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/TEST-f264c14d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TEST-f264c14d/inputs/seq.fa: 1 curr_seq: _GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA 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 180 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: 905 n_atoms_counter: 905 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 180.000000 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/TEST-f264c14d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TEST-f264c14d/inputs/seq.fa: 1 curr_seq: _GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA 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 180 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: 905 n_atoms_counter: 905 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 180.000000 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/TEST-f264c14d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TEST-f264c14d/inputs/seq.fa: 1 curr_seq: _GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA 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 180 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: 905 n_atoms_counter: 905 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 180.000000 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/TEST-f264c14d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TEST-f264c14d/inputs/seq.fa: 1 curr_seq: _GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA 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 180 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: 905 n_atoms_counter: 905 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 180.000000 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/TEST-f264c14d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TEST-f264c14d/inputs/seq.fa: 1 curr_seq: _GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA 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 180 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: 905 n_atoms_counter: 905 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 180.000000 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/TEST-f264c14d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TEST-f264c14d/inputs/seq.fa: 1 curr_seq: _GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA 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 180 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: 905 n_atoms_counter: 905 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 180.000000 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/TEST-f264c14d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TEST-f264c14d/inputs/seq.fa: 1 curr_seq: _GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA 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 180 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: 905 n_atoms_counter: 905 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 180.000000 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/TEST-f264c14d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TEST-f264c14d/inputs/seq.fa: 1 curr_seq: _GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA 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 180 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: 905 n_atoms_counter: 905 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 180.000000 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/TEST-f264c14d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TEST-f264c14d/inputs/seq.fa: 1 curr_seq: _GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA 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 180 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: 905 n_atoms_counter: 905 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 180.000000 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/TEST-f264c14d/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TEST-f264c14d/inputs/seq.fa: 1 curr_seq: _GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GUGACUUUCACUAUCAGCGAAUAUAAAAACAUGUCUACGAGGAUCAUGUACAAGGGAAAGCAUCUAAAGAAAGAAAGCAUUUGAGUUUUGGUCCCACCAUUCUUCCCAGGACAUUCAAAAAGGAAAAGAAGACAAGAAUAAUUCUGAUAUCGGCCAAGCAGGAAUAUGGAGCACAGUGUA 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 180 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: 905 n_atoms_counter: 905 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 180.000000 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: -714.885999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.885999 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -700.647551 where: bonds (distance) C4'-P energy: -174.884 bonds (distance) P-C4' energy: -161.932 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -151.177 tors. eta vs tors. theta energy: -80.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -714.885999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.885999 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -700.647551 where: bonds (distance) C4'-P energy: -174.884 bonds (distance) P-C4' energy: -161.932 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -151.177 tors. eta vs tors. theta energy: -80.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -714.885999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.885999 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -700.647551 where: bonds (distance) C4'-P energy: -174.884 bonds (distance) P-C4' energy: -161.932 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -151.177 tors. eta vs tors. theta energy: -80.494 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -714.885999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.885999 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -700.647551 where: bonds (distance) C4'-P energy: -174.884 bonds (distance) P-C4' energy: -161.932 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -151.177 tors. eta vs tors. theta energy: -80.494 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -714.885999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.885999 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -700.647551 where: bonds (distance) C4'-P energy: -174.884 bonds (distance) P-C4' energy: -161.932 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -151.177 tors. eta vs tors. theta energy: -80.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -714.885999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.885999 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -700.647551 where: bonds (distance) C4'-P energy: -174.884 bonds (distance) P-C4' energy: -161.932 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -151.177 tors. eta vs tors. theta energy: -80.494 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -714.885999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.885999 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -700.647551 where: bonds (distance) C4'-P energy: -174.884 bonds (distance) P-C4' energy: -161.932 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -151.177 tors. eta vs tors. theta energy: -80.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -714.885999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.885999 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -700.647551 where: bonds (distance) C4'-P energy: -174.884 bonds (distance) P-C4' energy: -161.932 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -151.177 tors. eta vs tors. theta energy: -80.494 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -714.885999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.885999 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -700.647551 where: bonds (distance) C4'-P energy: -174.884 bonds (distance) P-C4' energy: -161.932 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -151.177 tors. eta vs tors. theta energy: -80.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -714.885999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.885999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.885999 (E_RNA) where: Base-Base interactions energy: -14.238 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.000 local terms energy: -700.647551 where: bonds (distance) C4'-P energy: -174.884 bonds (distance) P-C4' energy: -161.932 flat angles C4'-P-C4' energy: -132.160 flat angles P-C4'-P energy: -151.177 tors. eta vs tors. theta energy: -80.494 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -902.510358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.510358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.510358 (E_RNA) where: Base-Base interactions energy: -375.455 where: short stacking energy: -360.237 Base-Backbone interact. energy: -1.088 local terms energy: -525.967338 where: bonds (distance) C4'-P energy: -107.268 bonds (distance) P-C4' energy: -131.382 flat angles C4'-P-C4' energy: -124.147 flat angles P-C4'-P energy: -72.903 tors. eta vs tors. theta energy: -90.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -833.020085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.020085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.020085 (E_RNA) where: Base-Base interactions energy: -348.424 where: short stacking energy: -346.526 Base-Backbone interact. energy: -0.223 local terms energy: -484.373119 where: bonds (distance) C4'-P energy: -109.107 bonds (distance) P-C4' energy: -105.987 flat angles C4'-P-C4' energy: -111.907 flat angles P-C4'-P energy: -70.521 tors. eta vs tors. theta energy: -86.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -769.573922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.573922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.573922 (E_RNA) where: Base-Base interactions energy: -290.485 where: short stacking energy: -283.141 Base-Backbone interact. energy: -0.261 local terms energy: -478.827369 where: bonds (distance) C4'-P energy: -124.824 bonds (distance) P-C4' energy: -109.924 flat angles C4'-P-C4' energy: -105.137 flat angles P-C4'-P energy: -65.172 tors. eta vs tors. theta energy: -73.771 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -716.138647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.138647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.138647 (E_RNA) where: Base-Base interactions energy: -24.348 where: short stacking energy: -24.348 Base-Backbone interact. energy: -0.000 local terms energy: -691.790037 where: bonds (distance) C4'-P energy: -172.363 bonds (distance) P-C4' energy: -154.400 flat angles C4'-P-C4' energy: -132.050 flat angles P-C4'-P energy: -150.198 tors. eta vs tors. theta energy: -82.779 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -715.275030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.275030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.275030 (E_RNA) where: Base-Base interactions energy: -47.112 where: short stacking energy: -47.112 Base-Backbone interact. energy: -0.000 local terms energy: -668.162381 where: bonds (distance) C4'-P energy: -157.437 bonds (distance) P-C4' energy: -143.479 flat angles C4'-P-C4' energy: -134.014 flat angles P-C4'-P energy: -146.390 tors. eta vs tors. theta energy: -86.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -713.936473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.936473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.936473 (E_RNA) where: Base-Base interactions energy: -15.947 where: short stacking energy: -15.947 Base-Backbone interact. energy: -0.000 local terms energy: -697.989517 where: bonds (distance) C4'-P energy: -174.412 bonds (distance) P-C4' energy: -159.907 flat angles C4'-P-C4' energy: -132.231 flat angles P-C4'-P energy: -150.801 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -716.182490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.182490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.182490 (E_RNA) where: Base-Base interactions energy: -24.992 where: short stacking energy: -24.992 Base-Backbone interact. energy: -0.000 local terms energy: -691.189927 where: bonds (distance) C4'-P energy: -168.580 bonds (distance) P-C4' energy: -157.576 flat angles C4'-P-C4' energy: -132.396 flat angles P-C4'-P energy: -149.878 tors. eta vs tors. theta energy: -82.760 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -718.590733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.590733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.590733 (E_RNA) where: Base-Base interactions energy: -54.980 where: short stacking energy: -54.980 Base-Backbone interact. energy: -0.000 local terms energy: -663.610717 where: bonds (distance) C4'-P energy: -152.825 bonds (distance) P-C4' energy: -148.061 flat angles C4'-P-C4' energy: -132.274 flat angles P-C4'-P energy: -144.318 tors. eta vs tors. theta energy: -86.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -716.909494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.909494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.909494 (E_RNA) where: Base-Base interactions energy: -39.633 where: short stacking energy: -39.633 Base-Backbone interact. energy: -0.000 local terms energy: -677.276644 where: bonds (distance) C4'-P energy: -159.994 bonds (distance) P-C4' energy: -152.751 flat angles C4'-P-C4' energy: -132.977 flat angles P-C4'-P energy: -148.191 tors. eta vs tors. theta energy: -83.364 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -713.970375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.970375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.970375 (E_RNA) where: Base-Base interactions energy: -16.116 where: short stacking energy: -16.116 Base-Backbone interact. energy: -0.000 local terms energy: -697.854543 where: bonds (distance) C4'-P energy: -174.412 bonds (distance) P-C4' energy: -159.907 flat angles C4'-P-C4' energy: -132.231 flat angles P-C4'-P energy: -150.666 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -930.503693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.503693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.503693 (E_RNA) where: Base-Base interactions energy: -415.498 where: short stacking energy: -363.070 Base-Backbone interact. energy: -1.305 local terms energy: -513.700655 where: bonds (distance) C4'-P energy: -117.199 bonds (distance) P-C4' energy: -108.757 flat angles C4'-P-C4' energy: -135.143 flat angles P-C4'-P energy: -58.618 tors. eta vs tors. theta energy: -93.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -853.115146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.115146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.115146 (E_RNA) where: Base-Base interactions energy: -375.880 where: short stacking energy: -302.505 Base-Backbone interact. energy: -1.748 local terms energy: -475.487266 where: bonds (distance) C4'-P energy: -106.760 bonds (distance) P-C4' energy: -114.685 flat angles C4'-P-C4' energy: -104.178 flat angles P-C4'-P energy: -71.680 tors. eta vs tors. theta energy: -78.183 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -787.409426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.409426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.409426 (E_RNA) where: Base-Base interactions energy: -352.171 where: short stacking energy: -312.112 Base-Backbone interact. energy: -1.515 local terms energy: -433.723363 where: bonds (distance) C4'-P energy: -89.576 bonds (distance) P-C4' energy: -107.254 flat angles C4'-P-C4' energy: -99.978 flat angles P-C4'-P energy: -71.485 tors. eta vs tors. theta energy: -65.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -693.352375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.352375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.352375 (E_RNA) where: Base-Base interactions energy: -285.597 where: short stacking energy: -261.620 Base-Backbone interact. energy: -1.438 local terms energy: -406.317902 where: bonds (distance) C4'-P energy: -105.549 bonds (distance) P-C4' energy: -104.257 flat angles C4'-P-C4' energy: -83.221 flat angles P-C4'-P energy: -68.044 tors. eta vs tors. theta energy: -45.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -692.411526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.411526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.411526 (E_RNA) where: Base-Base interactions energy: -297.551 where: short stacking energy: -217.195 Base-Backbone interact. energy: -1.201 local terms energy: -393.659333 where: bonds (distance) C4'-P energy: -88.523 bonds (distance) P-C4' energy: -116.497 flat angles C4'-P-C4' energy: -93.675 flat angles P-C4'-P energy: -60.154 tors. eta vs tors. theta energy: -34.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -620.355051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.355051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.355051 (E_RNA) where: Base-Base interactions energy: -260.668 where: short stacking energy: -217.961 Base-Backbone interact. energy: 0.572 local terms energy: -360.259636 where: bonds (distance) C4'-P energy: -101.409 bonds (distance) P-C4' energy: -100.420 flat angles C4'-P-C4' energy: -87.398 flat angles P-C4'-P energy: -50.054 tors. eta vs tors. theta energy: -20.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -589.753173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.753173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.753173 (E_RNA) where: Base-Base interactions energy: -237.691 where: short stacking energy: -175.666 Base-Backbone interact. energy: 5.262 local terms energy: -357.324487 where: bonds (distance) C4'-P energy: -96.815 bonds (distance) P-C4' energy: -96.925 flat angles C4'-P-C4' energy: -87.523 flat angles P-C4'-P energy: -52.774 tors. eta vs tors. theta energy: -23.288 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: 3 Temperature: 1.250000 Total energy: -520.550188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.550188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.550188 (E_RNA) where: Base-Base interactions energy: -190.731 where: short stacking energy: -151.652 Base-Backbone interact. energy: -1.299 local terms energy: -328.520032 where: bonds (distance) C4'-P energy: -90.586 bonds (distance) P-C4' energy: -103.538 flat angles C4'-P-C4' energy: -80.628 flat angles P-C4'-P energy: -44.933 tors. eta vs tors. theta energy: -8.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -458.647861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.647861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.647861 (E_RNA) where: Base-Base interactions energy: -136.967 where: short stacking energy: -106.328 Base-Backbone interact. energy: 1.579 local terms energy: -323.260391 where: bonds (distance) C4'-P energy: -90.362 bonds (distance) P-C4' energy: -107.420 flat angles C4'-P-C4' energy: -74.791 flat angles P-C4'-P energy: -67.401 tors. eta vs tors. theta energy: 16.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -418.699485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.699485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.699485 (E_RNA) where: Base-Base interactions energy: -150.542 where: short stacking energy: -100.201 Base-Backbone interact. energy: 10.284 local terms energy: -278.441883 where: bonds (distance) C4'-P energy: -83.090 bonds (distance) P-C4' energy: -97.696 flat angles C4'-P-C4' energy: -75.362 flat angles P-C4'-P energy: -59.385 tors. eta vs tors. theta energy: 37.091 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: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1063.907310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.907310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.907310 (E_RNA) where: Base-Base interactions energy: -558.323 where: short stacking energy: -354.119 Base-Backbone interact. energy: -3.435 local terms energy: -502.149026 where: bonds (distance) C4'-P energy: -112.227 bonds (distance) P-C4' energy: -114.660 flat angles C4'-P-C4' energy: -119.723 flat angles P-C4'-P energy: -74.477 tors. eta vs tors. theta energy: -81.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -891.886077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.886077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.886077 (E_RNA) where: Base-Base interactions energy: -423.261 where: short stacking energy: -382.961 Base-Backbone interact. energy: -0.925 local terms energy: -467.699747 where: bonds (distance) C4'-P energy: -103.629 bonds (distance) P-C4' energy: -114.005 flat angles C4'-P-C4' energy: -101.689 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: -89.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -857.305816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.305816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.305816 (E_RNA) where: Base-Base interactions energy: -407.092 where: short stacking energy: -314.063 Base-Backbone interact. energy: -1.950 local terms energy: -448.263476 where: bonds (distance) C4'-P energy: -111.270 bonds (distance) P-C4' energy: -98.455 flat angles C4'-P-C4' energy: -113.181 flat angles P-C4'-P energy: -64.591 tors. eta vs tors. theta energy: -60.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -725.474724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.474724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.474724 (E_RNA) where: Base-Base interactions energy: -294.478 where: short stacking energy: -257.632 Base-Backbone interact. energy: -0.523 local terms energy: -430.473912 where: bonds (distance) C4'-P energy: -96.084 bonds (distance) P-C4' energy: -112.486 flat angles C4'-P-C4' energy: -107.891 flat angles P-C4'-P energy: -62.189 tors. eta vs tors. theta energy: -51.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -683.823099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.823099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.823099 (E_RNA) where: Base-Base interactions energy: -294.721 where: short stacking energy: -236.470 Base-Backbone interact. energy: -1.549 local terms energy: -387.553320 where: bonds (distance) C4'-P energy: -104.463 bonds (distance) P-C4' energy: -104.426 flat angles C4'-P-C4' energy: -94.232 flat angles P-C4'-P energy: -59.451 tors. eta vs tors. theta energy: -24.980 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: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -615.449849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.449849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.449849 (E_RNA) where: Base-Base interactions energy: -274.861 where: short stacking energy: -206.084 Base-Backbone interact. energy: -0.117 local terms energy: -340.471915 where: bonds (distance) C4'-P energy: -96.051 bonds (distance) P-C4' energy: -105.871 flat angles C4'-P-C4' energy: -89.736 flat angles P-C4'-P energy: -37.042 tors. eta vs tors. theta energy: -11.772 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: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -599.026521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.026521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.026521 (E_RNA) where: Base-Base interactions energy: -243.096 where: short stacking energy: -188.089 Base-Backbone interact. energy: 0.037 local terms energy: -355.967409 where: bonds (distance) C4'-P energy: -99.472 bonds (distance) P-C4' energy: -91.253 flat angles C4'-P-C4' energy: -91.432 flat angles P-C4'-P energy: -52.193 tors. eta vs tors. theta energy: -21.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -495.190106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.190106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.190106 (E_RNA) where: Base-Base interactions energy: -170.764 where: short stacking energy: -143.948 Base-Backbone interact. energy: -0.798 local terms energy: -323.627914 where: bonds (distance) C4'-P energy: -105.860 bonds (distance) P-C4' energy: -97.343 flat angles C4'-P-C4' energy: -67.781 flat angles P-C4'-P energy: -54.337 tors. eta vs tors. theta energy: 1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -453.844320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.844320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.844320 (E_RNA) where: Base-Base interactions energy: -160.757 where: short stacking energy: -142.316 Base-Backbone interact. energy: 0.162 local terms energy: -293.249790 where: bonds (distance) C4'-P energy: -97.502 bonds (distance) P-C4' energy: -102.382 flat angles C4'-P-C4' energy: -61.394 flat angles P-C4'-P energy: -49.962 tors. eta vs tors. theta energy: 17.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -427.577086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.577086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.577086 (E_RNA) where: Base-Base interactions energy: -128.016 where: short stacking energy: -106.289 Base-Backbone interact. energy: -1.085 local terms energy: -298.476883 where: bonds (distance) C4'-P energy: -85.083 bonds (distance) P-C4' energy: -115.752 flat angles C4'-P-C4' energy: -67.307 flat angles P-C4'-P energy: -42.335 tors. eta vs tors. theta energy: 12.000 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: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1129.687038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.687038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.687038 (E_RNA) where: Base-Base interactions energy: -628.322 where: short stacking energy: -395.197 Base-Backbone interact. energy: -0.821 local terms energy: -500.543391 where: bonds (distance) C4'-P energy: -104.323 bonds (distance) P-C4' energy: -124.790 flat angles C4'-P-C4' energy: -113.819 flat angles P-C4'-P energy: -63.115 tors. eta vs tors. theta energy: -94.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -910.928766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.928766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.928766 (E_RNA) where: Base-Base interactions energy: -484.291 where: short stacking energy: -312.950 Base-Backbone interact. energy: -2.228 local terms energy: -424.409907 where: bonds (distance) C4'-P energy: -86.957 bonds (distance) P-C4' energy: -94.934 flat angles C4'-P-C4' energy: -109.847 flat angles P-C4'-P energy: -69.133 tors. eta vs tors. theta energy: -63.539 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: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -812.080633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.080633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.080633 (E_RNA) where: Base-Base interactions energy: -335.607 where: short stacking energy: -278.517 Base-Backbone interact. energy: -0.218 local terms energy: -476.255896 where: bonds (distance) C4'-P energy: -114.171 bonds (distance) P-C4' energy: -114.580 flat angles C4'-P-C4' energy: -116.622 flat angles P-C4'-P energy: -65.094 tors. eta vs tors. theta energy: -65.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -764.224950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.224950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.224950 (E_RNA) where: Base-Base interactions energy: -322.557 where: short stacking energy: -261.199 Base-Backbone interact. energy: -0.830 local terms energy: -440.837618 where: bonds (distance) C4'-P energy: -105.680 bonds (distance) P-C4' energy: -103.955 flat angles C4'-P-C4' energy: -105.325 flat angles P-C4'-P energy: -64.801 tors. eta vs tors. theta energy: -61.076 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: 5 Temperature: 1.100000 Total energy: -698.782646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.782646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.782646 (E_RNA) where: Base-Base interactions energy: -313.220 where: short stacking energy: -227.178 Base-Backbone interact. energy: 1.761 local terms energy: -387.323709 where: bonds (distance) C4'-P energy: -89.772 bonds (distance) P-C4' energy: -114.919 flat angles C4'-P-C4' energy: -102.554 flat angles P-C4'-P energy: -62.972 tors. eta vs tors. theta energy: -17.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -642.443536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.443536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.443536 (E_RNA) where: Base-Base interactions energy: -243.301 where: short stacking energy: -192.938 Base-Backbone interact. energy: 3.882 local terms energy: -403.024627 where: bonds (distance) C4'-P energy: -94.328 bonds (distance) P-C4' energy: -111.133 flat angles C4'-P-C4' energy: -106.827 flat angles P-C4'-P energy: -63.910 tors. eta vs tors. theta energy: -26.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -633.521473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.521473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.521473 (E_RNA) where: Base-Base interactions energy: -269.561 where: short stacking energy: -185.271 Base-Backbone interact. energy: -1.578 local terms energy: -362.382915 where: bonds (distance) C4'-P energy: -93.662 bonds (distance) P-C4' energy: -95.119 flat angles C4'-P-C4' energy: -98.616 flat angles P-C4'-P energy: -54.339 tors. eta vs tors. theta energy: -20.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -530.777022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.777022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.777022 (E_RNA) where: Base-Base interactions energy: -236.336 where: short stacking energy: -158.901 Base-Backbone interact. energy: 0.973 local terms energy: -295.413899 where: bonds (distance) C4'-P energy: -71.336 bonds (distance) P-C4' energy: -96.364 flat angles C4'-P-C4' energy: -85.896 flat angles P-C4'-P energy: -42.579 tors. eta vs tors. theta energy: 0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -442.735942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.735942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.735942 (E_RNA) where: Base-Base interactions energy: -136.303 where: short stacking energy: -104.806 Base-Backbone interact. energy: -2.297 local terms energy: -304.135886 where: bonds (distance) C4'-P energy: -99.808 bonds (distance) P-C4' energy: -91.508 flat angles C4'-P-C4' energy: -75.851 flat angles P-C4'-P energy: -47.742 tors. eta vs tors. theta energy: 10.773 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: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -422.052746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.052746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.052746 (E_RNA) where: Base-Base interactions energy: -110.227 where: short stacking energy: -80.294 Base-Backbone interact. energy: -0.412 local terms energy: -311.413872 where: bonds (distance) C4'-P energy: -89.339 bonds (distance) P-C4' energy: -105.178 flat angles C4'-P-C4' energy: -86.041 flat angles P-C4'-P energy: -55.241 tors. eta vs tors. theta energy: 24.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1135.992525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.992525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.992525 (E_RNA) where: Base-Base interactions energy: -642.679 where: short stacking energy: -387.738 Base-Backbone interact. energy: -1.555 local terms energy: -491.758384 where: bonds (distance) C4'-P energy: -105.394 bonds (distance) P-C4' energy: -115.281 flat angles C4'-P-C4' energy: -112.194 flat angles P-C4'-P energy: -71.348 tors. eta vs tors. theta energy: -87.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -959.367379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.367379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.367379 (E_RNA) where: Base-Base interactions energy: -460.389 where: short stacking energy: -338.833 Base-Backbone interact. energy: 2.737 local terms energy: -501.714559 where: bonds (distance) C4'-P energy: -96.846 bonds (distance) P-C4' energy: -118.619 flat angles C4'-P-C4' energy: -121.259 flat angles P-C4'-P energy: -76.105 tors. eta vs tors. theta energy: -88.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -910.172029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.172029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.172029 (E_RNA) where: Base-Base interactions energy: -438.022 where: short stacking energy: -318.899 Base-Backbone interact. energy: -2.840 local terms energy: -469.310106 where: bonds (distance) C4'-P energy: -97.988 bonds (distance) P-C4' energy: -105.782 flat angles C4'-P-C4' energy: -109.888 flat angles P-C4'-P energy: -70.740 tors. eta vs tors. theta energy: -84.913 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: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -822.321540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.321540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.321540 (E_RNA) where: Base-Base interactions energy: -403.041 where: short stacking energy: -278.608 Base-Backbone interact. energy: 1.012 local terms energy: -420.292429 where: bonds (distance) C4'-P energy: -106.310 bonds (distance) P-C4' energy: -106.644 flat angles C4'-P-C4' energy: -96.736 flat angles P-C4'-P energy: -62.294 tors. eta vs tors. theta energy: -48.308 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: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -714.764304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.764304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.764304 (E_RNA) where: Base-Base interactions energy: -342.647 where: short stacking energy: -270.272 Base-Backbone interact. energy: -2.518 local terms energy: -369.598960 where: bonds (distance) C4'-P energy: -84.530 bonds (distance) P-C4' energy: -70.570 flat angles C4'-P-C4' energy: -101.044 flat angles P-C4'-P energy: -65.636 tors. eta vs tors. theta energy: -47.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -665.975431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.975431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.975431 (E_RNA) where: Base-Base interactions energy: -277.239 where: short stacking energy: -213.858 Base-Backbone interact. energy: 0.181 local terms energy: -388.917539 where: bonds (distance) C4'-P energy: -92.650 bonds (distance) P-C4' energy: -107.469 flat angles C4'-P-C4' energy: -102.093 flat angles P-C4'-P energy: -52.537 tors. eta vs tors. theta energy: -34.169 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: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -672.502016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.502016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.502016 (E_RNA) where: Base-Base interactions energy: -332.580 where: short stacking energy: -236.183 Base-Backbone interact. energy: 11.543 local terms energy: -351.464384 where: bonds (distance) C4'-P energy: -86.232 bonds (distance) P-C4' energy: -104.602 flat angles C4'-P-C4' energy: -90.777 flat angles P-C4'-P energy: -35.299 tors. eta vs tors. theta energy: -34.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -576.938169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.938169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.938169 (E_RNA) where: Base-Base interactions energy: -228.889 where: short stacking energy: -163.242 Base-Backbone interact. energy: -2.161 local terms energy: -345.888145 where: bonds (distance) C4'-P energy: -106.256 bonds (distance) P-C4' energy: -99.512 flat angles C4'-P-C4' energy: -93.419 flat angles P-C4'-P energy: -55.122 tors. eta vs tors. theta energy: 8.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -452.658659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.658659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.658659 (E_RNA) where: Base-Base interactions energy: -147.219 where: short stacking energy: -126.456 Base-Backbone interact. energy: 5.855 local terms energy: -311.294622 where: bonds (distance) C4'-P energy: -79.573 bonds (distance) P-C4' energy: -107.254 flat angles C4'-P-C4' energy: -78.951 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -402.481161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.481161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.481161 (E_RNA) where: Base-Base interactions energy: -126.790 where: short stacking energy: -97.684 Base-Backbone interact. energy: -2.978 local terms energy: -272.712688 where: bonds (distance) C4'-P energy: -87.251 bonds (distance) P-C4' energy: -95.604 flat angles C4'-P-C4' energy: -57.740 flat angles P-C4'-P energy: -53.907 tors. eta vs tors. theta energy: 21.789 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: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1175.308828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.308828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.308828 (E_RNA) where: Base-Base interactions energy: -674.419 where: short stacking energy: -397.593 Base-Backbone interact. energy: -1.873 local terms energy: -499.016717 where: bonds (distance) C4'-P energy: -117.560 bonds (distance) P-C4' energy: -111.135 flat angles C4'-P-C4' energy: -111.675 flat angles P-C4'-P energy: -73.724 tors. eta vs tors. theta energy: -84.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -976.194950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.194950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.194950 (E_RNA) where: Base-Base interactions energy: -460.637 where: short stacking energy: -321.098 Base-Backbone interact. energy: -0.712 local terms energy: -514.845505 where: bonds (distance) C4'-P energy: -115.684 bonds (distance) P-C4' energy: -124.519 flat angles C4'-P-C4' energy: -104.462 flat angles P-C4'-P energy: -88.173 tors. eta vs tors. theta energy: -82.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -981.753830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.753830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.753830 (E_RNA) where: Base-Base interactions energy: -521.505 where: short stacking energy: -331.717 Base-Backbone interact. energy: 0.608 local terms energy: -460.857196 where: bonds (distance) C4'-P energy: -108.075 bonds (distance) P-C4' energy: -108.180 flat angles C4'-P-C4' energy: -109.880 flat angles P-C4'-P energy: -57.200 tors. eta vs tors. theta energy: -77.522 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: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -967.209150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.209150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.209150 (E_RNA) where: Base-Base interactions energy: -506.709 where: short stacking energy: -312.630 Base-Backbone interact. energy: 0.766 local terms energy: -461.266115 where: bonds (distance) C4'-P energy: -101.247 bonds (distance) P-C4' energy: -106.027 flat angles C4'-P-C4' energy: -116.478 flat angles P-C4'-P energy: -63.670 tors. eta vs tors. theta energy: -73.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -756.444544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.444544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.444544 (E_RNA) where: Base-Base interactions energy: -367.271 where: short stacking energy: -236.732 Base-Backbone interact. energy: -2.155 local terms energy: -387.018703 where: bonds (distance) C4'-P energy: -100.860 bonds (distance) P-C4' energy: -116.203 flat angles C4'-P-C4' energy: -98.441 flat angles P-C4'-P energy: -48.321 tors. eta vs tors. theta energy: -23.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -738.026138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.026138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.026138 (E_RNA) where: Base-Base interactions energy: -341.497 where: short stacking energy: -195.537 Base-Backbone interact. energy: -0.535 local terms energy: -395.994424 where: bonds (distance) C4'-P energy: -91.071 bonds (distance) P-C4' energy: -118.651 flat angles C4'-P-C4' energy: -95.875 flat angles P-C4'-P energy: -64.001 tors. eta vs tors. theta energy: -26.397 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: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -574.834561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.834561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.834561 (E_RNA) where: Base-Base interactions energy: -233.843 where: short stacking energy: -177.237 Base-Backbone interact. energy: 2.399 local terms energy: -343.391049 where: bonds (distance) C4'-P energy: -100.286 bonds (distance) P-C4' energy: -100.390 flat angles C4'-P-C4' energy: -94.698 flat angles P-C4'-P energy: -51.647 tors. eta vs tors. theta energy: 3.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -575.790633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.790633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.790633 (E_RNA) where: Base-Base interactions energy: -232.110 where: short stacking energy: -151.514 Base-Backbone interact. energy: 0.992 local terms energy: -344.671881 where: bonds (distance) C4'-P energy: -91.653 bonds (distance) P-C4' energy: -92.708 flat angles C4'-P-C4' energy: -90.756 flat angles P-C4'-P energy: -66.111 tors. eta vs tors. theta energy: -3.444 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: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -472.685888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.685888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.685888 (E_RNA) where: Base-Base interactions energy: -163.314 where: short stacking energy: -140.699 Base-Backbone interact. energy: 0.344 local terms energy: -309.716116 where: bonds (distance) C4'-P energy: -97.335 bonds (distance) P-C4' energy: -88.446 flat angles C4'-P-C4' energy: -82.316 flat angles P-C4'-P energy: -45.828 tors. eta vs tors. theta energy: 4.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -414.127757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.127757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.127757 (E_RNA) where: Base-Base interactions energy: -133.836 where: short stacking energy: -87.974 Base-Backbone interact. energy: 5.699 local terms energy: -285.990239 where: bonds (distance) C4'-P energy: -87.694 bonds (distance) P-C4' energy: -98.102 flat angles C4'-P-C4' energy: -70.230 flat angles P-C4'-P energy: -48.721 tors. eta vs tors. theta energy: 18.758 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: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1151.295845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.295845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.295845 (E_RNA) where: Base-Base interactions energy: -631.193 where: short stacking energy: -392.587 Base-Backbone interact. energy: -1.682 local terms energy: -518.420844 where: bonds (distance) C4'-P energy: -118.238 bonds (distance) P-C4' energy: -110.894 flat angles C4'-P-C4' energy: -119.287 flat angles P-C4'-P energy: -70.269 tors. eta vs tors. theta energy: -99.732 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: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1056.155346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.155346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.155346 (E_RNA) where: Base-Base interactions energy: -552.557 where: short stacking energy: -384.941 Base-Backbone interact. energy: 2.421 local terms energy: -506.019617 where: bonds (distance) C4'-P energy: -114.645 bonds (distance) P-C4' energy: -109.028 flat angles C4'-P-C4' energy: -109.594 flat angles P-C4'-P energy: -79.236 tors. eta vs tors. theta energy: -93.517 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: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1057.368870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.368870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.368870 (E_RNA) where: Base-Base interactions energy: -596.647 where: short stacking energy: -310.185 Base-Backbone interact. energy: -1.002 local terms energy: -459.719397 where: bonds (distance) C4'-P energy: -104.776 bonds (distance) P-C4' energy: -106.803 flat angles C4'-P-C4' energy: -113.251 flat angles P-C4'-P energy: -71.785 tors. eta vs tors. theta energy: -63.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -936.611143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.611143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.611143 (E_RNA) where: Base-Base interactions energy: -505.636 where: short stacking energy: -285.009 Base-Backbone interact. energy: -3.564 local terms energy: -427.410543 where: bonds (distance) C4'-P energy: -100.296 bonds (distance) P-C4' energy: -101.965 flat angles C4'-P-C4' energy: -107.646 flat angles P-C4'-P energy: -57.922 tors. eta vs tors. theta energy: -59.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -752.642849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.642849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.642849 (E_RNA) where: Base-Base interactions energy: -382.034 where: short stacking energy: -216.360 Base-Backbone interact. energy: 3.706 local terms energy: -374.315311 where: bonds (distance) C4'-P energy: -84.447 bonds (distance) P-C4' energy: -121.973 flat angles C4'-P-C4' energy: -85.571 flat angles P-C4'-P energy: -56.594 tors. eta vs tors. theta energy: -25.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -802.895538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.895538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.895538 (E_RNA) where: Base-Base interactions energy: -414.827 where: short stacking energy: -222.680 Base-Backbone interact. energy: 1.888 local terms energy: -389.956327 where: bonds (distance) C4'-P energy: -105.162 bonds (distance) P-C4' energy: -101.014 flat angles C4'-P-C4' energy: -86.996 flat angles P-C4'-P energy: -60.877 tors. eta vs tors. theta energy: -35.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -561.831359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.831359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.831359 (E_RNA) where: Base-Base interactions energy: -242.696 where: short stacking energy: -170.027 Base-Backbone interact. energy: 1.970 local terms energy: -321.105086 where: bonds (distance) C4'-P energy: -103.101 bonds (distance) P-C4' energy: -92.580 flat angles C4'-P-C4' energy: -69.194 flat angles P-C4'-P energy: -60.414 tors. eta vs tors. theta energy: 4.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -512.079213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.079213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.079213 (E_RNA) where: Base-Base interactions energy: -189.800 where: short stacking energy: -140.342 Base-Backbone interact. energy: -1.309 local terms energy: -320.970809 where: bonds (distance) C4'-P energy: -100.645 bonds (distance) P-C4' energy: -96.028 flat angles C4'-P-C4' energy: -89.021 flat angles P-C4'-P energy: -45.786 tors. eta vs tors. theta energy: 10.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -443.404781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.404781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.404781 (E_RNA) where: Base-Base interactions energy: -166.369 where: short stacking energy: -137.773 Base-Backbone interact. energy: -0.558 local terms energy: -276.478077 where: bonds (distance) C4'-P energy: -84.520 bonds (distance) P-C4' energy: -96.372 flat angles C4'-P-C4' energy: -63.996 flat angles P-C4'-P energy: -46.956 tors. eta vs tors. theta energy: 15.366 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: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -437.004372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.004372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.004372 (E_RNA) where: Base-Base interactions energy: -135.489 where: short stacking energy: -115.747 Base-Backbone interact. energy: 0.664 local terms energy: -302.179625 where: bonds (distance) C4'-P energy: -85.382 bonds (distance) P-C4' energy: -99.987 flat angles C4'-P-C4' energy: -94.331 flat angles P-C4'-P energy: -42.123 tors. eta vs tors. theta energy: 19.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1222.370677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.370677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.370677 (E_RNA) where: Base-Base interactions energy: -692.215 where: short stacking energy: -430.566 Base-Backbone interact. energy: 0.437 local terms energy: -530.592500 where: bonds (distance) C4'-P energy: -94.505 bonds (distance) P-C4' energy: -124.662 flat angles C4'-P-C4' energy: -123.797 flat angles P-C4'-P energy: -79.798 tors. eta vs tors. theta energy: -107.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1168.685167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.685167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.685167 (E_RNA) where: Base-Base interactions energy: -699.185 where: short stacking energy: -380.515 Base-Backbone interact. energy: 0.920 local terms energy: -470.419996 where: bonds (distance) C4'-P energy: -116.450 bonds (distance) P-C4' energy: -87.352 flat angles C4'-P-C4' energy: -109.210 flat angles P-C4'-P energy: -73.041 tors. eta vs tors. theta energy: -84.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1040.160229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.160229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.160229 (E_RNA) where: Base-Base interactions energy: -576.124 where: short stacking energy: -327.732 Base-Backbone interact. energy: -0.767 local terms energy: -463.268815 where: bonds (distance) C4'-P energy: -104.556 bonds (distance) P-C4' energy: -112.726 flat angles C4'-P-C4' energy: -107.127 flat angles P-C4'-P energy: -80.057 tors. eta vs tors. theta energy: -58.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -966.069736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.069736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.069736 (E_RNA) where: Base-Base interactions energy: -504.121 where: short stacking energy: -300.211 Base-Backbone interact. energy: 0.158 local terms energy: -462.106607 where: bonds (distance) C4'-P energy: -110.735 bonds (distance) P-C4' energy: -110.048 flat angles C4'-P-C4' energy: -119.365 flat angles P-C4'-P energy: -66.237 tors. eta vs tors. theta energy: -55.723 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: 6 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -804.186707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.186707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.186707 (E_RNA) where: Base-Base interactions energy: -405.745 where: short stacking energy: -218.022 Base-Backbone interact. energy: -2.685 local terms energy: -395.756344 where: bonds (distance) C4'-P energy: -105.857 bonds (distance) P-C4' energy: -104.478 flat angles C4'-P-C4' energy: -90.185 flat angles P-C4'-P energy: -63.898 tors. eta vs tors. theta energy: -31.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -846.495872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.495872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.495872 (E_RNA) where: Base-Base interactions energy: -469.139 where: short stacking energy: -246.986 Base-Backbone interact. energy: -2.511 local terms energy: -374.845621 where: bonds (distance) C4'-P energy: -86.810 bonds (distance) P-C4' energy: -102.776 flat angles C4'-P-C4' energy: -84.040 flat angles P-C4'-P energy: -64.518 tors. eta vs tors. theta energy: -36.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -586.671445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.671445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.671445 (E_RNA) where: Base-Base interactions energy: -239.592 where: short stacking energy: -181.281 Base-Backbone interact. energy: 0.663 local terms energy: -347.742074 where: bonds (distance) C4'-P energy: -105.048 bonds (distance) P-C4' energy: -96.133 flat angles C4'-P-C4' energy: -87.684 flat angles P-C4'-P energy: -53.235 tors. eta vs tors. theta energy: -5.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -549.542664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.542664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.542664 (E_RNA) where: Base-Base interactions energy: -236.398 where: short stacking energy: -196.787 Base-Backbone interact. energy: 5.076 local terms energy: -318.220693 where: bonds (distance) C4'-P energy: -88.666 bonds (distance) P-C4' energy: -92.965 flat angles C4'-P-C4' energy: -82.526 flat angles P-C4'-P energy: -43.650 tors. eta vs tors. theta energy: -10.415 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: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -507.109340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.109340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.109340 (E_RNA) where: Base-Base interactions energy: -199.078 where: short stacking energy: -153.313 Base-Backbone interact. energy: 5.218 local terms energy: -313.248778 where: bonds (distance) C4'-P energy: -104.690 bonds (distance) P-C4' energy: -80.694 flat angles C4'-P-C4' energy: -72.737 flat angles P-C4'-P energy: -53.091 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -395.594130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.594130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.594130 (E_RNA) where: Base-Base interactions energy: -137.359 where: short stacking energy: -110.855 Base-Backbone interact. energy: 3.746 local terms energy: -261.981346 where: bonds (distance) C4'-P energy: -76.150 bonds (distance) P-C4' energy: -113.727 flat angles C4'-P-C4' energy: -49.771 flat angles P-C4'-P energy: -43.722 tors. eta vs tors. theta energy: 21.390 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: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1276.398830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.398830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.398830 (E_RNA) where: Base-Base interactions energy: -766.579 where: short stacking energy: -419.342 Base-Backbone interact. energy: -2.040 local terms energy: -507.779995 where: bonds (distance) C4'-P energy: -104.893 bonds (distance) P-C4' energy: -112.097 flat angles C4'-P-C4' energy: -109.685 flat angles P-C4'-P energy: -70.517 tors. eta vs tors. theta energy: -110.588 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: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1222.066228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.066228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.066228 (E_RNA) where: Base-Base interactions energy: -717.673 where: short stacking energy: -372.911 Base-Backbone interact. energy: -0.917 local terms energy: -503.476510 where: bonds (distance) C4'-P energy: -112.557 bonds (distance) P-C4' energy: -113.319 flat angles C4'-P-C4' energy: -118.886 flat angles P-C4'-P energy: -74.679 tors. eta vs tors. theta energy: -84.036 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: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1059.746337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.746337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.746337 (E_RNA) where: Base-Base interactions energy: -585.410 where: short stacking energy: -335.092 Base-Backbone interact. energy: -0.035 local terms energy: -474.300852 where: bonds (distance) C4'-P energy: -96.071 bonds (distance) P-C4' energy: -123.758 flat angles C4'-P-C4' energy: -111.102 flat angles P-C4'-P energy: -64.887 tors. eta vs tors. theta energy: -78.483 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: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -990.643999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.643999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.643999 (E_RNA) where: Base-Base interactions energy: -531.042 where: short stacking energy: -309.224 Base-Backbone interact. energy: -1.992 local terms energy: -457.609698 where: bonds (distance) C4'-P energy: -97.879 bonds (distance) P-C4' energy: -98.214 flat angles C4'-P-C4' energy: -93.297 flat angles P-C4'-P energy: -82.313 tors. eta vs tors. theta energy: -85.907 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: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -857.645762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.645762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.645762 (E_RNA) where: Base-Base interactions energy: -453.530 where: short stacking energy: -263.561 Base-Backbone interact. energy: -1.639 local terms energy: -402.476434 where: bonds (distance) C4'-P energy: -97.008 bonds (distance) P-C4' energy: -87.989 flat angles C4'-P-C4' energy: -107.507 flat angles P-C4'-P energy: -65.352 tors. eta vs tors. theta energy: -44.621 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: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -749.392297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.392297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.392297 (E_RNA) where: Base-Base interactions energy: -392.904 where: short stacking energy: -210.634 Base-Backbone interact. energy: -1.445 local terms energy: -355.043284 where: bonds (distance) C4'-P energy: -94.994 bonds (distance) P-C4' energy: -100.843 flat angles C4'-P-C4' energy: -86.984 flat angles P-C4'-P energy: -45.151 tors. eta vs tors. theta energy: -27.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -580.774967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.774967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.774967 (E_RNA) where: Base-Base interactions energy: -279.384 where: short stacking energy: -164.473 Base-Backbone interact. energy: 2.862 local terms energy: -304.253174 where: bonds (distance) C4'-P energy: -99.442 bonds (distance) P-C4' energy: -88.928 flat angles C4'-P-C4' energy: -78.779 flat angles P-C4'-P energy: -37.475 tors. eta vs tors. theta energy: 0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -559.714869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.714869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.714869 (E_RNA) where: Base-Base interactions energy: -253.443 where: short stacking energy: -153.028 Base-Backbone interact. energy: -1.282 local terms energy: -304.989293 where: bonds (distance) C4'-P energy: -76.923 bonds (distance) P-C4' energy: -105.689 flat angles C4'-P-C4' energy: -95.203 flat angles P-C4'-P energy: -48.474 tors. eta vs tors. theta energy: 21.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -473.149005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.149005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.149005 (E_RNA) where: Base-Base interactions energy: -192.723 where: short stacking energy: -129.749 Base-Backbone interact. energy: 2.972 local terms energy: -283.398152 where: bonds (distance) C4'-P energy: -94.231 bonds (distance) P-C4' energy: -108.046 flat angles C4'-P-C4' energy: -74.794 flat angles P-C4'-P energy: -25.489 tors. eta vs tors. theta energy: 19.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -444.074507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.074507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.074507 (E_RNA) where: Base-Base interactions energy: -172.554 where: short stacking energy: -130.968 Base-Backbone interact. energy: -0.856 local terms energy: -270.664689 where: bonds (distance) C4'-P energy: -84.690 bonds (distance) P-C4' energy: -92.733 flat angles C4'-P-C4' energy: -61.730 flat angles P-C4'-P energy: -55.025 tors. eta vs tors. theta energy: 23.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1284.003609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.003609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.003609 (E_RNA) where: Base-Base interactions energy: -731.563 where: short stacking energy: -424.186 Base-Backbone interact. energy: -4.574 local terms energy: -547.866410 where: bonds (distance) C4'-P energy: -102.495 bonds (distance) P-C4' energy: -117.581 flat angles C4'-P-C4' energy: -126.526 flat angles P-C4'-P energy: -82.838 tors. eta vs tors. theta energy: -118.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1228.149728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.149728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.149728 (E_RNA) where: Base-Base interactions energy: -737.102 where: short stacking energy: -348.160 Base-Backbone interact. energy: -4.410 local terms energy: -486.637058 where: bonds (distance) C4'-P energy: -105.403 bonds (distance) P-C4' energy: -122.009 flat angles C4'-P-C4' energy: -111.640 flat angles P-C4'-P energy: -65.129 tors. eta vs tors. theta energy: -82.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1095.370578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.370578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.370578 (E_RNA) where: Base-Base interactions energy: -607.187 where: short stacking energy: -343.578 Base-Backbone interact. energy: 1.484 local terms energy: -489.667644 where: bonds (distance) C4'-P energy: -105.251 bonds (distance) P-C4' energy: -113.594 flat angles C4'-P-C4' energy: -117.881 flat angles P-C4'-P energy: -71.744 tors. eta vs tors. theta energy: -81.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -978.350745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.350745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.350745 (E_RNA) where: Base-Base interactions energy: -536.384 where: short stacking energy: -320.785 Base-Backbone interact. energy: -0.933 local terms energy: -441.033866 where: bonds (distance) C4'-P energy: -96.778 bonds (distance) P-C4' energy: -106.298 flat angles C4'-P-C4' energy: -102.995 flat angles P-C4'-P energy: -59.860 tors. eta vs tors. theta energy: -75.102 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: 7 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -869.535337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.535337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.535337 (E_RNA) where: Base-Base interactions energy: -463.820 where: short stacking energy: -287.041 Base-Backbone interact. energy: 1.048 local terms energy: -406.763634 where: bonds (distance) C4'-P energy: -101.449 bonds (distance) P-C4' energy: -84.882 flat angles C4'-P-C4' energy: -99.195 flat angles P-C4'-P energy: -70.622 tors. eta vs tors. theta energy: -50.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -702.889489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.889489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.889489 (E_RNA) where: Base-Base interactions energy: -356.173 where: short stacking energy: -207.274 Base-Backbone interact. energy: -0.934 local terms energy: -345.782585 where: bonds (distance) C4'-P energy: -96.268 bonds (distance) P-C4' energy: -106.627 flat angles C4'-P-C4' energy: -87.976 flat angles P-C4'-P energy: -37.818 tors. eta vs tors. theta energy: -17.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -644.410515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.410515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.410515 (E_RNA) where: Base-Base interactions energy: -312.926 where: short stacking energy: -206.181 Base-Backbone interact. energy: 1.389 local terms energy: -332.873343 where: bonds (distance) C4'-P energy: -71.049 bonds (distance) P-C4' energy: -106.745 flat angles C4'-P-C4' energy: -90.156 flat angles P-C4'-P energy: -52.956 tors. eta vs tors. theta energy: -11.967 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: 5 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -601.943086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.943086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.943086 (E_RNA) where: Base-Base interactions energy: -278.389 where: short stacking energy: -174.183 Base-Backbone interact. energy: -0.665 local terms energy: -322.888923 where: bonds (distance) C4'-P energy: -83.858 bonds (distance) P-C4' energy: -99.761 flat angles C4'-P-C4' energy: -93.934 flat angles P-C4'-P energy: -42.829 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: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -493.175206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.175206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.175206 (E_RNA) where: Base-Base interactions energy: -184.127 where: short stacking energy: -160.820 Base-Backbone interact. energy: 6.908 local terms energy: -315.955874 where: bonds (distance) C4'-P energy: -99.212 bonds (distance) P-C4' energy: -84.765 flat angles C4'-P-C4' energy: -89.558 flat angles P-C4'-P energy: -52.690 tors. eta vs tors. theta energy: 10.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -482.759449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.759449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.759449 (E_RNA) where: Base-Base interactions energy: -181.528 where: short stacking energy: -115.300 Base-Backbone interact. energy: 1.140 local terms energy: -302.371708 where: bonds (distance) C4'-P energy: -96.920 bonds (distance) P-C4' energy: -95.734 flat angles C4'-P-C4' energy: -81.253 flat angles P-C4'-P energy: -50.669 tors. eta vs tors. theta energy: 22.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1258.248634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.248634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.248634 (E_RNA) where: Base-Base interactions energy: -738.859 where: short stacking energy: -377.392 Base-Backbone interact. energy: -1.110 local terms energy: -518.279913 where: bonds (distance) C4'-P energy: -122.157 bonds (distance) P-C4' energy: -108.045 flat angles C4'-P-C4' energy: -107.736 flat angles P-C4'-P energy: -77.911 tors. eta vs tors. theta energy: -102.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1255.513809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.513809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.513809 (E_RNA) where: Base-Base interactions energy: -780.948 where: short stacking energy: -405.844 Base-Backbone interact. energy: -1.299 local terms energy: -473.266983 where: bonds (distance) C4'-P energy: -113.589 bonds (distance) P-C4' energy: -99.745 flat angles C4'-P-C4' energy: -105.743 flat angles P-C4'-P energy: -73.084 tors. eta vs tors. theta energy: -81.106 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: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1143.974528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.974528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.974528 (E_RNA) where: Base-Base interactions energy: -677.379 where: short stacking energy: -361.500 Base-Backbone interact. energy: -1.522 local terms energy: -465.073874 where: bonds (distance) C4'-P energy: -101.989 bonds (distance) P-C4' energy: -106.586 flat angles C4'-P-C4' energy: -106.940 flat angles P-C4'-P energy: -75.451 tors. eta vs tors. theta energy: -74.109 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: 4, replica: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -994.348009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.348009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.348009 (E_RNA) where: Base-Base interactions energy: -572.702 where: short stacking energy: -301.238 Base-Backbone interact. energy: -1.997 local terms energy: -419.649681 where: bonds (distance) C4'-P energy: -91.372 bonds (distance) P-C4' energy: -110.573 flat angles C4'-P-C4' energy: -102.370 flat angles P-C4'-P energy: -64.718 tors. eta vs tors. theta energy: -50.617 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: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -862.725222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.725222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.725222 (E_RNA) where: Base-Base interactions energy: -449.218 where: short stacking energy: -278.793 Base-Backbone interact. energy: -1.543 local terms energy: -411.964035 where: bonds (distance) C4'-P energy: -114.797 bonds (distance) P-C4' energy: -111.570 flat angles C4'-P-C4' energy: -77.953 flat angles P-C4'-P energy: -74.296 tors. eta vs tors. theta energy: -33.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -743.089914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.089914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.089914 (E_RNA) where: Base-Base interactions energy: -366.237 where: short stacking energy: -198.403 Base-Backbone interact. energy: 1.733 local terms energy: -378.586559 where: bonds (distance) C4'-P energy: -108.560 bonds (distance) P-C4' energy: -104.998 flat angles C4'-P-C4' energy: -89.357 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -13.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -679.046780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.046780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.046780 (E_RNA) where: Base-Base interactions energy: -300.374 where: short stacking energy: -188.896 Base-Backbone interact. energy: -2.635 local terms energy: -376.037469 where: bonds (distance) C4'-P energy: -91.235 bonds (distance) P-C4' energy: -120.328 flat angles C4'-P-C4' energy: -82.754 flat angles P-C4'-P energy: -57.667 tors. eta vs tors. theta energy: -24.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -570.633689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.633689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.633689 (E_RNA) where: Base-Base interactions energy: -247.231 where: short stacking energy: -180.294 Base-Backbone interact. energy: -0.743 local terms energy: -322.660345 where: bonds (distance) C4'-P energy: -93.410 bonds (distance) P-C4' energy: -96.888 flat angles C4'-P-C4' energy: -92.907 flat angles P-C4'-P energy: -22.257 tors. eta vs tors. theta energy: -17.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -509.120443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.120443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.120443 (E_RNA) where: Base-Base interactions energy: -222.652 where: short stacking energy: -150.667 Base-Backbone interact. energy: -1.932 local terms energy: -284.536638 where: bonds (distance) C4'-P energy: -87.260 bonds (distance) P-C4' energy: -90.294 flat angles C4'-P-C4' energy: -78.955 flat angles P-C4'-P energy: -42.692 tors. eta vs tors. theta energy: 14.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -417.031235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.031235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.031235 (E_RNA) where: Base-Base interactions energy: -154.290 where: short stacking energy: -126.180 Base-Backbone interact. energy: -0.343 local terms energy: -262.398437 where: bonds (distance) C4'-P energy: -83.582 bonds (distance) P-C4' energy: -99.084 flat angles C4'-P-C4' energy: -76.843 flat angles P-C4'-P energy: -33.983 tors. eta vs tors. theta energy: 31.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1243.211624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.211624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.211624 (E_RNA) where: Base-Base interactions energy: -706.660 where: short stacking energy: -399.595 Base-Backbone interact. energy: -3.810 local terms energy: -532.741106 where: bonds (distance) C4'-P energy: -108.634 bonds (distance) P-C4' energy: -124.793 flat angles C4'-P-C4' energy: -116.722 flat angles P-C4'-P energy: -76.564 tors. eta vs tors. theta energy: -106.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1295.835922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.835922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.835922 (E_RNA) where: Base-Base interactions energy: -803.882 where: short stacking energy: -400.177 Base-Backbone interact. energy: -2.441 local terms energy: -489.512518 where: bonds (distance) C4'-P energy: -92.266 bonds (distance) P-C4' energy: -117.060 flat angles C4'-P-C4' energy: -106.238 flat angles P-C4'-P energy: -83.072 tors. eta vs tors. theta energy: -90.876 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: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1149.656258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.656258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.656258 (E_RNA) where: Base-Base interactions energy: -654.476 where: short stacking energy: -377.524 Base-Backbone interact. energy: -1.931 local terms energy: -493.248553 where: bonds (distance) C4'-P energy: -107.628 bonds (distance) P-C4' energy: -115.739 flat angles C4'-P-C4' energy: -98.899 flat angles P-C4'-P energy: -76.222 tors. eta vs tors. theta energy: -94.760 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: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1022.623023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.623023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.623023 (E_RNA) where: Base-Base interactions energy: -516.139 where: short stacking energy: -285.357 Base-Backbone interact. energy: -0.447 local terms energy: -506.037244 where: bonds (distance) C4'-P energy: -110.655 bonds (distance) P-C4' energy: -118.316 flat angles C4'-P-C4' energy: -116.841 flat angles P-C4'-P energy: -76.000 tors. eta vs tors. theta energy: -84.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -919.489862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.489862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.489862 (E_RNA) where: Base-Base interactions energy: -504.911 where: short stacking energy: -272.376 Base-Backbone interact. energy: -3.131 local terms energy: -411.447874 where: bonds (distance) C4'-P energy: -104.242 bonds (distance) P-C4' energy: -106.439 flat angles C4'-P-C4' energy: -94.030 flat angles P-C4'-P energy: -62.526 tors. eta vs tors. theta energy: -44.210 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: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -771.271721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.271721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.271721 (E_RNA) where: Base-Base interactions energy: -376.007 where: short stacking energy: -227.416 Base-Backbone interact. energy: -0.284 local terms energy: -394.981560 where: bonds (distance) C4'-P energy: -100.189 bonds (distance) P-C4' energy: -91.426 flat angles C4'-P-C4' energy: -106.989 flat angles P-C4'-P energy: -66.833 tors. eta vs tors. theta energy: -29.545 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: 7, replica: 6 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -648.846560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.846560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.846560 (E_RNA) where: Base-Base interactions energy: -300.903 where: short stacking energy: -202.720 Base-Backbone interact. energy: -1.085 local terms energy: -346.858104 where: bonds (distance) C4'-P energy: -83.046 bonds (distance) P-C4' energy: -114.966 flat angles C4'-P-C4' energy: -93.559 flat angles P-C4'-P energy: -41.141 tors. eta vs tors. theta energy: -14.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -531.645971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.645971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.645971 (E_RNA) where: Base-Base interactions energy: -199.678 where: short stacking energy: -159.241 Base-Backbone interact. energy: -3.389 local terms energy: -328.579382 where: bonds (distance) C4'-P energy: -86.105 bonds (distance) P-C4' energy: -101.190 flat angles C4'-P-C4' energy: -77.717 flat angles P-C4'-P energy: -61.581 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -546.075478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.075478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.075478 (E_RNA) where: Base-Base interactions energy: -219.458 where: short stacking energy: -153.419 Base-Backbone interact. energy: 0.835 local terms energy: -327.452490 where: bonds (distance) C4'-P energy: -100.578 bonds (distance) P-C4' energy: -101.702 flat angles C4'-P-C4' energy: -77.754 flat angles P-C4'-P energy: -47.966 tors. eta vs tors. theta energy: 0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -422.517962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.517962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.517962 (E_RNA) where: Base-Base interactions energy: -147.679 where: short stacking energy: -125.424 Base-Backbone interact. energy: 0.043 local terms energy: -274.881596 where: bonds (distance) C4'-P energy: -93.206 bonds (distance) P-C4' energy: -90.539 flat angles C4'-P-C4' energy: -69.023 flat angles P-C4'-P energy: -34.912 tors. eta vs tors. theta energy: 12.799 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: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1385.762129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.762129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.762129 (E_RNA) where: Base-Base interactions energy: -835.205 where: short stacking energy: -419.383 Base-Backbone interact. energy: -1.177 local terms energy: -549.379744 where: bonds (distance) C4'-P energy: -122.228 bonds (distance) P-C4' energy: -120.109 flat angles C4'-P-C4' energy: -116.732 flat angles P-C4'-P energy: -81.782 tors. eta vs tors. theta energy: -108.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1206.044405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.044405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.044405 (E_RNA) where: Base-Base interactions energy: -702.554 where: short stacking energy: -388.074 Base-Backbone interact. energy: -0.856 local terms energy: -502.633504 where: bonds (distance) C4'-P energy: -103.210 bonds (distance) P-C4' energy: -115.463 flat angles C4'-P-C4' energy: -110.901 flat angles P-C4'-P energy: -77.348 tors. eta vs tors. theta energy: -95.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1154.342076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.342076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.342076 (E_RNA) where: Base-Base interactions energy: -684.925 where: short stacking energy: -358.628 Base-Backbone interact. energy: -1.108 local terms energy: -468.309379 where: bonds (distance) C4'-P energy: -91.033 bonds (distance) P-C4' energy: -114.996 flat angles C4'-P-C4' energy: -110.444 flat angles P-C4'-P energy: -72.395 tors. eta vs tors. theta energy: -79.442 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: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1001.352415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.352415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.352415 (E_RNA) where: Base-Base interactions energy: -532.506 where: short stacking energy: -308.421 Base-Backbone interact. energy: -1.041 local terms energy: -467.804490 where: bonds (distance) C4'-P energy: -99.399 bonds (distance) P-C4' energy: -111.909 flat angles C4'-P-C4' energy: -111.896 flat angles P-C4'-P energy: -73.493 tors. eta vs tors. theta energy: -71.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -970.680527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.680527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.680527 (E_RNA) where: Base-Base interactions energy: -550.882 where: short stacking energy: -284.363 Base-Backbone interact. energy: -0.321 local terms energy: -419.477475 where: bonds (distance) C4'-P energy: -101.299 bonds (distance) P-C4' energy: -108.456 flat angles C4'-P-C4' energy: -100.107 flat angles P-C4'-P energy: -45.922 tors. eta vs tors. theta energy: -63.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -783.837938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.837938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.837938 (E_RNA) where: Base-Base interactions energy: -370.522 where: short stacking energy: -217.346 Base-Backbone interact. energy: -2.424 local terms energy: -410.892296 where: bonds (distance) C4'-P energy: -93.907 bonds (distance) P-C4' energy: -114.160 flat angles C4'-P-C4' energy: -102.373 flat angles P-C4'-P energy: -56.094 tors. eta vs tors. theta energy: -44.358 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: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -665.499903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.499903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.499903 (E_RNA) where: Base-Base interactions energy: -305.122 where: short stacking energy: -186.171 Base-Backbone interact. energy: -1.764 local terms energy: -358.614071 where: bonds (distance) C4'-P energy: -104.731 bonds (distance) P-C4' energy: -103.687 flat angles C4'-P-C4' energy: -93.117 flat angles P-C4'-P energy: -50.101 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: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -560.244822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.244822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.244822 (E_RNA) where: Base-Base interactions energy: -240.831 where: short stacking energy: -137.147 Base-Backbone interact. energy: -0.862 local terms energy: -318.551938 where: bonds (distance) C4'-P energy: -91.656 bonds (distance) P-C4' energy: -108.817 flat angles C4'-P-C4' energy: -70.783 flat angles P-C4'-P energy: -55.973 tors. eta vs tors. theta energy: 8.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -510.453511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.453511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.453511 (E_RNA) where: Base-Base interactions energy: -217.006 where: short stacking energy: -156.676 Base-Backbone interact. energy: -1.876 local terms energy: -291.571705 where: bonds (distance) C4'-P energy: -82.308 bonds (distance) P-C4' energy: -101.859 flat angles C4'-P-C4' energy: -77.617 flat angles P-C4'-P energy: -53.090 tors. eta vs tors. theta energy: 23.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -428.560293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.560293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.560293 (E_RNA) where: Base-Base interactions energy: -120.346 where: short stacking energy: -112.345 Base-Backbone interact. energy: 2.776 local terms energy: -310.990522 where: bonds (distance) C4'-P energy: -94.005 bonds (distance) P-C4' energy: -101.519 flat angles C4'-P-C4' energy: -86.330 flat angles P-C4'-P energy: -48.140 tors. eta vs tors. theta energy: 19.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1398.712357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.712357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.712357 (E_RNA) where: Base-Base interactions energy: -870.186 where: short stacking energy: -437.600 Base-Backbone interact. energy: -3.173 local terms energy: -525.353544 where: bonds (distance) C4'-P energy: -116.042 bonds (distance) P-C4' energy: -105.472 flat angles C4'-P-C4' energy: -121.779 flat angles P-C4'-P energy: -69.230 tors. eta vs tors. theta energy: -112.830 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: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1174.970018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.970018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.970018 (E_RNA) where: Base-Base interactions energy: -630.708 where: short stacking energy: -387.327 Base-Backbone interact. energy: -0.358 local terms energy: -543.903583 where: bonds (distance) C4'-P energy: -114.489 bonds (distance) P-C4' energy: -111.204 flat angles C4'-P-C4' energy: -127.070 flat angles P-C4'-P energy: -78.800 tors. eta vs tors. theta energy: -112.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1192.254474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.254474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.254474 (E_RNA) where: Base-Base interactions energy: -703.618 where: short stacking energy: -393.245 Base-Backbone interact. energy: -0.940 local terms energy: -487.696566 where: bonds (distance) C4'-P energy: -98.379 bonds (distance) P-C4' energy: -102.099 flat angles C4'-P-C4' energy: -109.859 flat angles P-C4'-P energy: -73.953 tors. eta vs tors. theta energy: -103.407 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: 15 Temperature: 1.050000 Total energy: -984.226357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.226357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.226357 (E_RNA) where: Base-Base interactions energy: -538.593 where: short stacking energy: -322.916 Base-Backbone interact. energy: 4.199 local terms energy: -449.832126 where: bonds (distance) C4'-P energy: -90.200 bonds (distance) P-C4' energy: -100.332 flat angles C4'-P-C4' energy: -105.495 flat angles P-C4'-P energy: -78.042 tors. eta vs tors. theta energy: -75.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -937.379903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.379903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.379903 (E_RNA) where: Base-Base interactions energy: -517.017 where: short stacking energy: -261.780 Base-Backbone interact. energy: -3.614 local terms energy: -416.749635 where: bonds (distance) C4'-P energy: -105.614 bonds (distance) P-C4' energy: -97.150 flat angles C4'-P-C4' energy: -95.515 flat angles P-C4'-P energy: -61.883 tors. eta vs tors. theta energy: -56.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -788.588519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.588519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.588519 (E_RNA) where: Base-Base interactions energy: -403.462 where: short stacking energy: -240.785 Base-Backbone interact. energy: 3.521 local terms energy: -388.647351 where: bonds (distance) C4'-P energy: -92.302 bonds (distance) P-C4' energy: -96.486 flat angles C4'-P-C4' energy: -95.734 flat angles P-C4'-P energy: -67.227 tors. eta vs tors. theta energy: -36.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -675.208568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.208568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.208568 (E_RNA) where: Base-Base interactions energy: -312.621 where: short stacking energy: -198.260 Base-Backbone interact. energy: -4.850 local terms energy: -357.736987 where: bonds (distance) C4'-P energy: -86.572 bonds (distance) P-C4' energy: -100.317 flat angles C4'-P-C4' energy: -95.417 flat angles P-C4'-P energy: -60.891 tors. eta vs tors. theta energy: -14.540 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: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -571.526161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.526161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.526161 (E_RNA) where: Base-Base interactions energy: -202.866 where: short stacking energy: -142.345 Base-Backbone interact. energy: 1.068 local terms energy: -369.728763 where: bonds (distance) C4'-P energy: -98.634 bonds (distance) P-C4' energy: -100.614 flat angles C4'-P-C4' energy: -105.160 flat angles P-C4'-P energy: -65.327 tors. eta vs tors. theta energy: 0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -479.385012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.385012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.385012 (E_RNA) where: Base-Base interactions energy: -173.098 where: short stacking energy: -136.807 Base-Backbone interact. energy: 2.573 local terms energy: -308.859594 where: bonds (distance) C4'-P energy: -97.611 bonds (distance) P-C4' energy: -88.693 flat angles C4'-P-C4' energy: -87.286 flat angles P-C4'-P energy: -51.483 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: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -428.529437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.529437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.529437 (E_RNA) where: Base-Base interactions energy: -141.875 where: short stacking energy: -118.461 Base-Backbone interact. energy: -3.008 local terms energy: -283.646256 where: bonds (distance) C4'-P energy: -94.939 bonds (distance) P-C4' energy: -103.169 flat angles C4'-P-C4' energy: -81.924 flat angles P-C4'-P energy: -18.421 tors. eta vs tors. theta energy: 14.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1388.832843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.832843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.832843 (E_RNA) where: Base-Base interactions energy: -878.109 where: short stacking energy: -431.981 Base-Backbone interact. energy: -2.767 local terms energy: -507.956188 where: bonds (distance) C4'-P energy: -111.265 bonds (distance) P-C4' energy: -111.435 flat angles C4'-P-C4' energy: -118.969 flat angles P-C4'-P energy: -67.372 tors. eta vs tors. theta energy: -98.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1108.442359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.442359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.442359 (E_RNA) where: Base-Base interactions energy: -612.595 where: short stacking energy: -375.290 Base-Backbone interact. energy: -1.632 local terms energy: -494.214550 where: bonds (distance) C4'-P energy: -100.892 bonds (distance) P-C4' energy: -120.639 flat angles C4'-P-C4' energy: -116.865 flat angles P-C4'-P energy: -67.516 tors. eta vs tors. theta energy: -88.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1259.770003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.770003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.770003 (E_RNA) where: Base-Base interactions energy: -766.723 where: short stacking energy: -399.950 Base-Backbone interact. energy: 0.298 local terms energy: -493.345274 where: bonds (distance) C4'-P energy: -112.019 bonds (distance) P-C4' energy: -119.337 flat angles C4'-P-C4' energy: -107.903 flat angles P-C4'-P energy: -63.487 tors. eta vs tors. theta energy: -90.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1012.561131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.561131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.561131 (E_RNA) where: Base-Base interactions energy: -572.456 where: short stacking energy: -333.388 Base-Backbone interact. energy: -1.460 local terms energy: -438.645624 where: bonds (distance) C4'-P energy: -109.723 bonds (distance) P-C4' energy: -106.377 flat angles C4'-P-C4' energy: -100.657 flat angles P-C4'-P energy: -36.699 tors. eta vs tors. theta energy: -85.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -932.912097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.912097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.912097 (E_RNA) where: Base-Base interactions energy: -519.357 where: short stacking energy: -285.769 Base-Backbone interact. energy: -2.571 local terms energy: -410.984196 where: bonds (distance) C4'-P energy: -85.821 bonds (distance) P-C4' energy: -103.318 flat angles C4'-P-C4' energy: -109.024 flat angles P-C4'-P energy: -63.401 tors. eta vs tors. theta energy: -49.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -756.439756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.439756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.439756 (E_RNA) where: Base-Base interactions energy: -381.231 where: short stacking energy: -230.689 Base-Backbone interact. energy: 2.857 local terms energy: -378.066148 where: bonds (distance) C4'-P energy: -84.842 bonds (distance) P-C4' energy: -93.843 flat angles C4'-P-C4' energy: -108.182 flat angles P-C4'-P energy: -66.214 tors. eta vs tors. theta energy: -24.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -666.260992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.260992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.260992 (E_RNA) where: Base-Base interactions energy: -328.550 where: short stacking energy: -190.553 Base-Backbone interact. energy: 0.185 local terms energy: -337.895735 where: bonds (distance) C4'-P energy: -100.870 bonds (distance) P-C4' energy: -96.412 flat angles C4'-P-C4' energy: -92.232 flat angles P-C4'-P energy: -50.213 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: 8, replica: 8 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -553.566470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.566470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.566470 (E_RNA) where: Base-Base interactions energy: -226.987 where: short stacking energy: -156.542 Base-Backbone interact. energy: 1.946 local terms energy: -328.525533 where: bonds (distance) C4'-P energy: -85.541 bonds (distance) P-C4' energy: -105.790 flat angles C4'-P-C4' energy: -87.826 flat angles P-C4'-P energy: -37.820 tors. eta vs tors. theta energy: -11.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -472.782759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.782759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.782759 (E_RNA) where: Base-Base interactions energy: -214.576 where: short stacking energy: -133.105 Base-Backbone interact. energy: 4.890 local terms energy: -263.096395 where: bonds (distance) C4'-P energy: -86.684 bonds (distance) P-C4' energy: -85.609 flat angles C4'-P-C4' energy: -58.475 flat angles P-C4'-P energy: -45.461 tors. eta vs tors. theta energy: 13.133 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: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -422.683939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.683939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.683939 (E_RNA) where: Base-Base interactions energy: -161.732 where: short stacking energy: -112.832 Base-Backbone interact. energy: 5.078 local terms energy: -266.029273 where: bonds (distance) C4'-P energy: -85.805 bonds (distance) P-C4' energy: -89.879 flat angles C4'-P-C4' energy: -86.782 flat angles P-C4'-P energy: -37.451 tors. eta vs tors. theta energy: 33.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1399.962138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.962138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.962138 (E_RNA) where: Base-Base interactions energy: -864.862 where: short stacking energy: -457.247 Base-Backbone interact. energy: -0.881 local terms energy: -534.218991 where: bonds (distance) C4'-P energy: -105.812 bonds (distance) P-C4' energy: -117.672 flat angles C4'-P-C4' energy: -119.871 flat angles P-C4'-P energy: -73.694 tors. eta vs tors. theta energy: -117.169 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: 2, replica: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1309.169556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.169556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.169556 (E_RNA) where: Base-Base interactions energy: -810.161 where: short stacking energy: -417.175 Base-Backbone interact. energy: -0.203 local terms energy: -498.805911 where: bonds (distance) C4'-P energy: -106.125 bonds (distance) P-C4' energy: -109.602 flat angles C4'-P-C4' energy: -117.861 flat angles P-C4'-P energy: -60.419 tors. eta vs tors. theta energy: -104.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1117.261322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.261322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.261322 (E_RNA) where: Base-Base interactions energy: -612.637 where: short stacking energy: -369.485 Base-Backbone interact. energy: 4.127 local terms energy: -508.752146 where: bonds (distance) C4'-P energy: -110.137 bonds (distance) P-C4' energy: -113.855 flat angles C4'-P-C4' energy: -122.442 flat angles P-C4'-P energy: -74.664 tors. eta vs tors. theta energy: -87.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1018.343714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.343714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.343714 (E_RNA) where: Base-Base interactions energy: -566.480 where: short stacking energy: -322.064 Base-Backbone interact. energy: -1.745 local terms energy: -450.119287 where: bonds (distance) C4'-P energy: -103.554 bonds (distance) P-C4' energy: -112.489 flat angles C4'-P-C4' energy: -87.407 flat angles P-C4'-P energy: -68.297 tors. eta vs tors. theta energy: -78.373 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: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -950.766625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.766625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.766625 (E_RNA) where: Base-Base interactions energy: -525.455 where: short stacking energy: -288.634 Base-Backbone interact. energy: 0.793 local terms energy: -426.104354 where: bonds (distance) C4'-P energy: -105.077 bonds (distance) P-C4' energy: -115.523 flat angles C4'-P-C4' energy: -108.913 flat angles P-C4'-P energy: -49.445 tors. eta vs tors. theta energy: -47.146 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: 17 Temperature: 1.150000 Total energy: -827.481186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.481186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.481186 (E_RNA) where: Base-Base interactions energy: -429.282 where: short stacking energy: -253.089 Base-Backbone interact. energy: 0.714 local terms energy: -398.912978 where: bonds (distance) C4'-P energy: -114.639 bonds (distance) P-C4' energy: -96.828 flat angles C4'-P-C4' energy: -106.475 flat angles P-C4'-P energy: -49.680 tors. eta vs tors. theta energy: -31.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -685.271316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.271316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.271316 (E_RNA) where: Base-Base interactions energy: -343.013 where: short stacking energy: -213.111 Base-Backbone interact. energy: 7.270 local terms energy: -349.527853 where: bonds (distance) C4'-P energy: -103.019 bonds (distance) P-C4' energy: -89.646 flat angles C4'-P-C4' energy: -75.519 flat angles P-C4'-P energy: -48.862 tors. eta vs tors. theta energy: -32.481 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: 8, replica: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -573.707632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.707632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.707632 (E_RNA) where: Base-Base interactions energy: -245.534 where: short stacking energy: -159.051 Base-Backbone interact. energy: 6.584 local terms energy: -334.758167 where: bonds (distance) C4'-P energy: -91.965 bonds (distance) P-C4' energy: -89.338 flat angles C4'-P-C4' energy: -88.742 flat angles P-C4'-P energy: -64.295 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: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -480.986704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.986704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.986704 (E_RNA) where: Base-Base interactions energy: -179.847 where: short stacking energy: -127.179 Base-Backbone interact. energy: 1.100 local terms energy: -302.239288 where: bonds (distance) C4'-P energy: -97.005 bonds (distance) P-C4' energy: -87.473 flat angles C4'-P-C4' energy: -76.732 flat angles P-C4'-P energy: -53.362 tors. eta vs tors. theta energy: 12.333 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: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -434.033502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.033502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.033502 (E_RNA) where: Base-Base interactions energy: -149.421 where: short stacking energy: -109.135 Base-Backbone interact. energy: 2.035 local terms energy: -286.646723 where: bonds (distance) C4'-P energy: -92.610 bonds (distance) P-C4' energy: -90.334 flat angles C4'-P-C4' energy: -79.299 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: 24.556 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: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1412.635546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.635546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.635546 (E_RNA) where: Base-Base interactions energy: -873.563 where: short stacking energy: -428.653 Base-Backbone interact. energy: -3.578 local terms energy: -535.494782 where: bonds (distance) C4'-P energy: -115.129 bonds (distance) P-C4' energy: -117.998 flat angles C4'-P-C4' energy: -114.193 flat angles P-C4'-P energy: -83.214 tors. eta vs tors. theta energy: -104.960 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: 18 Temperature: 0.950000 Total energy: -1310.532822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.532822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.532822 (E_RNA) where: Base-Base interactions energy: -813.589 where: short stacking energy: -408.668 Base-Backbone interact. energy: -0.695 local terms energy: -496.248761 where: bonds (distance) C4'-P energy: -90.289 bonds (distance) P-C4' energy: -115.234 flat angles C4'-P-C4' energy: -102.627 flat angles P-C4'-P energy: -85.739 tors. eta vs tors. theta energy: -102.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1148.634252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.634252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.634252 (E_RNA) where: Base-Base interactions energy: -667.273 where: short stacking energy: -307.198 Base-Backbone interact. energy: -3.895 local terms energy: -477.466719 where: bonds (distance) C4'-P energy: -101.167 bonds (distance) P-C4' energy: -117.566 flat angles C4'-P-C4' energy: -113.080 flat angles P-C4'-P energy: -79.763 tors. eta vs tors. theta energy: -65.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -999.044729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.044729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.044729 (E_RNA) where: Base-Base interactions energy: -550.299 where: short stacking energy: -337.673 Base-Backbone interact. energy: -0.897 local terms energy: -447.848886 where: bonds (distance) C4'-P energy: -91.958 bonds (distance) P-C4' energy: -88.725 flat angles C4'-P-C4' energy: -119.673 flat angles P-C4'-P energy: -66.469 tors. eta vs tors. theta energy: -81.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -997.170816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.170816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.170816 (E_RNA) where: Base-Base interactions energy: -575.445 where: short stacking energy: -311.583 Base-Backbone interact. energy: -2.896 local terms energy: -418.829153 where: bonds (distance) C4'-P energy: -95.161 bonds (distance) P-C4' energy: -109.924 flat angles C4'-P-C4' energy: -88.392 flat angles P-C4'-P energy: -56.223 tors. eta vs tors. theta energy: -69.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -806.693819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.693819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.693819 (E_RNA) where: Base-Base interactions energy: -427.286 where: short stacking energy: -263.363 Base-Backbone interact. energy: -0.121 local terms energy: -379.286450 where: bonds (distance) C4'-P energy: -85.842 bonds (distance) P-C4' energy: -96.460 flat angles C4'-P-C4' energy: -95.886 flat angles P-C4'-P energy: -54.812 tors. eta vs tors. theta energy: -46.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -658.556867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.556867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.556867 (E_RNA) where: Base-Base interactions energy: -289.995 where: short stacking energy: -188.608 Base-Backbone interact. energy: 0.418 local terms energy: -368.980480 where: bonds (distance) C4'-P energy: -91.228 bonds (distance) P-C4' energy: -102.674 flat angles C4'-P-C4' energy: -87.599 flat angles P-C4'-P energy: -62.929 tors. eta vs tors. theta energy: -24.551 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: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -589.810424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.810424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.810424 (E_RNA) where: Base-Base interactions energy: -262.504 where: short stacking energy: -169.140 Base-Backbone interact. energy: 0.558 local terms energy: -327.865006 where: bonds (distance) C4'-P energy: -78.628 bonds (distance) P-C4' energy: -100.742 flat angles C4'-P-C4' energy: -91.661 flat angles P-C4'-P energy: -59.937 tors. eta vs tors. theta energy: 3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -450.032730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.032730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.032730 (E_RNA) where: Base-Base interactions energy: -160.305 where: short stacking energy: -116.218 Base-Backbone interact. energy: 4.738 local terms energy: -294.465968 where: bonds (distance) C4'-P energy: -91.171 bonds (distance) P-C4' energy: -104.789 flat angles C4'-P-C4' energy: -87.883 flat angles P-C4'-P energy: -35.483 tors. eta vs tors. theta energy: 24.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -416.008539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.008539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.008539 (E_RNA) where: Base-Base interactions energy: -175.770 where: short stacking energy: -130.297 Base-Backbone interact. energy: -0.797 local terms energy: -239.442055 where: bonds (distance) C4'-P energy: -84.704 bonds (distance) P-C4' energy: -71.501 flat angles C4'-P-C4' energy: -66.521 flat angles P-C4'-P energy: -46.442 tors. eta vs tors. theta energy: 29.725 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: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1390.586679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.586679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.586679 (E_RNA) where: Base-Base interactions energy: -849.060 where: short stacking energy: -405.193 Base-Backbone interact. energy: -0.053 local terms energy: -541.473395 where: bonds (distance) C4'-P energy: -120.115 bonds (distance) P-C4' energy: -117.856 flat angles C4'-P-C4' energy: -121.422 flat angles P-C4'-P energy: -79.847 tors. eta vs tors. theta energy: -102.234 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: 19 Temperature: 0.950000 Total energy: -1340.088187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.088187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.088187 (E_RNA) where: Base-Base interactions energy: -822.468 where: short stacking energy: -395.873 Base-Backbone interact. energy: -0.762 local terms energy: -516.858400 where: bonds (distance) C4'-P energy: -113.106 bonds (distance) P-C4' energy: -119.473 flat angles C4'-P-C4' energy: -121.632 flat angles P-C4'-P energy: -63.181 tors. eta vs tors. theta energy: -99.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1208.177577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.177577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.177577 (E_RNA) where: Base-Base interactions energy: -752.569 where: short stacking energy: -358.075 Base-Backbone interact. energy: -2.350 local terms energy: -453.258405 where: bonds (distance) C4'-P energy: -99.551 bonds (distance) P-C4' energy: -92.625 flat angles C4'-P-C4' energy: -110.318 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: -77.983 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: 4, replica: 7 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1088.401994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.401994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.401994 (E_RNA) where: Base-Base interactions energy: -624.434 where: short stacking energy: -326.023 Base-Backbone interact. energy: -1.374 local terms energy: -462.593817 where: bonds (distance) C4'-P energy: -116.638 bonds (distance) P-C4' energy: -107.323 flat angles C4'-P-C4' energy: -98.868 flat angles P-C4'-P energy: -81.387 tors. eta vs tors. theta energy: -58.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -971.196097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.196097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.196097 (E_RNA) where: Base-Base interactions energy: -536.967 where: short stacking energy: -295.173 Base-Backbone interact. energy: -0.741 local terms energy: -433.488280 where: bonds (distance) C4'-P energy: -116.578 bonds (distance) P-C4' energy: -86.817 flat angles C4'-P-C4' energy: -101.847 flat angles P-C4'-P energy: -63.289 tors. eta vs tors. theta energy: -64.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -881.864740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.864740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.864740 (E_RNA) where: Base-Base interactions energy: -480.688 where: short stacking energy: -277.953 Base-Backbone interact. energy: -0.541 local terms energy: -400.635490 where: bonds (distance) C4'-P energy: -101.788 bonds (distance) P-C4' energy: -95.630 flat angles C4'-P-C4' energy: -110.557 flat angles P-C4'-P energy: -38.245 tors. eta vs tors. theta energy: -54.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -627.697609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.697609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.697609 (E_RNA) where: Base-Base interactions energy: -274.262 where: short stacking energy: -190.489 Base-Backbone interact. energy: 1.641 local terms energy: -355.076795 where: bonds (distance) C4'-P energy: -93.389 bonds (distance) P-C4' energy: -105.889 flat angles C4'-P-C4' energy: -84.367 flat angles P-C4'-P energy: -55.471 tors. eta vs tors. theta energy: -15.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -599.572269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.572269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.572269 (E_RNA) where: Base-Base interactions energy: -294.742 where: short stacking energy: -182.578 Base-Backbone interact. energy: 6.009 local terms energy: -310.839245 where: bonds (distance) C4'-P energy: -88.859 bonds (distance) P-C4' energy: -102.779 flat angles C4'-P-C4' energy: -80.756 flat angles P-C4'-P energy: -35.687 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -446.344908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.344908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.344908 (E_RNA) where: Base-Base interactions energy: -149.227 where: short stacking energy: -120.149 Base-Backbone interact. energy: -0.551 local terms energy: -296.567509 where: bonds (distance) C4'-P energy: -91.462 bonds (distance) P-C4' energy: -95.604 flat angles C4'-P-C4' energy: -75.700 flat angles P-C4'-P energy: -49.921 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: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -427.866203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.866203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.866203 (E_RNA) where: Base-Base interactions energy: -164.019 where: short stacking energy: -118.368 Base-Backbone interact. energy: 4.824 local terms energy: -268.671657 where: bonds (distance) C4'-P energy: -102.288 bonds (distance) P-C4' energy: -89.393 flat angles C4'-P-C4' energy: -65.762 flat angles P-C4'-P energy: -35.257 tors. eta vs tors. theta energy: 24.028 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: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1387.847167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.847167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.847167 (E_RNA) where: Base-Base interactions energy: -880.836 where: short stacking energy: -430.883 Base-Backbone interact. energy: -1.376 local terms energy: -505.635542 where: bonds (distance) C4'-P energy: -116.697 bonds (distance) P-C4' energy: -111.103 flat angles C4'-P-C4' energy: -114.899 flat angles P-C4'-P energy: -75.656 tors. eta vs tors. theta energy: -87.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1345.412919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.412919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.412919 (E_RNA) where: Base-Base interactions energy: -852.957 where: short stacking energy: -407.506 Base-Backbone interact. energy: -3.076 local terms energy: -489.380277 where: bonds (distance) C4'-P energy: -99.668 bonds (distance) P-C4' energy: -113.012 flat angles C4'-P-C4' energy: -109.772 flat angles P-C4'-P energy: -61.420 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: 3, replica: 7 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1241.020761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.020761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.020761 (E_RNA) where: Base-Base interactions energy: -759.692 where: short stacking energy: -390.627 Base-Backbone interact. energy: 1.700 local terms energy: -483.028532 where: bonds (distance) C4'-P energy: -109.062 bonds (distance) P-C4' energy: -100.692 flat angles C4'-P-C4' energy: -110.156 flat angles P-C4'-P energy: -59.633 tors. eta vs tors. theta energy: -103.485 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: 20 Temperature: 1.050000 Total energy: -1168.071724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.071724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.071724 (E_RNA) where: Base-Base interactions energy: -712.568 where: short stacking energy: -355.211 Base-Backbone interact. energy: -0.247 local terms energy: -455.256778 where: bonds (distance) C4'-P energy: -94.159 bonds (distance) P-C4' energy: -111.386 flat angles C4'-P-C4' energy: -108.293 flat angles P-C4'-P energy: -65.891 tors. eta vs tors. theta energy: -75.529 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: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -935.357885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.357885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.357885 (E_RNA) where: Base-Base interactions energy: -523.512 where: short stacking energy: -271.557 Base-Backbone interact. energy: -2.108 local terms energy: -409.737750 where: bonds (distance) C4'-P energy: -92.778 bonds (distance) P-C4' energy: -111.598 flat angles C4'-P-C4' energy: -92.559 flat angles P-C4'-P energy: -62.787 tors. eta vs tors. theta energy: -50.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -905.698748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.698748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.698748 (E_RNA) where: Base-Base interactions energy: -516.606 where: short stacking energy: -265.286 Base-Backbone interact. energy: 3.422 local terms energy: -392.514100 where: bonds (distance) C4'-P energy: -89.058 bonds (distance) P-C4' energy: -105.408 flat angles C4'-P-C4' energy: -92.815 flat angles P-C4'-P energy: -51.242 tors. eta vs tors. theta energy: -53.992 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: 20 Temperature: 1.200000 Total energy: -681.834592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.834592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.834592 (E_RNA) where: Base-Base interactions energy: -305.478 where: short stacking energy: -218.471 Base-Backbone interact. energy: -1.696 local terms energy: -374.660248 where: bonds (distance) C4'-P energy: -94.990 bonds (distance) P-C4' energy: -95.556 flat angles C4'-P-C4' energy: -101.853 flat angles P-C4'-P energy: -63.746 tors. eta vs tors. theta energy: -18.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -577.047358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.047358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.047358 (E_RNA) where: Base-Base interactions energy: -264.089 where: short stacking energy: -178.704 Base-Backbone interact. energy: 3.872 local terms energy: -316.830884 where: bonds (distance) C4'-P energy: -102.137 bonds (distance) P-C4' energy: -102.332 flat angles C4'-P-C4' energy: -86.411 flat angles P-C4'-P energy: -26.366 tors. eta vs tors. theta energy: 0.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -463.513172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.513172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.513172 (E_RNA) where: Base-Base interactions energy: -152.621 where: short stacking energy: -129.476 Base-Backbone interact. energy: -1.410 local terms energy: -309.482409 where: bonds (distance) C4'-P energy: -97.110 bonds (distance) P-C4' energy: -92.078 flat angles C4'-P-C4' energy: -84.157 flat angles P-C4'-P energy: -46.261 tors. eta vs tors. theta energy: 10.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -428.405186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.405186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.405186 (E_RNA) where: Base-Base interactions energy: -143.422 where: short stacking energy: -100.023 Base-Backbone interact. energy: 4.685 local terms energy: -289.668075 where: bonds (distance) C4'-P energy: -95.070 bonds (distance) P-C4' energy: -104.351 flat angles C4'-P-C4' energy: -71.220 flat angles P-C4'-P energy: -39.962 tors. eta vs tors. theta energy: 20.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1407.560334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.560334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.560334 (E_RNA) where: Base-Base interactions energy: -879.379 where: short stacking energy: -463.633 Base-Backbone interact. energy: 2.834 local terms energy: -531.014730 where: bonds (distance) C4'-P energy: -93.878 bonds (distance) P-C4' energy: -109.170 flat angles C4'-P-C4' energy: -106.911 flat angles P-C4'-P energy: -80.880 tors. eta vs tors. theta energy: -140.176 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: 1 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1301.497584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.497584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.497584 (E_RNA) where: Base-Base interactions energy: -807.175 where: short stacking energy: -413.929 Base-Backbone interact. energy: 0.776 local terms energy: -495.098072 where: bonds (distance) C4'-P energy: -108.604 bonds (distance) P-C4' energy: -112.447 flat angles C4'-P-C4' energy: -112.755 flat angles P-C4'-P energy: -62.253 tors. eta vs tors. theta energy: -99.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1277.734360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.734360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.734360 (E_RNA) where: Base-Base interactions energy: -788.441 where: short stacking energy: -398.517 Base-Backbone interact. energy: 2.387 local terms energy: -491.680325 where: bonds (distance) C4'-P energy: -104.518 bonds (distance) P-C4' energy: -106.505 flat angles C4'-P-C4' energy: -111.475 flat angles P-C4'-P energy: -61.953 tors. eta vs tors. theta energy: -107.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1066.733302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.733302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.733302 (E_RNA) where: Base-Base interactions energy: -605.976 where: short stacking energy: -317.142 Base-Backbone interact. energy: 0.951 local terms energy: -461.708707 where: bonds (distance) C4'-P energy: -106.768 bonds (distance) P-C4' energy: -120.744 flat angles C4'-P-C4' energy: -99.859 flat angles P-C4'-P energy: -63.717 tors. eta vs tors. theta energy: -70.620 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: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -941.458563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.458563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.458563 (E_RNA) where: Base-Base interactions energy: -499.277 where: short stacking energy: -275.017 Base-Backbone interact. energy: -3.198 local terms energy: -438.983669 where: bonds (distance) C4'-P energy: -114.664 bonds (distance) P-C4' energy: -109.543 flat angles C4'-P-C4' energy: -97.434 flat angles P-C4'-P energy: -65.499 tors. eta vs tors. theta energy: -51.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -934.379800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.379800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.379800 (E_RNA) where: Base-Base interactions energy: -527.731 where: short stacking energy: -261.644 Base-Backbone interact. energy: -0.270 local terms energy: -406.378935 where: bonds (distance) C4'-P energy: -102.732 bonds (distance) P-C4' energy: -99.550 flat angles C4'-P-C4' energy: -102.308 flat angles P-C4'-P energy: -55.975 tors. eta vs tors. theta energy: -45.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -644.488724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.488724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.488724 (E_RNA) where: Base-Base interactions energy: -306.379 where: short stacking energy: -181.836 Base-Backbone interact. energy: -1.948 local terms energy: -336.161159 where: bonds (distance) C4'-P energy: -88.319 bonds (distance) P-C4' energy: -105.265 flat angles C4'-P-C4' energy: -88.452 flat angles P-C4'-P energy: -48.438 tors. eta vs tors. theta energy: -5.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -509.478095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.478095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.478095 (E_RNA) where: Base-Base interactions energy: -202.952 where: short stacking energy: -168.540 Base-Backbone interact. energy: -0.451 local terms energy: -306.075025 where: bonds (distance) C4'-P energy: -78.027 bonds (distance) P-C4' energy: -96.823 flat angles C4'-P-C4' energy: -89.867 flat angles P-C4'-P energy: -38.490 tors. eta vs tors. theta energy: -2.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -460.416414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.416414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.416414 (E_RNA) where: Base-Base interactions energy: -177.609 where: short stacking energy: -140.855 Base-Backbone interact. energy: -3.189 local terms energy: -279.618779 where: bonds (distance) C4'-P energy: -93.332 bonds (distance) P-C4' energy: -92.859 flat angles C4'-P-C4' energy: -79.102 flat angles P-C4'-P energy: -41.868 tors. eta vs tors. theta energy: 27.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -417.722587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.722587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.722587 (E_RNA) where: Base-Base interactions energy: -134.664 where: short stacking energy: -115.711 Base-Backbone interact. energy: 4.238 local terms energy: -287.296830 where: bonds (distance) C4'-P energy: -75.398 bonds (distance) P-C4' energy: -93.460 flat angles C4'-P-C4' energy: -83.313 flat angles P-C4'-P energy: -47.169 tors. eta vs tors. theta energy: 12.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1419.974788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.974788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.974788 (E_RNA) where: Base-Base interactions energy: -874.447 where: short stacking energy: -457.508 Base-Backbone interact. energy: -0.709 local terms energy: -544.818299 where: bonds (distance) C4'-P energy: -109.781 bonds (distance) P-C4' energy: -119.397 flat angles C4'-P-C4' energy: -109.709 flat angles P-C4'-P energy: -83.757 tors. eta vs tors. theta energy: -122.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1308.047893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.047893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.047893 (E_RNA) where: Base-Base interactions energy: -807.023 where: short stacking energy: -406.813 Base-Backbone interact. energy: 0.450 local terms energy: -501.474260 where: bonds (distance) C4'-P energy: -110.657 bonds (distance) P-C4' energy: -110.287 flat angles C4'-P-C4' energy: -105.807 flat angles P-C4'-P energy: -66.916 tors. eta vs tors. theta energy: -107.808 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: 3, replica: 7 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1326.006686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.006686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.006686 (E_RNA) where: Base-Base interactions energy: -821.739 where: short stacking energy: -377.502 Base-Backbone interact. energy: -0.235 local terms energy: -504.032670 where: bonds (distance) C4'-P energy: -108.751 bonds (distance) P-C4' energy: -114.504 flat angles C4'-P-C4' energy: -109.162 flat angles P-C4'-P energy: -74.472 tors. eta vs tors. theta energy: -97.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1042.706324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.706324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.706324 (E_RNA) where: Base-Base interactions energy: -591.593 where: short stacking energy: -313.105 Base-Backbone interact. energy: -1.923 local terms energy: -449.191002 where: bonds (distance) C4'-P energy: -115.455 bonds (distance) P-C4' energy: -102.915 flat angles C4'-P-C4' energy: -97.951 flat angles P-C4'-P energy: -54.529 tors. eta vs tors. theta energy: -78.341 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: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -949.331033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.331033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.331033 (E_RNA) where: Base-Base interactions energy: -472.971 where: short stacking energy: -300.728 Base-Backbone interact. energy: 1.600 local terms energy: -477.960685 where: bonds (distance) C4'-P energy: -98.650 bonds (distance) P-C4' energy: -117.758 flat angles C4'-P-C4' energy: -120.269 flat angles P-C4'-P energy: -68.329 tors. eta vs tors. theta energy: -72.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -930.589823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.589823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.589823 (E_RNA) where: Base-Base interactions energy: -510.177 where: short stacking energy: -256.528 Base-Backbone interact. energy: 0.546 local terms energy: -420.959420 where: bonds (distance) C4'-P energy: -99.836 bonds (distance) P-C4' energy: -112.296 flat angles C4'-P-C4' energy: -106.920 flat angles P-C4'-P energy: -57.940 tors. eta vs tors. theta energy: -43.967 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: 8 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -566.816339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.816339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.816339 (E_RNA) where: Base-Base interactions energy: -242.283 where: short stacking energy: -157.831 Base-Backbone interact. energy: -0.224 local terms energy: -324.309337 where: bonds (distance) C4'-P energy: -100.334 bonds (distance) P-C4' energy: -100.159 flat angles C4'-P-C4' energy: -91.758 flat angles P-C4'-P energy: -36.508 tors. eta vs tors. theta energy: 4.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -671.873250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.873250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.873250 (E_RNA) where: Base-Base interactions energy: -308.041 where: short stacking energy: -179.454 Base-Backbone interact. energy: -1.497 local terms energy: -362.334933 where: bonds (distance) C4'-P energy: -84.561 bonds (distance) P-C4' energy: -107.660 flat angles C4'-P-C4' energy: -85.645 flat angles P-C4'-P energy: -52.183 tors. eta vs tors. theta energy: -32.286 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: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -466.099087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.099087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.099087 (E_RNA) where: Base-Base interactions energy: -167.850 where: short stacking energy: -134.827 Base-Backbone interact. energy: 2.585 local terms energy: -300.834152 where: bonds (distance) C4'-P energy: -82.302 bonds (distance) P-C4' energy: -96.993 flat angles C4'-P-C4' energy: -83.536 flat angles P-C4'-P energy: -61.632 tors. eta vs tors. theta energy: 23.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -429.898639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.898639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.898639 (E_RNA) where: Base-Base interactions energy: -142.912 where: short stacking energy: -123.601 Base-Backbone interact. energy: 6.000 local terms energy: -292.986568 where: bonds (distance) C4'-P energy: -92.298 bonds (distance) P-C4' energy: -93.888 flat angles C4'-P-C4' energy: -89.708 flat angles P-C4'-P energy: -30.792 tors. eta vs tors. theta energy: 13.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1424.066657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.066657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.066657 (E_RNA) where: Base-Base interactions energy: -875.099 where: short stacking energy: -434.578 Base-Backbone interact. energy: 0.166 local terms energy: -549.134038 where: bonds (distance) C4'-P energy: -123.906 bonds (distance) P-C4' energy: -116.253 flat angles C4'-P-C4' energy: -114.956 flat angles P-C4'-P energy: -80.576 tors. eta vs tors. theta energy: -113.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1417.984571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.984571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.984571 (E_RNA) where: Base-Base interactions energy: -890.838 where: short stacking energy: -429.216 Base-Backbone interact. energy: -3.438 local terms energy: -523.708536 where: bonds (distance) C4'-P energy: -108.165 bonds (distance) P-C4' energy: -118.247 flat angles C4'-P-C4' energy: -115.316 flat angles P-C4'-P energy: -74.687 tors. eta vs tors. theta energy: -107.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1231.214856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.214856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.214856 (E_RNA) where: Base-Base interactions energy: -772.924 where: short stacking energy: -388.841 Base-Backbone interact. energy: -0.293 local terms energy: -457.998449 where: bonds (distance) C4'-P energy: -94.218 bonds (distance) P-C4' energy: -108.958 flat angles C4'-P-C4' energy: -106.305 flat angles P-C4'-P energy: -55.134 tors. eta vs tors. theta energy: -93.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1096.351584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.351584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.351584 (E_RNA) where: Base-Base interactions energy: -648.469 where: short stacking energy: -300.771 Base-Backbone interact. energy: 0.471 local terms energy: -448.354463 where: bonds (distance) C4'-P energy: -102.065 bonds (distance) P-C4' energy: -105.928 flat angles C4'-P-C4' energy: -106.901 flat angles P-C4'-P energy: -80.569 tors. eta vs tors. theta energy: -52.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -961.426831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.426831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.426831 (E_RNA) where: Base-Base interactions energy: -520.425 where: short stacking energy: -316.071 Base-Backbone interact. energy: 2.614 local terms energy: -443.615747 where: bonds (distance) C4'-P energy: -100.545 bonds (distance) P-C4' energy: -101.173 flat angles C4'-P-C4' energy: -112.159 flat angles P-C4'-P energy: -60.769 tors. eta vs tors. theta energy: -68.969 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: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -969.683185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.683185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.683185 (E_RNA) where: Base-Base interactions energy: -550.729 where: short stacking energy: -285.380 Base-Backbone interact. energy: 1.081 local terms energy: -420.035812 where: bonds (distance) C4'-P energy: -96.779 bonds (distance) P-C4' energy: -117.617 flat angles C4'-P-C4' energy: -95.411 flat angles P-C4'-P energy: -47.525 tors. eta vs tors. theta energy: -62.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -538.245499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.245499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.245499 (E_RNA) where: Base-Base interactions energy: -215.733 where: short stacking energy: -160.113 Base-Backbone interact. energy: 0.456 local terms energy: -322.968680 where: bonds (distance) C4'-P energy: -99.925 bonds (distance) P-C4' energy: -84.971 flat angles C4'-P-C4' energy: -92.567 flat angles P-C4'-P energy: -43.653 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -695.929411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.929411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.929411 (E_RNA) where: Base-Base interactions energy: -350.957 where: short stacking energy: -194.628 Base-Backbone interact. energy: -1.846 local terms energy: -343.126289 where: bonds (distance) C4'-P energy: -76.406 bonds (distance) P-C4' energy: -99.052 flat angles C4'-P-C4' energy: -104.557 flat angles P-C4'-P energy: -47.911 tors. eta vs tors. theta energy: -15.200 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: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -477.621460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.621460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.621460 (E_RNA) where: Base-Base interactions energy: -152.487 where: short stacking energy: -108.301 Base-Backbone interact. energy: -2.321 local terms energy: -322.813495 where: bonds (distance) C4'-P energy: -84.905 bonds (distance) P-C4' energy: -100.121 flat angles C4'-P-C4' energy: -91.499 flat angles P-C4'-P energy: -43.917 tors. eta vs tors. theta energy: -2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -425.550403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.550403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.550403 (E_RNA) where: Base-Base interactions energy: -143.513 where: short stacking energy: -128.431 Base-Backbone interact. energy: -1.040 local terms energy: -280.996492 where: bonds (distance) C4'-P energy: -97.415 bonds (distance) P-C4' energy: -94.577 flat angles C4'-P-C4' energy: -70.719 flat angles P-C4'-P energy: -28.403 tors. eta vs tors. theta energy: 10.118 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: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1561.912247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.912247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.912247 (E_RNA) where: Base-Base interactions energy: -1018.120 where: short stacking energy: -497.090 Base-Backbone interact. energy: -0.404 local terms energy: -543.388296 where: bonds (distance) C4'-P energy: -113.628 bonds (distance) P-C4' energy: -100.209 flat angles C4'-P-C4' energy: -121.770 flat angles P-C4'-P energy: -74.134 tors. eta vs tors. theta energy: -133.648 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: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1407.514764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.514764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.514764 (E_RNA) where: Base-Base interactions energy: -912.114 where: short stacking energy: -437.280 Base-Backbone interact. energy: -1.609 local terms energy: -493.792208 where: bonds (distance) C4'-P energy: -97.019 bonds (distance) P-C4' energy: -101.407 flat angles C4'-P-C4' energy: -111.650 flat angles P-C4'-P energy: -72.326 tors. eta vs tors. theta energy: -111.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1279.203699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.203699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.203699 (E_RNA) where: Base-Base interactions energy: -775.857 where: short stacking energy: -392.715 Base-Backbone interact. energy: 3.990 local terms energy: -507.337210 where: bonds (distance) C4'-P energy: -104.046 bonds (distance) P-C4' energy: -103.959 flat angles C4'-P-C4' energy: -119.340 flat angles P-C4'-P energy: -73.585 tors. eta vs tors. theta energy: -106.407 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: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1107.515028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.515028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.515028 (E_RNA) where: Base-Base interactions energy: -661.156 where: short stacking energy: -352.088 Base-Backbone interact. energy: 0.305 local terms energy: -446.664137 where: bonds (distance) C4'-P energy: -99.435 bonds (distance) P-C4' energy: -103.957 flat angles C4'-P-C4' energy: -99.321 flat angles P-C4'-P energy: -63.445 tors. eta vs tors. theta energy: -80.506 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: 24 Temperature: 1.100000 Total energy: -948.887822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.887822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.887822 (E_RNA) where: Base-Base interactions energy: -505.913 where: short stacking energy: -288.472 Base-Backbone interact. energy: -2.957 local terms energy: -440.017586 where: bonds (distance) C4'-P energy: -89.586 bonds (distance) P-C4' energy: -97.897 flat angles C4'-P-C4' energy: -119.559 flat angles P-C4'-P energy: -59.149 tors. eta vs tors. theta energy: -73.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -984.460273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.460273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.460273 (E_RNA) where: Base-Base interactions energy: -572.144 where: short stacking energy: -298.463 Base-Backbone interact. energy: -1.263 local terms energy: -411.053119 where: bonds (distance) C4'-P energy: -84.205 bonds (distance) P-C4' energy: -113.594 flat angles C4'-P-C4' energy: -87.934 flat angles P-C4'-P energy: -70.949 tors. eta vs tors. theta energy: -54.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -721.850546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.850546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.850546 (E_RNA) where: Base-Base interactions energy: -364.667 where: short stacking energy: -190.477 Base-Backbone interact. energy: 2.370 local terms energy: -359.553660 where: bonds (distance) C4'-P energy: -91.600 bonds (distance) P-C4' energy: -106.171 flat angles C4'-P-C4' energy: -105.823 flat angles P-C4'-P energy: -56.066 tors. eta vs tors. theta energy: 0.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -572.311324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.311324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.311324 (E_RNA) where: Base-Base interactions energy: -235.766 where: short stacking energy: -153.010 Base-Backbone interact. energy: 6.287 local terms energy: -342.832236 where: bonds (distance) C4'-P energy: -94.193 bonds (distance) P-C4' energy: -104.773 flat angles C4'-P-C4' energy: -99.973 flat angles P-C4'-P energy: -42.357 tors. eta vs tors. theta energy: -1.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -450.834896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.834896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.834896 (E_RNA) where: Base-Base interactions energy: -159.587 where: short stacking energy: -124.443 Base-Backbone interact. energy: 2.484 local terms energy: -293.731493 where: bonds (distance) C4'-P energy: -89.044 bonds (distance) P-C4' energy: -103.058 flat angles C4'-P-C4' energy: -82.636 flat angles P-C4'-P energy: -39.649 tors. eta vs tors. theta energy: 20.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -462.110496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.110496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.110496 (E_RNA) where: Base-Base interactions energy: -175.356 where: short stacking energy: -111.501 Base-Backbone interact. energy: -1.287 local terms energy: -285.467743 where: bonds (distance) C4'-P energy: -94.802 bonds (distance) P-C4' energy: -90.447 flat angles C4'-P-C4' energy: -68.093 flat angles P-C4'-P energy: -43.606 tors. eta vs tors. theta energy: 11.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1546.872584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.872584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.872584 (E_RNA) where: Base-Base interactions energy: -990.549 where: short stacking energy: -485.974 Base-Backbone interact. energy: -1.981 local terms energy: -554.343037 where: bonds (distance) C4'-P energy: -124.046 bonds (distance) P-C4' energy: -103.721 flat angles C4'-P-C4' energy: -123.877 flat angles P-C4'-P energy: -72.735 tors. eta vs tors. theta energy: -129.964 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: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1416.026496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.026496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.026496 (E_RNA) where: Base-Base interactions energy: -886.643 where: short stacking energy: -451.727 Base-Backbone interact. energy: -1.034 local terms energy: -528.349475 where: bonds (distance) C4'-P energy: -113.552 bonds (distance) P-C4' energy: -107.453 flat angles C4'-P-C4' energy: -122.708 flat angles P-C4'-P energy: -74.812 tors. eta vs tors. theta energy: -109.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1278.958546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.958546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.958546 (E_RNA) where: Base-Base interactions energy: -778.434 where: short stacking energy: -384.353 Base-Backbone interact. energy: -2.071 local terms energy: -498.453624 where: bonds (distance) C4'-P energy: -98.198 bonds (distance) P-C4' energy: -114.940 flat angles C4'-P-C4' energy: -122.393 flat angles P-C4'-P energy: -78.779 tors. eta vs tors. theta energy: -84.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1143.553744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.553744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.553744 (E_RNA) where: Base-Base interactions energy: -702.295 where: short stacking energy: -369.558 Base-Backbone interact. energy: 1.997 local terms energy: -443.256280 where: bonds (distance) C4'-P energy: -88.496 bonds (distance) P-C4' energy: -97.644 flat angles C4'-P-C4' energy: -110.117 flat angles P-C4'-P energy: -59.874 tors. eta vs tors. theta energy: -87.126 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: 25 Temperature: 1.100000 Total energy: -974.585772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.585772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.585772 (E_RNA) where: Base-Base interactions energy: -542.312 where: short stacking energy: -302.923 Base-Backbone interact. energy: -2.884 local terms energy: -429.390021 where: bonds (distance) C4'-P energy: -103.876 bonds (distance) P-C4' energy: -96.025 flat angles C4'-P-C4' energy: -96.124 flat angles P-C4'-P energy: -65.864 tors. eta vs tors. theta energy: -67.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -933.012374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.012374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.012374 (E_RNA) where: Base-Base interactions energy: -568.227 where: short stacking energy: -285.769 Base-Backbone interact. energy: 0.943 local terms energy: -365.728370 where: bonds (distance) C4'-P energy: -91.022 bonds (distance) P-C4' energy: -81.914 flat angles C4'-P-C4' energy: -85.128 flat angles P-C4'-P energy: -48.361 tors. eta vs tors. theta energy: -59.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -748.277306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.277306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.277306 (E_RNA) where: Base-Base interactions energy: -381.933 where: short stacking energy: -219.017 Base-Backbone interact. energy: 1.243 local terms energy: -367.586919 where: bonds (distance) C4'-P energy: -89.358 bonds (distance) P-C4' energy: -98.774 flat angles C4'-P-C4' energy: -97.890 flat angles P-C4'-P energy: -55.314 tors. eta vs tors. theta energy: -26.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -499.508000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.508000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.508000 (E_RNA) where: Base-Base interactions energy: -159.434 where: short stacking energy: -137.868 Base-Backbone interact. energy: -0.699 local terms energy: -339.374821 where: bonds (distance) C4'-P energy: -96.169 bonds (distance) P-C4' energy: -103.900 flat angles C4'-P-C4' energy: -97.785 flat angles P-C4'-P energy: -63.700 tors. eta vs tors. theta energy: 22.180 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: 25 Temperature: 1.300000 Total energy: -453.319648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.319648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.319648 (E_RNA) where: Base-Base interactions energy: -142.170 where: short stacking energy: -102.518 Base-Backbone interact. energy: -2.366 local terms energy: -308.783910 where: bonds (distance) C4'-P energy: -94.186 bonds (distance) P-C4' energy: -109.038 flat angles C4'-P-C4' energy: -77.450 flat angles P-C4'-P energy: -54.531 tors. eta vs tors. theta energy: 26.420 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: 25 Temperature: 1.350000 Total energy: -463.853395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.853395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.853395 (E_RNA) where: Base-Base interactions energy: -196.674 where: short stacking energy: -151.222 Base-Backbone interact. energy: -0.620 local terms energy: -266.559808 where: bonds (distance) C4'-P energy: -80.614 bonds (distance) P-C4' energy: -99.438 flat angles C4'-P-C4' energy: -87.207 flat angles P-C4'-P energy: -20.956 tors. eta vs tors. theta energy: 21.656 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: 1, replica: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1561.239446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.239446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.239446 (E_RNA) where: Base-Base interactions energy: -1026.749 where: short stacking energy: -469.622 Base-Backbone interact. energy: -2.891 local terms energy: -531.599321 where: bonds (distance) C4'-P energy: -114.366 bonds (distance) P-C4' energy: -97.868 flat angles C4'-P-C4' energy: -120.118 flat angles P-C4'-P energy: -71.059 tors. eta vs tors. theta energy: -128.189 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: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1398.935967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.935967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.935967 (E_RNA) where: Base-Base interactions energy: -885.038 where: short stacking energy: -409.398 Base-Backbone interact. energy: -1.556 local terms energy: -512.342295 where: bonds (distance) C4'-P energy: -113.182 bonds (distance) P-C4' energy: -109.787 flat angles C4'-P-C4' energy: -111.584 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -109.382 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: 26 Temperature: 1.000000 Total energy: -1286.052368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.052368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.052368 (E_RNA) where: Base-Base interactions energy: -797.229 where: short stacking energy: -398.241 Base-Backbone interact. energy: -1.887 local terms energy: -486.935628 where: bonds (distance) C4'-P energy: -94.605 bonds (distance) P-C4' energy: -106.549 flat angles C4'-P-C4' energy: -111.986 flat angles P-C4'-P energy: -75.183 tors. eta vs tors. theta energy: -98.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1171.581461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.581461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.581461 (E_RNA) where: Base-Base interactions energy: -686.940 where: short stacking energy: -362.219 Base-Backbone interact. energy: -1.143 local terms energy: -483.499406 where: bonds (distance) C4'-P energy: -91.290 bonds (distance) P-C4' energy: -110.129 flat angles C4'-P-C4' energy: -117.626 flat angles P-C4'-P energy: -74.474 tors. eta vs tors. theta energy: -89.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1006.801349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.801349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.801349 (E_RNA) where: Base-Base interactions energy: -568.493 where: short stacking energy: -303.831 Base-Backbone interact. energy: -2.101 local terms energy: -436.206797 where: bonds (distance) C4'-P energy: -89.281 bonds (distance) P-C4' energy: -108.203 flat angles C4'-P-C4' energy: -109.564 flat angles P-C4'-P energy: -58.320 tors. eta vs tors. theta energy: -70.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -931.035929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.035929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.035929 (E_RNA) where: Base-Base interactions energy: -522.431 where: short stacking energy: -262.557 Base-Backbone interact. energy: 0.818 local terms energy: -409.422654 where: bonds (distance) C4'-P energy: -99.487 bonds (distance) P-C4' energy: -103.209 flat angles C4'-P-C4' energy: -98.093 flat angles P-C4'-P energy: -63.062 tors. eta vs tors. theta energy: -45.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -688.384870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.384870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.384870 (E_RNA) where: Base-Base interactions energy: -345.952 where: short stacking energy: -200.057 Base-Backbone interact. energy: 0.790 local terms energy: -343.222748 where: bonds (distance) C4'-P energy: -86.666 bonds (distance) P-C4' energy: -90.791 flat angles C4'-P-C4' energy: -86.340 flat angles P-C4'-P energy: -61.826 tors. eta vs tors. theta energy: -17.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -554.015009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.015009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.015009 (E_RNA) where: Base-Base interactions energy: -249.360 where: short stacking energy: -146.921 Base-Backbone interact. energy: -3.415 local terms energy: -301.239841 where: bonds (distance) C4'-P energy: -80.637 bonds (distance) P-C4' energy: -96.041 flat angles C4'-P-C4' energy: -92.460 flat angles P-C4'-P energy: -47.034 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: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -456.239965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.239965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.239965 (E_RNA) where: Base-Base interactions energy: -135.545 where: short stacking energy: -118.451 Base-Backbone interact. energy: 1.197 local terms energy: -321.892393 where: bonds (distance) C4'-P energy: -89.235 bonds (distance) P-C4' energy: -114.999 flat angles C4'-P-C4' energy: -87.183 flat angles P-C4'-P energy: -41.171 tors. eta vs tors. theta energy: 10.696 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: 26 Temperature: 1.350000 Total energy: -428.049963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.049963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.049963 (E_RNA) where: Base-Base interactions energy: -136.666 where: short stacking energy: -111.994 Base-Backbone interact. energy: 4.878 local terms energy: -296.262265 where: bonds (distance) C4'-P energy: -91.437 bonds (distance) P-C4' energy: -94.317 flat angles C4'-P-C4' energy: -96.871 flat angles P-C4'-P energy: -32.765 tors. eta vs tors. theta energy: 19.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1617.257607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.257607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.257607 (E_RNA) where: Base-Base interactions energy: -1052.712 where: short stacking energy: -486.575 Base-Backbone interact. energy: -2.404 local terms energy: -562.141465 where: bonds (distance) C4'-P energy: -114.319 bonds (distance) P-C4' energy: -110.910 flat angles C4'-P-C4' energy: -117.133 flat angles P-C4'-P energy: -85.573 tors. eta vs tors. theta energy: -134.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1462.436495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.436495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.436495 (E_RNA) where: Base-Base interactions energy: -922.812 where: short stacking energy: -428.196 Base-Backbone interact. energy: -0.292 local terms energy: -539.332468 where: bonds (distance) C4'-P energy: -103.035 bonds (distance) P-C4' energy: -113.114 flat angles C4'-P-C4' energy: -121.444 flat angles P-C4'-P energy: -82.989 tors. eta vs tors. theta energy: -118.749 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: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1228.513481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.513481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.513481 (E_RNA) where: Base-Base interactions energy: -757.119 where: short stacking energy: -379.158 Base-Backbone interact. energy: -1.958 local terms energy: -469.437261 where: bonds (distance) C4'-P energy: -101.829 bonds (distance) P-C4' energy: -102.937 flat angles C4'-P-C4' energy: -109.393 flat angles P-C4'-P energy: -72.403 tors. eta vs tors. theta energy: -82.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1145.486383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.486383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.486383 (E_RNA) where: Base-Base interactions energy: -693.324 where: short stacking energy: -342.254 Base-Backbone interact. energy: -1.182 local terms energy: -450.980294 where: bonds (distance) C4'-P energy: -101.368 bonds (distance) P-C4' energy: -105.444 flat angles C4'-P-C4' energy: -111.053 flat angles P-C4'-P energy: -64.259 tors. eta vs tors. theta energy: -68.856 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: 5, replica: 5 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1058.132132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.132132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.132132 (E_RNA) where: Base-Base interactions energy: -603.146 where: short stacking energy: -326.399 Base-Backbone interact. energy: -1.884 local terms energy: -453.101749 where: bonds (distance) C4'-P energy: -87.321 bonds (distance) P-C4' energy: -102.769 flat angles C4'-P-C4' energy: -116.472 flat angles P-C4'-P energy: -73.694 tors. eta vs tors. theta energy: -72.846 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: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -898.323739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.323739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.323739 (E_RNA) where: Base-Base interactions energy: -512.355 where: short stacking energy: -264.302 Base-Backbone interact. energy: -2.023 local terms energy: -383.945577 where: bonds (distance) C4'-P energy: -97.277 bonds (distance) P-C4' energy: -95.279 flat angles C4'-P-C4' energy: -86.457 flat angles P-C4'-P energy: -51.136 tors. eta vs tors. theta energy: -53.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -702.808867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.808867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.808867 (E_RNA) where: Base-Base interactions energy: -347.207 where: short stacking energy: -191.500 Base-Backbone interact. energy: -1.113 local terms energy: -354.488953 where: bonds (distance) C4'-P energy: -90.742 bonds (distance) P-C4' energy: -108.084 flat angles C4'-P-C4' energy: -87.363 flat angles P-C4'-P energy: -49.638 tors. eta vs tors. theta energy: -18.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -546.409155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.409155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.409155 (E_RNA) where: Base-Base interactions energy: -233.939 where: short stacking energy: -174.968 Base-Backbone interact. energy: 2.808 local terms energy: -315.277458 where: bonds (distance) C4'-P energy: -68.886 bonds (distance) P-C4' energy: -100.864 flat angles C4'-P-C4' energy: -82.512 flat angles P-C4'-P energy: -58.551 tors. eta vs tors. theta energy: -4.464 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: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -457.195832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.195832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.195832 (E_RNA) where: Base-Base interactions energy: -177.266 where: short stacking energy: -132.001 Base-Backbone interact. energy: -1.021 local terms energy: -278.909456 where: bonds (distance) C4'-P energy: -92.590 bonds (distance) P-C4' energy: -92.214 flat angles C4'-P-C4' energy: -70.139 flat angles P-C4'-P energy: -45.912 tors. eta vs tors. theta energy: 21.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -420.343565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.343565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.343565 (E_RNA) where: Base-Base interactions energy: -135.293 where: short stacking energy: -109.793 Base-Backbone interact. energy: 0.833 local terms energy: -285.884244 where: bonds (distance) C4'-P energy: -85.848 bonds (distance) P-C4' energy: -100.938 flat angles C4'-P-C4' energy: -82.707 flat angles P-C4'-P energy: -54.909 tors. eta vs tors. theta energy: 38.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1631.886969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.886969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.886969 (E_RNA) where: Base-Base interactions energy: -1080.078 where: short stacking energy: -510.349 Base-Backbone interact. energy: 0.231 local terms energy: -552.040159 where: bonds (distance) C4'-P energy: -109.704 bonds (distance) P-C4' energy: -117.700 flat angles C4'-P-C4' energy: -113.819 flat angles P-C4'-P energy: -63.224 tors. eta vs tors. theta energy: -147.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1435.884622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.884622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.884622 (E_RNA) where: Base-Base interactions energy: -889.672 where: short stacking energy: -449.910 Base-Backbone interact. energy: -0.350 local terms energy: -545.861958 where: bonds (distance) C4'-P energy: -108.868 bonds (distance) P-C4' energy: -102.155 flat angles C4'-P-C4' energy: -123.908 flat angles P-C4'-P energy: -92.240 tors. eta vs tors. theta energy: -118.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1254.994711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.994711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.994711 (E_RNA) where: Base-Base interactions energy: -750.548 where: short stacking energy: -418.364 Base-Backbone interact. energy: -2.074 local terms energy: -502.373422 where: bonds (distance) C4'-P energy: -100.680 bonds (distance) P-C4' energy: -113.170 flat angles C4'-P-C4' energy: -107.739 flat angles P-C4'-P energy: -69.569 tors. eta vs tors. theta energy: -111.216 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: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1215.595475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.595475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.595475 (E_RNA) where: Base-Base interactions energy: -753.259 where: short stacking energy: -357.960 Base-Backbone interact. energy: 0.137 local terms energy: -462.473423 where: bonds (distance) C4'-P energy: -94.430 bonds (distance) P-C4' energy: -99.964 flat angles C4'-P-C4' energy: -113.808 flat angles P-C4'-P energy: -68.702 tors. eta vs tors. theta energy: -85.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1030.017708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.017708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.017708 (E_RNA) where: Base-Base interactions energy: -575.781 where: short stacking energy: -289.789 Base-Backbone interact. energy: -0.262 local terms energy: -453.975498 where: bonds (distance) C4'-P energy: -107.827 bonds (distance) P-C4' energy: -101.544 flat angles C4'-P-C4' energy: -108.849 flat angles P-C4'-P energy: -65.307 tors. eta vs tors. theta energy: -70.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -869.149226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.149226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.149226 (E_RNA) where: Base-Base interactions energy: -468.291 where: short stacking energy: -260.903 Base-Backbone interact. energy: -0.676 local terms energy: -400.181919 where: bonds (distance) C4'-P energy: -100.356 bonds (distance) P-C4' energy: -105.509 flat angles C4'-P-C4' energy: -92.540 flat angles P-C4'-P energy: -50.975 tors. eta vs tors. theta energy: -50.802 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: 28 Temperature: 1.200000 Total energy: -717.086492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.086492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.086492 (E_RNA) where: Base-Base interactions energy: -335.057 where: short stacking energy: -203.665 Base-Backbone interact. energy: -1.332 local terms energy: -380.697051 where: bonds (distance) C4'-P energy: -102.197 bonds (distance) P-C4' energy: -108.351 flat angles C4'-P-C4' energy: -100.101 flat angles P-C4'-P energy: -52.969 tors. eta vs tors. theta energy: -17.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -538.006037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.006037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.006037 (E_RNA) where: Base-Base interactions energy: -207.997 where: short stacking energy: -156.801 Base-Backbone interact. energy: -2.450 local terms energy: -327.558518 where: bonds (distance) C4'-P energy: -93.417 bonds (distance) P-C4' energy: -105.051 flat angles C4'-P-C4' energy: -83.177 flat angles P-C4'-P energy: -50.976 tors. eta vs tors. theta energy: 5.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -459.634687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.634687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.634687 (E_RNA) where: Base-Base interactions energy: -157.411 where: short stacking energy: -131.816 Base-Backbone interact. energy: -1.345 local terms energy: -300.878532 where: bonds (distance) C4'-P energy: -86.004 bonds (distance) P-C4' energy: -90.172 flat angles C4'-P-C4' energy: -88.597 flat angles P-C4'-P energy: -39.611 tors. eta vs tors. theta energy: 3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -418.411288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.411288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.411288 (E_RNA) where: Base-Base interactions energy: -127.934 where: short stacking energy: -103.079 Base-Backbone interact. energy: 5.807 local terms energy: -296.283747 where: bonds (distance) C4'-P energy: -92.607 bonds (distance) P-C4' energy: -88.794 flat angles C4'-P-C4' energy: -67.540 flat angles P-C4'-P energy: -64.072 tors. eta vs tors. theta energy: 16.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1644.083048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.083048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.083048 (E_RNA) where: Base-Base interactions energy: -1081.574 where: short stacking energy: -476.349 Base-Backbone interact. energy: -2.793 local terms energy: -559.716661 where: bonds (distance) C4'-P energy: -111.843 bonds (distance) P-C4' energy: -114.373 flat angles C4'-P-C4' energy: -125.793 flat angles P-C4'-P energy: -70.194 tors. eta vs tors. theta energy: -137.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1437.688733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.688733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.688733 (E_RNA) where: Base-Base interactions energy: -935.140 where: short stacking energy: -456.880 Base-Backbone interact. energy: -1.873 local terms energy: -500.675829 where: bonds (distance) C4'-P energy: -95.449 bonds (distance) P-C4' energy: -99.509 flat angles C4'-P-C4' energy: -119.906 flat angles P-C4'-P energy: -72.760 tors. eta vs tors. theta energy: -113.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1219.698749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.698749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.698749 (E_RNA) where: Base-Base interactions energy: -750.073 where: short stacking energy: -347.497 Base-Backbone interact. energy: -1.136 local terms energy: -468.490243 where: bonds (distance) C4'-P energy: -102.661 bonds (distance) P-C4' energy: -108.256 flat angles C4'-P-C4' energy: -108.792 flat angles P-C4'-P energy: -61.522 tors. eta vs tors. theta energy: -87.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1235.916909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.916909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.916909 (E_RNA) where: Base-Base interactions energy: -744.723 where: short stacking energy: -373.010 Base-Backbone interact. energy: -0.374 local terms energy: -490.819792 where: bonds (distance) C4'-P energy: -110.456 bonds (distance) P-C4' energy: -104.504 flat angles C4'-P-C4' energy: -114.654 flat angles P-C4'-P energy: -74.165 tors. eta vs tors. theta energy: -87.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1018.566219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.566219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.566219 (E_RNA) where: Base-Base interactions energy: -598.287 where: short stacking energy: -339.082 Base-Backbone interact. energy: -0.157 local terms energy: -420.122243 where: bonds (distance) C4'-P energy: -100.692 bonds (distance) P-C4' energy: -84.836 flat angles C4'-P-C4' energy: -96.247 flat angles P-C4'-P energy: -56.541 tors. eta vs tors. theta energy: -81.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -901.087256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.087256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.087256 (E_RNA) where: Base-Base interactions energy: -489.959 where: short stacking energy: -253.326 Base-Backbone interact. energy: 3.956 local terms energy: -415.083764 where: bonds (distance) C4'-P energy: -91.955 bonds (distance) P-C4' energy: -96.539 flat angles C4'-P-C4' energy: -110.931 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: -48.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -726.794426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.794426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.794426 (E_RNA) where: Base-Base interactions energy: -359.711 where: short stacking energy: -208.704 Base-Backbone interact. energy: 3.358 local terms energy: -370.440801 where: bonds (distance) C4'-P energy: -108.407 bonds (distance) P-C4' energy: -90.744 flat angles C4'-P-C4' energy: -90.951 flat angles P-C4'-P energy: -50.525 tors. eta vs tors. theta energy: -29.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -511.048387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.048387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.048387 (E_RNA) where: Base-Base interactions energy: -199.157 where: short stacking energy: -177.470 Base-Backbone interact. energy: 5.283 local terms energy: -317.173845 where: bonds (distance) C4'-P energy: -77.527 bonds (distance) P-C4' energy: -109.456 flat angles C4'-P-C4' energy: -101.595 flat angles P-C4'-P energy: -36.627 tors. eta vs tors. theta energy: 8.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -460.128972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.128972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.128972 (E_RNA) where: Base-Base interactions energy: -135.751 where: short stacking energy: -93.463 Base-Backbone interact. energy: 1.647 local terms energy: -326.024869 where: bonds (distance) C4'-P energy: -99.877 bonds (distance) P-C4' energy: -110.937 flat angles C4'-P-C4' energy: -90.530 flat angles P-C4'-P energy: -54.577 tors. eta vs tors. theta energy: 29.896 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: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -444.056774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.056774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.056774 (E_RNA) where: Base-Base interactions energy: -168.585 where: short stacking energy: -129.515 Base-Backbone interact. energy: 2.722 local terms energy: -278.193387 where: bonds (distance) C4'-P energy: -92.203 bonds (distance) P-C4' energy: -93.246 flat angles C4'-P-C4' energy: -66.334 flat angles P-C4'-P energy: -44.266 tors. eta vs tors. theta energy: 17.855 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: 30 Temperature: 0.900000 Total energy: -1632.332834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.332834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.332834 (E_RNA) where: Base-Base interactions energy: -1063.022 where: short stacking energy: -476.412 Base-Backbone interact. energy: -2.798 local terms energy: -566.512967 where: bonds (distance) C4'-P energy: -119.438 bonds (distance) P-C4' energy: -108.839 flat angles C4'-P-C4' energy: -126.347 flat angles P-C4'-P energy: -81.016 tors. eta vs tors. theta energy: -130.874 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: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1409.258306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.258306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.258306 (E_RNA) where: Base-Base interactions energy: -904.245 where: short stacking energy: -413.410 Base-Backbone interact. energy: -3.510 local terms energy: -501.503243 where: bonds (distance) C4'-P energy: -107.650 bonds (distance) P-C4' energy: -101.169 flat angles C4'-P-C4' energy: -116.755 flat angles P-C4'-P energy: -67.656 tors. eta vs tors. theta energy: -108.273 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: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1278.889340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.889340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.889340 (E_RNA) where: Base-Base interactions energy: -807.391 where: short stacking energy: -376.102 Base-Backbone interact. energy: 1.274 local terms energy: -472.772504 where: bonds (distance) C4'-P energy: -92.341 bonds (distance) P-C4' energy: -114.017 flat angles C4'-P-C4' energy: -111.960 flat angles P-C4'-P energy: -60.175 tors. eta vs tors. theta energy: -94.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1190.430761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.430761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.430761 (E_RNA) where: Base-Base interactions energy: -718.947 where: short stacking energy: -369.700 Base-Backbone interact. energy: 1.573 local terms energy: -473.056917 where: bonds (distance) C4'-P energy: -101.642 bonds (distance) P-C4' energy: -102.663 flat angles C4'-P-C4' energy: -111.813 flat angles P-C4'-P energy: -64.447 tors. eta vs tors. theta energy: -92.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1020.518323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.518323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.518323 (E_RNA) where: Base-Base interactions energy: -587.980 where: short stacking energy: -299.209 Base-Backbone interact. energy: -1.486 local terms energy: -431.052806 where: bonds (distance) C4'-P energy: -101.739 bonds (distance) P-C4' energy: -106.049 flat angles C4'-P-C4' energy: -102.956 flat angles P-C4'-P energy: -62.191 tors. eta vs tors. theta energy: -58.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -852.208106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.208106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.208106 (E_RNA) where: Base-Base interactions energy: -451.539 where: short stacking energy: -272.182 Base-Backbone interact. energy: 0.111 local terms energy: -400.780315 where: bonds (distance) C4'-P energy: -102.979 bonds (distance) P-C4' energy: -96.695 flat angles C4'-P-C4' energy: -100.800 flat angles P-C4'-P energy: -54.258 tors. eta vs tors. theta energy: -46.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -728.855290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.855290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.855290 (E_RNA) where: Base-Base interactions energy: -386.512 where: short stacking energy: -211.377 Base-Backbone interact. energy: -2.857 local terms energy: -339.486032 where: bonds (distance) C4'-P energy: -94.359 bonds (distance) P-C4' energy: -94.012 flat angles C4'-P-C4' energy: -93.850 flat angles P-C4'-P energy: -51.271 tors. eta vs tors. theta energy: -5.994 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: 30 Temperature: 1.250000 Total energy: -554.768007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.768007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.768007 (E_RNA) where: Base-Base interactions energy: -242.794 where: short stacking energy: -153.937 Base-Backbone interact. energy: -1.380 local terms energy: -310.594046 where: bonds (distance) C4'-P energy: -104.826 bonds (distance) P-C4' energy: -101.087 flat angles C4'-P-C4' energy: -70.519 flat angles P-C4'-P energy: -33.562 tors. eta vs tors. theta energy: -0.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -460.152210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.152210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.152210 (E_RNA) where: Base-Base interactions energy: -141.180 where: short stacking energy: -115.932 Base-Backbone interact. energy: 0.377 local terms energy: -319.348429 where: bonds (distance) C4'-P energy: -97.097 bonds (distance) P-C4' energy: -108.672 flat angles C4'-P-C4' energy: -87.656 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: 21.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -417.816543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.816543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.816543 (E_RNA) where: Base-Base interactions energy: -146.034 where: short stacking energy: -120.995 Base-Backbone interact. energy: -1.945 local terms energy: -269.838283 where: bonds (distance) C4'-P energy: -85.174 bonds (distance) P-C4' energy: -99.009 flat angles C4'-P-C4' energy: -74.076 flat angles P-C4'-P energy: -32.513 tors. eta vs tors. theta energy: 20.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1650.467775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.467775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.467775 (E_RNA) where: Base-Base interactions energy: -1072.935 where: short stacking energy: -476.144 Base-Backbone interact. energy: -3.261 local terms energy: -574.271747 where: bonds (distance) C4'-P energy: -114.533 bonds (distance) P-C4' energy: -116.646 flat angles C4'-P-C4' energy: -125.070 flat angles P-C4'-P energy: -94.293 tors. eta vs tors. theta energy: -123.730 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: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1410.082682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.082682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.082682 (E_RNA) where: Base-Base interactions energy: -889.827 where: short stacking energy: -400.940 Base-Backbone interact. energy: -3.159 local terms energy: -517.097047 where: bonds (distance) C4'-P energy: -112.395 bonds (distance) P-C4' energy: -114.651 flat angles C4'-P-C4' energy: -103.789 flat angles P-C4'-P energy: -83.861 tors. eta vs tors. theta energy: -102.401 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: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1299.072304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.072304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.072304 (E_RNA) where: Base-Base interactions energy: -813.152 where: short stacking energy: -385.319 Base-Backbone interact. energy: -1.874 local terms energy: -484.046805 where: bonds (distance) C4'-P energy: -92.190 bonds (distance) P-C4' energy: -98.855 flat angles C4'-P-C4' energy: -117.609 flat angles P-C4'-P energy: -73.236 tors. eta vs tors. theta energy: -102.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1249.364973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.364973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.364973 (E_RNA) where: Base-Base interactions energy: -757.721 where: short stacking energy: -372.977 Base-Backbone interact. energy: -0.098 local terms energy: -491.546659 where: bonds (distance) C4'-P energy: -100.184 bonds (distance) P-C4' energy: -122.618 flat angles C4'-P-C4' energy: -102.728 flat angles P-C4'-P energy: -73.810 tors. eta vs tors. theta energy: -92.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1066.414241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.414241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.414241 (E_RNA) where: Base-Base interactions energy: -626.556 where: short stacking energy: -314.628 Base-Backbone interact. energy: -2.514 local terms energy: -437.343512 where: bonds (distance) C4'-P energy: -107.006 bonds (distance) P-C4' energy: -102.832 flat angles C4'-P-C4' energy: -93.953 flat angles P-C4'-P energy: -66.590 tors. eta vs tors. theta energy: -66.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -775.669450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.669450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.669450 (E_RNA) where: Base-Base interactions energy: -392.029 where: short stacking energy: -216.902 Base-Backbone interact. energy: -0.931 local terms energy: -382.709088 where: bonds (distance) C4'-P energy: -102.487 bonds (distance) P-C4' energy: -117.468 flat angles C4'-P-C4' energy: -96.928 flat angles P-C4'-P energy: -43.757 tors. eta vs tors. theta energy: -22.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -814.587733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.587733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.587733 (E_RNA) where: Base-Base interactions energy: -458.863 where: short stacking energy: -239.776 Base-Backbone interact. energy: -0.471 local terms energy: -355.254058 where: bonds (distance) C4'-P energy: -73.492 bonds (distance) P-C4' energy: -92.814 flat angles C4'-P-C4' energy: -83.130 flat angles P-C4'-P energy: -58.464 tors. eta vs tors. theta energy: -47.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -558.716235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.716235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.716235 (E_RNA) where: Base-Base interactions energy: -221.320 where: short stacking energy: -153.942 Base-Backbone interact. energy: -2.174 local terms energy: -335.221714 where: bonds (distance) C4'-P energy: -104.027 bonds (distance) P-C4' energy: -109.516 flat angles C4'-P-C4' energy: -77.978 flat angles P-C4'-P energy: -48.722 tors. eta vs tors. theta energy: 5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -499.503710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.503710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.503710 (E_RNA) where: Base-Base interactions energy: -185.387 where: short stacking energy: -127.524 Base-Backbone interact. energy: 5.586 local terms energy: -319.702714 where: bonds (distance) C4'-P energy: -103.806 bonds (distance) P-C4' energy: -86.327 flat angles C4'-P-C4' energy: -96.883 flat angles P-C4'-P energy: -41.727 tors. eta vs tors. theta energy: 9.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -428.411140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.411140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.411140 (E_RNA) where: Base-Base interactions energy: -130.257 where: short stacking energy: -105.355 Base-Backbone interact. energy: 2.853 local terms energy: -301.007197 where: bonds (distance) C4'-P energy: -76.789 bonds (distance) P-C4' energy: -105.103 flat angles C4'-P-C4' energy: -96.480 flat angles P-C4'-P energy: -40.038 tors. eta vs tors. theta energy: 17.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1667.758502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.758502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.758502 (E_RNA) where: Base-Base interactions energy: -1091.875 where: short stacking energy: -475.914 Base-Backbone interact. energy: -3.543 local terms energy: -572.340509 where: bonds (distance) C4'-P energy: -110.926 bonds (distance) P-C4' energy: -111.023 flat angles C4'-P-C4' energy: -124.555 flat angles P-C4'-P energy: -82.469 tors. eta vs tors. theta energy: -143.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1452.461303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.461303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.461303 (E_RNA) where: Base-Base interactions energy: -909.017 where: short stacking energy: -435.280 Base-Backbone interact. energy: 1.080 local terms energy: -544.523696 where: bonds (distance) C4'-P energy: -105.011 bonds (distance) P-C4' energy: -121.249 flat angles C4'-P-C4' energy: -118.469 flat angles P-C4'-P energy: -75.855 tors. eta vs tors. theta energy: -123.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1308.129246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.129246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.129246 (E_RNA) where: Base-Base interactions energy: -834.722 where: short stacking energy: -392.937 Base-Backbone interact. energy: -2.296 local terms energy: -471.111351 where: bonds (distance) C4'-P energy: -93.930 bonds (distance) P-C4' energy: -88.466 flat angles C4'-P-C4' energy: -112.160 flat angles P-C4'-P energy: -80.071 tors. eta vs tors. theta energy: -96.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1234.999920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.999920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.999920 (E_RNA) where: Base-Base interactions energy: -764.738 where: short stacking energy: -365.454 Base-Backbone interact. energy: -0.331 local terms energy: -469.931788 where: bonds (distance) C4'-P energy: -99.600 bonds (distance) P-C4' energy: -108.073 flat angles C4'-P-C4' energy: -98.973 flat angles P-C4'-P energy: -79.425 tors. eta vs tors. theta energy: -83.861 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: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1047.944232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.944232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.944232 (E_RNA) where: Base-Base interactions energy: -613.216 where: short stacking energy: -336.892 Base-Backbone interact. energy: -1.535 local terms energy: -433.192686 where: bonds (distance) C4'-P energy: -98.312 bonds (distance) P-C4' energy: -104.739 flat angles C4'-P-C4' energy: -113.004 flat angles P-C4'-P energy: -46.837 tors. eta vs tors. theta energy: -70.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -816.777324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.777324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.777324 (E_RNA) where: Base-Base interactions energy: -420.709 where: short stacking energy: -228.695 Base-Backbone interact. energy: 4.814 local terms energy: -400.881858 where: bonds (distance) C4'-P energy: -104.007 bonds (distance) P-C4' energy: -113.837 flat angles C4'-P-C4' energy: -108.620 flat angles P-C4'-P energy: -47.278 tors. eta vs tors. theta energy: -27.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -821.873689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.873689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.873689 (E_RNA) where: Base-Base interactions energy: -435.966 where: short stacking energy: -256.210 Base-Backbone interact. energy: -1.378 local terms energy: -384.530398 where: bonds (distance) C4'-P energy: -80.484 bonds (distance) P-C4' energy: -88.079 flat angles C4'-P-C4' energy: -105.132 flat angles P-C4'-P energy: -58.006 tors. eta vs tors. theta energy: -52.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -609.025985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.025985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.025985 (E_RNA) where: Base-Base interactions energy: -238.194 where: short stacking energy: -141.119 Base-Backbone interact. energy: 5.199 local terms energy: -376.030549 where: bonds (distance) C4'-P energy: -106.832 bonds (distance) P-C4' energy: -109.181 flat angles C4'-P-C4' energy: -103.323 flat angles P-C4'-P energy: -56.657 tors. eta vs tors. theta energy: -0.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -461.110552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.110552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.110552 (E_RNA) where: Base-Base interactions energy: -168.330 where: short stacking energy: -124.970 Base-Backbone interact. energy: -1.324 local terms energy: -291.456665 where: bonds (distance) C4'-P energy: -98.173 bonds (distance) P-C4' energy: -85.016 flat angles C4'-P-C4' energy: -73.883 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: 7.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -414.676325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.676325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.676325 (E_RNA) where: Base-Base interactions energy: -115.155 where: short stacking energy: -85.976 Base-Backbone interact. energy: -0.142 local terms energy: -299.378679 where: bonds (distance) C4'-P energy: -102.970 bonds (distance) P-C4' energy: -84.921 flat angles C4'-P-C4' energy: -81.738 flat angles P-C4'-P energy: -48.253 tors. eta vs tors. theta energy: 18.502 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: 33 Temperature: 0.900000 Total energy: -1664.269716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.269716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.269716 (E_RNA) where: Base-Base interactions energy: -1111.185 where: short stacking energy: -493.436 Base-Backbone interact. energy: -3.087 local terms energy: -549.997643 where: bonds (distance) C4'-P energy: -115.474 bonds (distance) P-C4' energy: -98.965 flat angles C4'-P-C4' energy: -113.473 flat angles P-C4'-P energy: -90.155 tors. eta vs tors. theta energy: -131.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1450.249458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.249458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.249458 (E_RNA) where: Base-Base interactions energy: -930.492 where: short stacking energy: -441.698 Base-Backbone interact. energy: 0.173 local terms energy: -519.930761 where: bonds (distance) C4'-P energy: -110.311 bonds (distance) P-C4' energy: -94.005 flat angles C4'-P-C4' energy: -124.419 flat angles P-C4'-P energy: -75.421 tors. eta vs tors. theta energy: -115.773 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: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1336.590426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.590426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.590426 (E_RNA) where: Base-Base interactions energy: -822.028 where: short stacking energy: -393.841 Base-Backbone interact. energy: -2.931 local terms energy: -511.631447 where: bonds (distance) C4'-P energy: -109.274 bonds (distance) P-C4' energy: -98.275 flat angles C4'-P-C4' energy: -123.679 flat angles P-C4'-P energy: -69.722 tors. eta vs tors. theta energy: -110.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1261.935668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.935668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.935668 (E_RNA) where: Base-Base interactions energy: -821.628 where: short stacking energy: -391.621 Base-Backbone interact. energy: -1.824 local terms energy: -438.483696 where: bonds (distance) C4'-P energy: -89.445 bonds (distance) P-C4' energy: -97.515 flat angles C4'-P-C4' energy: -101.320 flat angles P-C4'-P energy: -53.644 tors. eta vs tors. theta energy: -96.559 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: 5, replica: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1097.783826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.783826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.783826 (E_RNA) where: Base-Base interactions energy: -675.778 where: short stacking energy: -319.391 Base-Backbone interact. energy: 1.649 local terms energy: -423.654775 where: bonds (distance) C4'-P energy: -97.550 bonds (distance) P-C4' energy: -91.505 flat angles C4'-P-C4' energy: -99.405 flat angles P-C4'-P energy: -67.169 tors. eta vs tors. theta energy: -68.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -865.800043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.800043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.800043 (E_RNA) where: Base-Base interactions energy: -489.328 where: short stacking energy: -270.192 Base-Backbone interact. energy: -1.108 local terms energy: -375.363913 where: bonds (distance) C4'-P energy: -91.988 bonds (distance) P-C4' energy: -81.524 flat angles C4'-P-C4' energy: -99.874 flat angles P-C4'-P energy: -63.564 tors. eta vs tors. theta energy: -38.415 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: 4 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -854.732275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.732275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.732275 (E_RNA) where: Base-Base interactions energy: -440.047 where: short stacking energy: -248.873 Base-Backbone interact. energy: 0.193 local terms energy: -414.878396 where: bonds (distance) C4'-P energy: -103.852 bonds (distance) P-C4' energy: -105.626 flat angles C4'-P-C4' energy: -91.770 flat angles P-C4'-P energy: -70.086 tors. eta vs tors. theta energy: -43.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -579.462044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.462044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.462044 (E_RNA) where: Base-Base interactions energy: -256.580 where: short stacking energy: -159.250 Base-Backbone interact. energy: -2.047 local terms energy: -320.834312 where: bonds (distance) C4'-P energy: -78.402 bonds (distance) P-C4' energy: -99.737 flat angles C4'-P-C4' energy: -88.083 flat angles P-C4'-P energy: -62.288 tors. eta vs tors. theta energy: 7.676 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: 33 Temperature: 1.300000 Total energy: -519.583855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.583855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.583855 (E_RNA) where: Base-Base interactions energy: -195.788 where: short stacking energy: -117.214 Base-Backbone interact. energy: 1.945 local terms energy: -325.741020 where: bonds (distance) C4'-P energy: -98.278 bonds (distance) P-C4' energy: -106.897 flat angles C4'-P-C4' energy: -84.935 flat angles P-C4'-P energy: -51.469 tors. eta vs tors. theta energy: 15.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -415.291364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.291364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.291364 (E_RNA) where: Base-Base interactions energy: -119.064 where: short stacking energy: -109.019 Base-Backbone interact. energy: 1.350 local terms energy: -297.577265 where: bonds (distance) C4'-P energy: -92.284 bonds (distance) P-C4' energy: -106.560 flat angles C4'-P-C4' energy: -69.490 flat angles P-C4'-P energy: -48.916 tors. eta vs tors. theta energy: 19.672 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: 1, replica: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1699.879144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.879144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.879144 (E_RNA) where: Base-Base interactions energy: -1120.425 where: short stacking energy: -502.677 Base-Backbone interact. energy: -4.351 local terms energy: -575.102546 where: bonds (distance) C4'-P energy: -110.366 bonds (distance) P-C4' energy: -111.868 flat angles C4'-P-C4' energy: -124.098 flat angles P-C4'-P energy: -79.270 tors. eta vs tors. theta energy: -149.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1424.505380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.505380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.505380 (E_RNA) where: Base-Base interactions energy: -934.267 where: short stacking energy: -434.289 Base-Backbone interact. energy: -1.788 local terms energy: -488.450484 where: bonds (distance) C4'-P energy: -104.109 bonds (distance) P-C4' energy: -100.608 flat angles C4'-P-C4' energy: -106.182 flat angles P-C4'-P energy: -70.988 tors. eta vs tors. theta energy: -106.563 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: 34 Temperature: 1.000000 Total energy: -1381.585190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.585190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.585190 (E_RNA) where: Base-Base interactions energy: -870.199 where: short stacking energy: -393.878 Base-Backbone interact. energy: -2.301 local terms energy: -509.085085 where: bonds (distance) C4'-P energy: -114.506 bonds (distance) P-C4' energy: -108.248 flat angles C4'-P-C4' energy: -115.995 flat angles P-C4'-P energy: -67.757 tors. eta vs tors. theta energy: -102.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1186.962697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.962697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.962697 (E_RNA) where: Base-Base interactions energy: -713.344 where: short stacking energy: -350.021 Base-Backbone interact. energy: -1.330 local terms energy: -472.288766 where: bonds (distance) C4'-P energy: -112.589 bonds (distance) P-C4' energy: -113.888 flat angles C4'-P-C4' energy: -112.580 flat angles P-C4'-P energy: -58.487 tors. eta vs tors. theta energy: -74.745 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: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1093.785715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.785715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.785715 (E_RNA) where: Base-Base interactions energy: -644.859 where: short stacking energy: -323.483 Base-Backbone interact. energy: -0.815 local terms energy: -448.111814 where: bonds (distance) C4'-P energy: -104.633 bonds (distance) P-C4' energy: -103.676 flat angles C4'-P-C4' energy: -101.808 flat angles P-C4'-P energy: -72.441 tors. eta vs tors. theta energy: -65.554 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: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -834.201856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.201856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.201856 (E_RNA) where: Base-Base interactions energy: -453.058 where: short stacking energy: -248.528 Base-Backbone interact. energy: -0.275 local terms energy: -380.868867 where: bonds (distance) C4'-P energy: -105.240 bonds (distance) P-C4' energy: -113.593 flat angles C4'-P-C4' energy: -82.953 flat angles P-C4'-P energy: -61.179 tors. eta vs tors. theta energy: -17.904 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: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -672.184256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.184256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.184256 (E_RNA) where: Base-Base interactions energy: -310.623 where: short stacking energy: -200.803 Base-Backbone interact. energy: 0.394 local terms energy: -361.955748 where: bonds (distance) C4'-P energy: -98.855 bonds (distance) P-C4' energy: -99.486 flat angles C4'-P-C4' energy: -89.183 flat angles P-C4'-P energy: -59.228 tors. eta vs tors. theta energy: -15.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -561.041451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.041451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.041451 (E_RNA) where: Base-Base interactions energy: -259.677 where: short stacking energy: -161.681 Base-Backbone interact. energy: 0.745 local terms energy: -302.109923 where: bonds (distance) C4'-P energy: -81.155 bonds (distance) P-C4' energy: -90.656 flat angles C4'-P-C4' energy: -81.053 flat angles P-C4'-P energy: -39.846 tors. eta vs tors. theta energy: -9.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -509.972267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.972267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.972267 (E_RNA) where: Base-Base interactions energy: -200.461 where: short stacking energy: -124.048 Base-Backbone interact. energy: 1.433 local terms energy: -310.943853 where: bonds (distance) C4'-P energy: -99.262 bonds (distance) P-C4' energy: -114.292 flat angles C4'-P-C4' energy: -76.304 flat angles P-C4'-P energy: -40.960 tors. eta vs tors. theta energy: 19.875 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: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -415.764843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.764843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.764843 (E_RNA) where: Base-Base interactions energy: -119.374 where: short stacking energy: -96.311 Base-Backbone interact. energy: -0.264 local terms energy: -296.126768 where: bonds (distance) C4'-P energy: -85.758 bonds (distance) P-C4' energy: -97.785 flat angles C4'-P-C4' energy: -85.418 flat angles P-C4'-P energy: -41.041 tors. eta vs tors. theta energy: 13.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1705.836714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.836714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.836714 (E_RNA) where: Base-Base interactions energy: -1145.785 where: short stacking energy: -488.360 Base-Backbone interact. energy: -3.879 local terms energy: -556.173122 where: bonds (distance) C4'-P energy: -95.830 bonds (distance) P-C4' energy: -105.324 flat angles C4'-P-C4' energy: -129.553 flat angles P-C4'-P energy: -88.624 tors. eta vs tors. theta energy: -136.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1498.751528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.751528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.751528 (E_RNA) where: Base-Base interactions energy: -971.271 where: short stacking energy: -448.840 Base-Backbone interact. energy: -2.802 local terms energy: -524.678416 where: bonds (distance) C4'-P energy: -94.183 bonds (distance) P-C4' energy: -118.928 flat angles C4'-P-C4' energy: -110.532 flat angles P-C4'-P energy: -79.051 tors. eta vs tors. theta energy: -121.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1401.738803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.738803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.738803 (E_RNA) where: Base-Base interactions energy: -918.837 where: short stacking energy: -415.163 Base-Backbone interact. energy: -1.394 local terms energy: -481.507530 where: bonds (distance) C4'-P energy: -104.843 bonds (distance) P-C4' energy: -104.448 flat angles C4'-P-C4' energy: -113.668 flat angles P-C4'-P energy: -56.852 tors. eta vs tors. theta energy: -101.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1246.429703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.429703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.429703 (E_RNA) where: Base-Base interactions energy: -736.097 where: short stacking energy: -404.266 Base-Backbone interact. energy: -2.909 local terms energy: -507.423594 where: bonds (distance) C4'-P energy: -98.003 bonds (distance) P-C4' energy: -114.533 flat angles C4'-P-C4' energy: -105.805 flat angles P-C4'-P energy: -82.904 tors. eta vs tors. theta energy: -106.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1094.303019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.303019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.303019 (E_RNA) where: Base-Base interactions energy: -668.012 where: short stacking energy: -332.348 Base-Backbone interact. energy: -2.396 local terms energy: -423.894260 where: bonds (distance) C4'-P energy: -90.726 bonds (distance) P-C4' energy: -108.778 flat angles C4'-P-C4' energy: -96.978 flat angles P-C4'-P energy: -56.297 tors. eta vs tors. theta energy: -71.115 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: 35 Temperature: 1.150000 Total energy: -859.302883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.302883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.302883 (E_RNA) where: Base-Base interactions energy: -464.641 where: short stacking energy: -253.173 Base-Backbone interact. energy: -2.505 local terms energy: -392.157181 where: bonds (distance) C4'-P energy: -94.817 bonds (distance) P-C4' energy: -99.814 flat angles C4'-P-C4' energy: -88.566 flat angles P-C4'-P energy: -73.379 tors. eta vs tors. theta energy: -35.581 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: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -691.474223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.474223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.474223 (E_RNA) where: Base-Base interactions energy: -316.136 where: short stacking energy: -200.131 Base-Backbone interact. energy: 0.069 local terms energy: -375.407024 where: bonds (distance) C4'-P energy: -93.554 bonds (distance) P-C4' energy: -110.385 flat angles C4'-P-C4' energy: -93.903 flat angles P-C4'-P energy: -55.950 tors. eta vs tors. theta energy: -21.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -533.912183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.912183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.912183 (E_RNA) where: Base-Base interactions energy: -200.020 where: short stacking energy: -133.626 Base-Backbone interact. energy: 1.725 local terms energy: -335.616995 where: bonds (distance) C4'-P energy: -113.250 bonds (distance) P-C4' energy: -103.700 flat angles C4'-P-C4' energy: -92.557 flat angles P-C4'-P energy: -42.153 tors. eta vs tors. theta energy: 16.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -460.045945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.045945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.045945 (E_RNA) where: Base-Base interactions energy: -153.547 where: short stacking energy: -117.128 Base-Backbone interact. energy: -2.663 local terms energy: -303.835694 where: bonds (distance) C4'-P energy: -84.205 bonds (distance) P-C4' energy: -95.857 flat angles C4'-P-C4' energy: -81.704 flat angles P-C4'-P energy: -56.834 tors. eta vs tors. theta energy: 14.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -409.759050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.759050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.759050 (E_RNA) where: Base-Base interactions energy: -140.972 where: short stacking energy: -103.639 Base-Backbone interact. energy: -0.806 local terms energy: -267.980365 where: bonds (distance) C4'-P energy: -83.583 bonds (distance) P-C4' energy: -81.149 flat angles C4'-P-C4' energy: -85.381 flat angles P-C4'-P energy: -55.724 tors. eta vs tors. theta energy: 37.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1717.701399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.701399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.701399 (E_RNA) where: Base-Base interactions energy: -1156.827 where: short stacking energy: -509.600 Base-Backbone interact. energy: -2.210 local terms energy: -558.664352 where: bonds (distance) C4'-P energy: -102.224 bonds (distance) P-C4' energy: -109.273 flat angles C4'-P-C4' energy: -109.588 flat angles P-C4'-P energy: -85.512 tors. eta vs tors. theta energy: -152.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1485.002402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.002402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.002402 (E_RNA) where: Base-Base interactions energy: -972.615 where: short stacking energy: -475.049 Base-Backbone interact. energy: -3.470 local terms energy: -508.916926 where: bonds (distance) C4'-P energy: -95.613 bonds (distance) P-C4' energy: -102.965 flat angles C4'-P-C4' energy: -116.968 flat angles P-C4'-P energy: -65.804 tors. eta vs tors. theta energy: -127.567 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: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1400.830150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.830150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.830150 (E_RNA) where: Base-Base interactions energy: -900.384 where: short stacking energy: -412.847 Base-Backbone interact. energy: 0.191 local terms energy: -500.637165 where: bonds (distance) C4'-P energy: -103.864 bonds (distance) P-C4' energy: -108.948 flat angles C4'-P-C4' energy: -111.574 flat angles P-C4'-P energy: -63.556 tors. eta vs tors. theta energy: -112.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1156.045566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.045566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.045566 (E_RNA) where: Base-Base interactions energy: -678.311 where: short stacking energy: -331.688 Base-Backbone interact. energy: -3.233 local terms energy: -474.501105 where: bonds (distance) C4'-P energy: -111.052 bonds (distance) P-C4' energy: -110.092 flat angles C4'-P-C4' energy: -113.381 flat angles P-C4'-P energy: -62.961 tors. eta vs tors. theta energy: -77.015 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: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1093.136789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.136789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.136789 (E_RNA) where: Base-Base interactions energy: -616.306 where: short stacking energy: -307.488 Base-Backbone interact. energy: 0.054 local terms energy: -476.884837 where: bonds (distance) C4'-P energy: -100.101 bonds (distance) P-C4' energy: -111.746 flat angles C4'-P-C4' energy: -107.788 flat angles P-C4'-P energy: -80.005 tors. eta vs tors. theta energy: -77.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -852.157070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.157070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.157070 (E_RNA) where: Base-Base interactions energy: -472.524 where: short stacking energy: -251.000 Base-Backbone interact. energy: 1.253 local terms energy: -380.886424 where: bonds (distance) C4'-P energy: -91.746 bonds (distance) P-C4' energy: -102.864 flat angles C4'-P-C4' energy: -102.613 flat angles P-C4'-P energy: -51.579 tors. eta vs tors. theta energy: -32.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -719.273058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.273058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.273058 (E_RNA) where: Base-Base interactions energy: -349.839 where: short stacking energy: -226.208 Base-Backbone interact. energy: -0.990 local terms energy: -368.443705 where: bonds (distance) C4'-P energy: -96.516 bonds (distance) P-C4' energy: -96.193 flat angles C4'-P-C4' energy: -93.468 flat angles P-C4'-P energy: -53.492 tors. eta vs tors. theta energy: -28.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -511.148132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.148132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.148132 (E_RNA) where: Base-Base interactions energy: -173.023 where: short stacking energy: -164.010 Base-Backbone interact. energy: -0.140 local terms energy: -337.985117 where: bonds (distance) C4'-P energy: -89.345 bonds (distance) P-C4' energy: -110.568 flat angles C4'-P-C4' energy: -89.897 flat angles P-C4'-P energy: -42.464 tors. eta vs tors. theta energy: -5.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -483.334352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.334352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.334352 (E_RNA) where: Base-Base interactions energy: -176.718 where: short stacking energy: -147.836 Base-Backbone interact. energy: -4.165 local terms energy: -302.451514 where: bonds (distance) C4'-P energy: -104.170 bonds (distance) P-C4' energy: -86.618 flat angles C4'-P-C4' energy: -72.154 flat angles P-C4'-P energy: -40.262 tors. eta vs tors. theta energy: 0.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -435.360199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.360199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.360199 (E_RNA) where: Base-Base interactions energy: -137.108 where: short stacking energy: -92.867 Base-Backbone interact. energy: 0.456 local terms energy: -298.708335 where: bonds (distance) C4'-P energy: -97.245 bonds (distance) P-C4' energy: -87.119 flat angles C4'-P-C4' energy: -93.996 flat angles P-C4'-P energy: -46.372 tors. eta vs tors. theta energy: 26.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1730.870627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.870627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.870627 (E_RNA) where: Base-Base interactions energy: -1155.623 where: short stacking energy: -507.544 Base-Backbone interact. energy: -3.348 local terms energy: -571.899343 where: bonds (distance) C4'-P energy: -104.426 bonds (distance) P-C4' energy: -126.041 flat angles C4'-P-C4' energy: -112.410 flat angles P-C4'-P energy: -79.636 tors. eta vs tors. theta energy: -149.387 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: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1460.589277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.589277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.589277 (E_RNA) where: Base-Base interactions energy: -922.493 where: short stacking energy: -431.980 Base-Backbone interact. energy: 1.214 local terms energy: -539.310264 where: bonds (distance) C4'-P energy: -116.826 bonds (distance) P-C4' energy: -115.633 flat angles C4'-P-C4' energy: -116.146 flat angles P-C4'-P energy: -71.166 tors. eta vs tors. theta energy: -119.540 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: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1407.873124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.873124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.873124 (E_RNA) where: Base-Base interactions energy: -908.976 where: short stacking energy: -425.350 Base-Backbone interact. energy: 0.493 local terms energy: -499.390377 where: bonds (distance) C4'-P energy: -97.592 bonds (distance) P-C4' energy: -107.646 flat angles C4'-P-C4' energy: -111.926 flat angles P-C4'-P energy: -75.985 tors. eta vs tors. theta energy: -106.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1222.208397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.208397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.208397 (E_RNA) where: Base-Base interactions energy: -743.169 where: short stacking energy: -374.409 Base-Backbone interact. energy: -3.790 local terms energy: -475.249064 where: bonds (distance) C4'-P energy: -115.730 bonds (distance) P-C4' energy: -109.743 flat angles C4'-P-C4' energy: -102.851 flat angles P-C4'-P energy: -62.437 tors. eta vs tors. theta energy: -84.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1094.110418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.110418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.110418 (E_RNA) where: Base-Base interactions energy: -656.962 where: short stacking energy: -307.750 Base-Backbone interact. energy: 0.389 local terms energy: -437.538313 where: bonds (distance) C4'-P energy: -88.966 bonds (distance) P-C4' energy: -100.751 flat angles C4'-P-C4' energy: -103.888 flat angles P-C4'-P energy: -69.782 tors. eta vs tors. theta energy: -74.152 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: 37 Temperature: 1.150000 Total energy: -888.498833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.498833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.498833 (E_RNA) where: Base-Base interactions energy: -496.494 where: short stacking energy: -263.937 Base-Backbone interact. energy: -3.795 local terms energy: -388.210640 where: bonds (distance) C4'-P energy: -104.670 bonds (distance) P-C4' energy: -102.525 flat angles C4'-P-C4' energy: -92.560 flat angles P-C4'-P energy: -57.299 tors. eta vs tors. theta energy: -31.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -656.361967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.361967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.361967 (E_RNA) where: Base-Base interactions energy: -314.606 where: short stacking energy: -206.122 Base-Backbone interact. energy: -2.118 local terms energy: -339.638123 where: bonds (distance) C4'-P energy: -94.438 bonds (distance) P-C4' energy: -102.530 flat angles C4'-P-C4' energy: -92.362 flat angles P-C4'-P energy: -34.514 tors. eta vs tors. theta energy: -15.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -497.186615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.186615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.186615 (E_RNA) where: Base-Base interactions energy: -167.725 where: short stacking energy: -153.688 Base-Backbone interact. energy: 0.085 local terms energy: -329.546495 where: bonds (distance) C4'-P energy: -85.812 bonds (distance) P-C4' energy: -98.706 flat angles C4'-P-C4' energy: -85.098 flat angles P-C4'-P energy: -61.778 tors. eta vs tors. theta energy: 1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -486.403082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.403082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.403082 (E_RNA) where: Base-Base interactions energy: -212.073 where: short stacking energy: -131.807 Base-Backbone interact. energy: 2.491 local terms energy: -276.821679 where: bonds (distance) C4'-P energy: -75.533 bonds (distance) P-C4' energy: -76.414 flat angles C4'-P-C4' energy: -86.231 flat angles P-C4'-P energy: -54.559 tors. eta vs tors. theta energy: 15.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -433.134987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.134987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.134987 (E_RNA) where: Base-Base interactions energy: -148.927 where: short stacking energy: -134.378 Base-Backbone interact. energy: -1.087 local terms energy: -283.120432 where: bonds (distance) C4'-P energy: -73.348 bonds (distance) P-C4' energy: -88.851 flat angles C4'-P-C4' energy: -78.445 flat angles P-C4'-P energy: -52.117 tors. eta vs tors. theta energy: 9.640 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: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1724.166457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.166457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.166457 (E_RNA) where: Base-Base interactions energy: -1153.670 where: short stacking energy: -511.698 Base-Backbone interact. energy: -4.146 local terms energy: -566.349826 where: bonds (distance) C4'-P energy: -112.802 bonds (distance) P-C4' energy: -115.402 flat angles C4'-P-C4' energy: -114.055 flat angles P-C4'-P energy: -77.286 tors. eta vs tors. theta energy: -146.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1451.419989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.419989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.419989 (E_RNA) where: Base-Base interactions energy: -940.106 where: short stacking energy: -428.283 Base-Backbone interact. energy: 2.723 local terms energy: -514.036802 where: bonds (distance) C4'-P energy: -103.807 bonds (distance) P-C4' energy: -115.481 flat angles C4'-P-C4' energy: -110.979 flat angles P-C4'-P energy: -63.422 tors. eta vs tors. theta energy: -120.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1403.367618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.367618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.367618 (E_RNA) where: Base-Base interactions energy: -902.685 where: short stacking energy: -410.013 Base-Backbone interact. energy: -1.503 local terms energy: -499.179012 where: bonds (distance) C4'-P energy: -99.566 bonds (distance) P-C4' energy: -102.974 flat angles C4'-P-C4' energy: -106.621 flat angles P-C4'-P energy: -76.446 tors. eta vs tors. theta energy: -113.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1219.761983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.761983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.761983 (E_RNA) where: Base-Base interactions energy: -746.204 where: short stacking energy: -390.269 Base-Backbone interact. energy: 0.308 local terms energy: -473.866021 where: bonds (distance) C4'-P energy: -81.242 bonds (distance) P-C4' energy: -111.170 flat angles C4'-P-C4' energy: -111.286 flat angles P-C4'-P energy: -67.886 tors. eta vs tors. theta energy: -102.282 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: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1137.235321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.235321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.235321 (E_RNA) where: Base-Base interactions energy: -703.343 where: short stacking energy: -338.734 Base-Backbone interact. energy: 0.705 local terms energy: -434.597902 where: bonds (distance) C4'-P energy: -97.091 bonds (distance) P-C4' energy: -84.177 flat angles C4'-P-C4' energy: -95.818 flat angles P-C4'-P energy: -77.729 tors. eta vs tors. theta energy: -79.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -940.046068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.046068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.046068 (E_RNA) where: Base-Base interactions energy: -537.036 where: short stacking energy: -252.148 Base-Backbone interact. energy: 1.030 local terms energy: -404.039271 where: bonds (distance) C4'-P energy: -111.542 bonds (distance) P-C4' energy: -111.525 flat angles C4'-P-C4' energy: -93.865 flat angles P-C4'-P energy: -49.560 tors. eta vs tors. theta energy: -37.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -540.241459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.241459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.241459 (E_RNA) where: Base-Base interactions energy: -197.229 where: short stacking energy: -176.177 Base-Backbone interact. energy: 0.433 local terms energy: -343.445185 where: bonds (distance) C4'-P energy: -87.500 bonds (distance) P-C4' energy: -99.235 flat angles C4'-P-C4' energy: -78.236 flat angles P-C4'-P energy: -67.584 tors. eta vs tors. theta energy: -10.890 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: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -644.436563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.436563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.436563 (E_RNA) where: Base-Base interactions energy: -303.229 where: short stacking energy: -195.481 Base-Backbone interact. energy: -0.810 local terms energy: -340.397260 where: bonds (distance) C4'-P energy: -90.074 bonds (distance) P-C4' energy: -98.928 flat angles C4'-P-C4' energy: -89.478 flat angles P-C4'-P energy: -48.878 tors. eta vs tors. theta energy: -13.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -519.548730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.548730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.548730 (E_RNA) where: Base-Base interactions energy: -224.402 where: short stacking energy: -135.809 Base-Backbone interact. energy: -1.744 local terms energy: -293.402612 where: bonds (distance) C4'-P energy: -85.519 bonds (distance) P-C4' energy: -94.948 flat angles C4'-P-C4' energy: -93.152 flat angles P-C4'-P energy: -24.854 tors. eta vs tors. theta energy: 5.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -435.195273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.195273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.195273 (E_RNA) where: Base-Base interactions energy: -136.774 where: short stacking energy: -123.833 Base-Backbone interact. energy: -2.139 local terms energy: -296.281459 where: bonds (distance) C4'-P energy: -94.059 bonds (distance) P-C4' energy: -85.838 flat angles C4'-P-C4' energy: -85.418 flat angles P-C4'-P energy: -55.452 tors. eta vs tors. theta energy: 24.484 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: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1730.005705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.005705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.005705 (E_RNA) where: Base-Base interactions energy: -1173.273 where: short stacking energy: -535.919 Base-Backbone interact. energy: -0.787 local terms energy: -555.946452 where: bonds (distance) C4'-P energy: -110.756 bonds (distance) P-C4' energy: -104.963 flat angles C4'-P-C4' energy: -114.950 flat angles P-C4'-P energy: -74.846 tors. eta vs tors. theta energy: -150.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1474.976445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.976445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.976445 (E_RNA) where: Base-Base interactions energy: -961.640 where: short stacking energy: -423.317 Base-Backbone interact. energy: -8.155 local terms energy: -505.182206 where: bonds (distance) C4'-P energy: -100.194 bonds (distance) P-C4' energy: -118.339 flat angles C4'-P-C4' energy: -110.270 flat angles P-C4'-P energy: -71.710 tors. eta vs tors. theta energy: -104.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1371.068626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.068626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.068626 (E_RNA) where: Base-Base interactions energy: -882.626 where: short stacking energy: -429.017 Base-Backbone interact. energy: -1.208 local terms energy: -487.234125 where: bonds (distance) C4'-P energy: -111.114 bonds (distance) P-C4' energy: -94.540 flat angles C4'-P-C4' energy: -111.613 flat angles P-C4'-P energy: -67.288 tors. eta vs tors. theta energy: -102.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1228.305974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.305974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.305974 (E_RNA) where: Base-Base interactions energy: -739.947 where: short stacking energy: -381.293 Base-Backbone interact. energy: -2.106 local terms energy: -486.253227 where: bonds (distance) C4'-P energy: -88.474 bonds (distance) P-C4' energy: -111.067 flat angles C4'-P-C4' energy: -111.364 flat angles P-C4'-P energy: -68.128 tors. eta vs tors. theta energy: -107.221 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: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1119.946606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.946606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.946606 (E_RNA) where: Base-Base interactions energy: -667.887 where: short stacking energy: -328.868 Base-Backbone interact. energy: -0.833 local terms energy: -451.227269 where: bonds (distance) C4'-P energy: -108.502 bonds (distance) P-C4' energy: -105.756 flat angles C4'-P-C4' energy: -88.008 flat angles P-C4'-P energy: -71.879 tors. eta vs tors. theta energy: -77.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -897.987345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.987345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.987345 (E_RNA) where: Base-Base interactions energy: -510.539 where: short stacking energy: -298.191 Base-Backbone interact. energy: 0.023 local terms energy: -387.471217 where: bonds (distance) C4'-P energy: -82.058 bonds (distance) P-C4' energy: -100.430 flat angles C4'-P-C4' energy: -99.809 flat angles P-C4'-P energy: -54.503 tors. eta vs tors. theta energy: -50.671 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: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -593.712057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.712057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.712057 (E_RNA) where: Base-Base interactions energy: -223.882 where: short stacking energy: -147.937 Base-Backbone interact. energy: 2.011 local terms energy: -371.841294 where: bonds (distance) C4'-P energy: -103.011 bonds (distance) P-C4' energy: -111.745 flat angles C4'-P-C4' energy: -99.877 flat angles P-C4'-P energy: -58.932 tors. eta vs tors. theta energy: 1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -678.067337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.067337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.067337 (E_RNA) where: Base-Base interactions energy: -345.918 where: short stacking energy: -198.065 Base-Backbone interact. energy: -0.903 local terms energy: -331.246984 where: bonds (distance) C4'-P energy: -73.289 bonds (distance) P-C4' energy: -101.251 flat angles C4'-P-C4' energy: -87.767 flat angles P-C4'-P energy: -34.077 tors. eta vs tors. theta energy: -34.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -475.748966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.748966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.748966 (E_RNA) where: Base-Base interactions energy: -190.362 where: short stacking energy: -153.336 Base-Backbone interact. energy: -3.618 local terms energy: -281.768463 where: bonds (distance) C4'-P energy: -93.786 bonds (distance) P-C4' energy: -84.559 flat angles C4'-P-C4' energy: -65.673 flat angles P-C4'-P energy: -45.283 tors. eta vs tors. theta energy: 7.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -402.837855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.837855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.837855 (E_RNA) where: Base-Base interactions energy: -120.608 where: short stacking energy: -100.099 Base-Backbone interact. energy: -1.965 local terms energy: -280.264698 where: bonds (distance) C4'-P energy: -97.468 bonds (distance) P-C4' energy: -84.057 flat angles C4'-P-C4' energy: -73.502 flat angles P-C4'-P energy: -47.347 tors. eta vs tors. theta energy: 22.110 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: 40 Temperature: 0.900000 Total energy: -1746.673306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.673306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.673306 (E_RNA) where: Base-Base interactions energy: -1165.073 where: short stacking energy: -498.527 Base-Backbone interact. energy: -1.159 local terms energy: -580.441339 where: bonds (distance) C4'-P energy: -117.069 bonds (distance) P-C4' energy: -121.469 flat angles C4'-P-C4' energy: -126.927 flat angles P-C4'-P energy: -81.760 tors. eta vs tors. theta energy: -133.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1514.229753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.229753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.229753 (E_RNA) where: Base-Base interactions energy: -963.438 where: short stacking energy: -423.494 Base-Backbone interact. energy: -1.537 local terms energy: -549.254944 where: bonds (distance) C4'-P energy: -106.449 bonds (distance) P-C4' energy: -123.916 flat angles C4'-P-C4' energy: -122.003 flat angles P-C4'-P energy: -73.217 tors. eta vs tors. theta energy: -123.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1282.507304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.507304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.507304 (E_RNA) where: Base-Base interactions energy: -784.701 where: short stacking energy: -375.509 Base-Backbone interact. energy: 1.959 local terms energy: -499.765242 where: bonds (distance) C4'-P energy: -109.969 bonds (distance) P-C4' energy: -97.181 flat angles C4'-P-C4' energy: -119.264 flat angles P-C4'-P energy: -76.787 tors. eta vs tors. theta energy: -96.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1243.764459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.764459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.764459 (E_RNA) where: Base-Base interactions energy: -791.001 where: short stacking energy: -385.193 Base-Backbone interact. energy: -1.111 local terms energy: -451.652388 where: bonds (distance) C4'-P energy: -97.423 bonds (distance) P-C4' energy: -97.748 flat angles C4'-P-C4' energy: -100.718 flat angles P-C4'-P energy: -61.111 tors. eta vs tors. theta energy: -94.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1123.961283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.961283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.961283 (E_RNA) where: Base-Base interactions energy: -665.994 where: short stacking energy: -321.472 Base-Backbone interact. energy: -2.954 local terms energy: -455.013731 where: bonds (distance) C4'-P energy: -99.961 bonds (distance) P-C4' energy: -104.395 flat angles C4'-P-C4' energy: -99.121 flat angles P-C4'-P energy: -69.088 tors. eta vs tors. theta energy: -82.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -919.016967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.016967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.016967 (E_RNA) where: Base-Base interactions energy: -505.743 where: short stacking energy: -289.256 Base-Backbone interact. energy: 0.300 local terms energy: -413.573704 where: bonds (distance) C4'-P energy: -95.288 bonds (distance) P-C4' energy: -108.242 flat angles C4'-P-C4' energy: -97.845 flat angles P-C4'-P energy: -52.422 tors. eta vs tors. theta energy: -59.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -618.544314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.544314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.544314 (E_RNA) where: Base-Base interactions energy: -276.970 where: short stacking energy: -171.013 Base-Backbone interact. energy: 0.894 local terms energy: -342.468302 where: bonds (distance) C4'-P energy: -87.913 bonds (distance) P-C4' energy: -112.153 flat angles C4'-P-C4' energy: -99.156 flat angles P-C4'-P energy: -44.094 tors. eta vs tors. theta energy: 0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -607.290450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.290450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.290450 (E_RNA) where: Base-Base interactions energy: -288.715 where: short stacking energy: -186.831 Base-Backbone interact. energy: -0.410 local terms energy: -318.165186 where: bonds (distance) C4'-P energy: -85.949 bonds (distance) P-C4' energy: -102.188 flat angles C4'-P-C4' energy: -75.830 flat angles P-C4'-P energy: -48.746 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -509.698332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.698332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.698332 (E_RNA) where: Base-Base interactions energy: -198.755 where: short stacking energy: -152.963 Base-Backbone interact. energy: 4.156 local terms energy: -315.099805 where: bonds (distance) C4'-P energy: -72.386 bonds (distance) P-C4' energy: -107.096 flat angles C4'-P-C4' energy: -69.361 flat angles P-C4'-P energy: -52.524 tors. eta vs tors. theta energy: -13.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -435.804487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.804487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.804487 (E_RNA) where: Base-Base interactions energy: -164.908 where: short stacking energy: -119.617 Base-Backbone interact. energy: -2.220 local terms energy: -268.677112 where: bonds (distance) C4'-P energy: -81.109 bonds (distance) P-C4' energy: -85.441 flat angles C4'-P-C4' energy: -85.052 flat angles P-C4'-P energy: -37.007 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: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1726.167335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.167335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.167335 (E_RNA) where: Base-Base interactions energy: -1169.282 where: short stacking energy: -527.664 Base-Backbone interact. energy: 5.904 local terms energy: -562.789460 where: bonds (distance) C4'-P energy: -105.232 bonds (distance) P-C4' energy: -109.474 flat angles C4'-P-C4' energy: -118.838 flat angles P-C4'-P energy: -83.989 tors. eta vs tors. theta energy: -145.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1519.169704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.169704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.169704 (E_RNA) where: Base-Base interactions energy: -991.637 where: short stacking energy: -454.355 Base-Backbone interact. energy: -1.319 local terms energy: -526.214241 where: bonds (distance) C4'-P energy: -97.662 bonds (distance) P-C4' energy: -109.456 flat angles C4'-P-C4' energy: -116.352 flat angles P-C4'-P energy: -71.839 tors. eta vs tors. theta energy: -130.906 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: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1364.752960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.752960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.752960 (E_RNA) where: Base-Base interactions energy: -855.834 where: short stacking energy: -406.313 Base-Backbone interact. energy: 1.531 local terms energy: -510.449696 where: bonds (distance) C4'-P energy: -116.145 bonds (distance) P-C4' energy: -108.376 flat angles C4'-P-C4' energy: -101.760 flat angles P-C4'-P energy: -70.113 tors. eta vs tors. theta energy: -114.056 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: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1233.223026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.223026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.223026 (E_RNA) where: Base-Base interactions energy: -770.162 where: short stacking energy: -375.665 Base-Backbone interact. energy: 4.041 local terms energy: -467.102204 where: bonds (distance) C4'-P energy: -109.987 bonds (distance) P-C4' energy: -103.880 flat angles C4'-P-C4' energy: -115.682 flat angles P-C4'-P energy: -55.421 tors. eta vs tors. theta energy: -82.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1128.142965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.142965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.142965 (E_RNA) where: Base-Base interactions energy: -683.311 where: short stacking energy: -298.369 Base-Backbone interact. energy: -3.040 local terms energy: -441.791726 where: bonds (distance) C4'-P energy: -106.643 bonds (distance) P-C4' energy: -111.657 flat angles C4'-P-C4' energy: -92.625 flat angles P-C4'-P energy: -60.957 tors. eta vs tors. theta energy: -69.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -895.339386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.339386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.339386 (E_RNA) where: Base-Base interactions energy: -486.637 where: short stacking energy: -277.614 Base-Backbone interact. energy: -1.157 local terms energy: -407.545464 where: bonds (distance) C4'-P energy: -94.589 bonds (distance) P-C4' energy: -105.232 flat angles C4'-P-C4' energy: -94.606 flat angles P-C4'-P energy: -65.835 tors. eta vs tors. theta energy: -47.282 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: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -637.867198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.867198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.867198 (E_RNA) where: Base-Base interactions energy: -299.426 where: short stacking energy: -195.602 Base-Backbone interact. energy: 4.379 local terms energy: -342.819985 where: bonds (distance) C4'-P energy: -91.547 bonds (distance) P-C4' energy: -105.552 flat angles C4'-P-C4' energy: -90.650 flat angles P-C4'-P energy: -50.402 tors. eta vs tors. theta energy: -4.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -625.213421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.213421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.213421 (E_RNA) where: Base-Base interactions energy: -295.103 where: short stacking energy: -174.150 Base-Backbone interact. energy: -0.384 local terms energy: -329.725880 where: bonds (distance) C4'-P energy: -88.398 bonds (distance) P-C4' energy: -96.341 flat angles C4'-P-C4' energy: -87.542 flat angles P-C4'-P energy: -53.168 tors. eta vs tors. theta energy: -4.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -462.209064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.209064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.209064 (E_RNA) where: Base-Base interactions energy: -209.010 where: short stacking energy: -128.352 Base-Backbone interact. energy: -2.002 local terms energy: -251.197087 where: bonds (distance) C4'-P energy: -86.727 bonds (distance) P-C4' energy: -67.264 flat angles C4'-P-C4' energy: -79.980 flat angles P-C4'-P energy: -45.103 tors. eta vs tors. theta energy: 27.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -425.174200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.174200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.174200 (E_RNA) where: Base-Base interactions energy: -133.266 where: short stacking energy: -117.930 Base-Backbone interact. energy: 2.893 local terms energy: -294.801242 where: bonds (distance) C4'-P energy: -108.733 bonds (distance) P-C4' energy: -97.774 flat angles C4'-P-C4' energy: -62.872 flat angles P-C4'-P energy: -52.373 tors. eta vs tors. theta energy: 26.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1723.696661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.696661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.696661 (E_RNA) where: Base-Base interactions energy: -1151.488 where: short stacking energy: -521.471 Base-Backbone interact. energy: -3.337 local terms energy: -568.871669 where: bonds (distance) C4'-P energy: -115.216 bonds (distance) P-C4' energy: -104.818 flat angles C4'-P-C4' energy: -123.227 flat angles P-C4'-P energy: -83.248 tors. eta vs tors. theta energy: -142.363 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: 2, replica: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1576.235562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.235562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.235562 (E_RNA) where: Base-Base interactions energy: -1058.363 where: short stacking energy: -456.673 Base-Backbone interact. energy: -3.695 local terms energy: -514.177533 where: bonds (distance) C4'-P energy: -97.387 bonds (distance) P-C4' energy: -109.449 flat angles C4'-P-C4' energy: -111.999 flat angles P-C4'-P energy: -69.841 tors. eta vs tors. theta energy: -125.501 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: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1381.122564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.122564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.122564 (E_RNA) where: Base-Base interactions energy: -892.454 where: short stacking energy: -386.855 Base-Backbone interact. energy: -3.845 local terms energy: -484.823944 where: bonds (distance) C4'-P energy: -109.534 bonds (distance) P-C4' energy: -105.006 flat angles C4'-P-C4' energy: -110.188 flat angles P-C4'-P energy: -65.606 tors. eta vs tors. theta energy: -94.489 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: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1252.156083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.156083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.156083 (E_RNA) where: Base-Base interactions energy: -766.271 where: short stacking energy: -348.743 Base-Backbone interact. energy: 0.632 local terms energy: -486.517566 where: bonds (distance) C4'-P energy: -101.948 bonds (distance) P-C4' energy: -105.062 flat angles C4'-P-C4' energy: -117.038 flat angles P-C4'-P energy: -71.517 tors. eta vs tors. theta energy: -90.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1171.753333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.753333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.753333 (E_RNA) where: Base-Base interactions energy: -715.640 where: short stacking energy: -344.172 Base-Backbone interact. energy: -1.828 local terms energy: -454.284717 where: bonds (distance) C4'-P energy: -117.206 bonds (distance) P-C4' energy: -97.273 flat angles C4'-P-C4' energy: -100.164 flat angles P-C4'-P energy: -59.845 tors. eta vs tors. theta energy: -79.797 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: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -972.444779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.444779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.444779 (E_RNA) where: Base-Base interactions energy: -554.749 where: short stacking energy: -256.594 Base-Backbone interact. energy: -1.908 local terms energy: -415.787765 where: bonds (distance) C4'-P energy: -115.135 bonds (distance) P-C4' energy: -89.236 flat angles C4'-P-C4' energy: -111.660 flat angles P-C4'-P energy: -48.687 tors. eta vs tors. theta energy: -51.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -657.806777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.806777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.806777 (E_RNA) where: Base-Base interactions energy: -305.230 where: short stacking energy: -200.101 Base-Backbone interact. energy: -0.738 local terms energy: -351.837905 where: bonds (distance) C4'-P energy: -92.603 bonds (distance) P-C4' energy: -91.281 flat angles C4'-P-C4' energy: -99.731 flat angles P-C4'-P energy: -41.112 tors. eta vs tors. theta energy: -27.111 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: 4 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -594.497730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.497730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.497730 (E_RNA) where: Base-Base interactions energy: -275.806 where: short stacking energy: -190.604 Base-Backbone interact. energy: 0.053 local terms energy: -318.744959 where: bonds (distance) C4'-P energy: -83.892 bonds (distance) P-C4' energy: -79.846 flat angles C4'-P-C4' energy: -96.754 flat angles P-C4'-P energy: -54.070 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -461.053803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.053803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.053803 (E_RNA) where: Base-Base interactions energy: -169.228 where: short stacking energy: -132.559 Base-Backbone interact. energy: 3.823 local terms energy: -295.648800 where: bonds (distance) C4'-P energy: -81.803 bonds (distance) P-C4' energy: -108.513 flat angles C4'-P-C4' energy: -75.549 flat angles P-C4'-P energy: -53.342 tors. eta vs tors. theta energy: 23.558 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: 42 Temperature: 1.350000 Total energy: -409.934951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.934951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.934951 (E_RNA) where: Base-Base interactions energy: -143.974 where: short stacking energy: -110.604 Base-Backbone interact. energy: -1.376 local terms energy: -264.585255 where: bonds (distance) C4'-P energy: -72.585 bonds (distance) P-C4' energy: -91.913 flat angles C4'-P-C4' energy: -81.265 flat angles P-C4'-P energy: -41.343 tors. eta vs tors. theta energy: 22.521 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: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1703.076560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.076560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.076560 (E_RNA) where: Base-Base interactions energy: -1133.541 where: short stacking energy: -486.731 Base-Backbone interact. energy: -6.057 local terms energy: -563.478782 where: bonds (distance) C4'-P energy: -106.737 bonds (distance) P-C4' energy: -106.914 flat angles C4'-P-C4' energy: -121.983 flat angles P-C4'-P energy: -85.523 tors. eta vs tors. theta energy: -142.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1570.861861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.861861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.861861 (E_RNA) where: Base-Base interactions energy: -1045.008 where: short stacking energy: -471.391 Base-Backbone interact. energy: -3.096 local terms energy: -522.758231 where: bonds (distance) C4'-P energy: -103.813 bonds (distance) P-C4' energy: -107.749 flat angles C4'-P-C4' energy: -118.368 flat angles P-C4'-P energy: -63.993 tors. eta vs tors. theta energy: -128.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1413.346414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.346414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.346414 (E_RNA) where: Base-Base interactions energy: -912.629 where: short stacking energy: -406.672 Base-Backbone interact. energy: -3.479 local terms energy: -497.238876 where: bonds (distance) C4'-P energy: -92.510 bonds (distance) P-C4' energy: -108.693 flat angles C4'-P-C4' energy: -108.577 flat angles P-C4'-P energy: -75.567 tors. eta vs tors. theta energy: -111.893 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: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1252.224524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.224524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.224524 (E_RNA) where: Base-Base interactions energy: -794.490 where: short stacking energy: -369.887 Base-Backbone interact. energy: -1.214 local terms energy: -456.521079 where: bonds (distance) C4'-P energy: -99.456 bonds (distance) P-C4' energy: -105.933 flat angles C4'-P-C4' energy: -100.094 flat angles P-C4'-P energy: -62.146 tors. eta vs tors. theta energy: -88.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1230.807846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.807846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.807846 (E_RNA) where: Base-Base interactions energy: -761.810 where: short stacking energy: -373.082 Base-Backbone interact. energy: -2.178 local terms energy: -466.820384 where: bonds (distance) C4'-P energy: -108.036 bonds (distance) P-C4' energy: -95.139 flat angles C4'-P-C4' energy: -107.825 flat angles P-C4'-P energy: -67.539 tors. eta vs tors. theta energy: -88.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -906.345180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.345180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.345180 (E_RNA) where: Base-Base interactions energy: -503.325 where: short stacking energy: -248.845 Base-Backbone interact. energy: -2.898 local terms energy: -400.121705 where: bonds (distance) C4'-P energy: -90.973 bonds (distance) P-C4' energy: -105.186 flat angles C4'-P-C4' energy: -106.194 flat angles P-C4'-P energy: -63.905 tors. eta vs tors. theta energy: -33.864 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: 43 Temperature: 1.200000 Total energy: -685.104693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.104693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.104693 (E_RNA) where: Base-Base interactions energy: -333.556 where: short stacking energy: -194.802 Base-Backbone interact. energy: 1.852 local terms energy: -353.400464 where: bonds (distance) C4'-P energy: -85.618 bonds (distance) P-C4' energy: -106.381 flat angles C4'-P-C4' energy: -97.226 flat angles P-C4'-P energy: -53.857 tors. eta vs tors. theta energy: -10.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -618.632367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.632367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.632367 (E_RNA) where: Base-Base interactions energy: -285.298 where: short stacking energy: -191.479 Base-Backbone interact. energy: -2.118 local terms energy: -331.216527 where: bonds (distance) C4'-P energy: -79.303 bonds (distance) P-C4' energy: -103.087 flat angles C4'-P-C4' energy: -76.289 flat angles P-C4'-P energy: -53.870 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: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -477.248803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.248803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.248803 (E_RNA) where: Base-Base interactions energy: -176.085 where: short stacking energy: -152.496 Base-Backbone interact. energy: -0.245 local terms energy: -300.918741 where: bonds (distance) C4'-P energy: -62.239 bonds (distance) P-C4' energy: -94.754 flat angles C4'-P-C4' energy: -98.956 flat angles P-C4'-P energy: -58.005 tors. eta vs tors. theta energy: 13.035 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: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -394.935461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.935461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.935461 (E_RNA) where: Base-Base interactions energy: -116.684 where: short stacking energy: -92.153 Base-Backbone interact. energy: 1.261 local terms energy: -279.512083 where: bonds (distance) C4'-P energy: -104.938 bonds (distance) P-C4' energy: -92.409 flat angles C4'-P-C4' energy: -75.400 flat angles P-C4'-P energy: -40.507 tors. eta vs tors. theta energy: 33.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1720.613746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.613746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.613746 (E_RNA) where: Base-Base interactions energy: -1135.204 where: short stacking energy: -522.615 Base-Backbone interact. energy: -2.476 local terms energy: -582.933287 where: bonds (distance) C4'-P energy: -116.893 bonds (distance) P-C4' energy: -112.110 flat angles C4'-P-C4' energy: -121.574 flat angles P-C4'-P energy: -84.299 tors. eta vs tors. theta energy: -148.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1613.990074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.990074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.990074 (E_RNA) where: Base-Base interactions energy: -1059.275 where: short stacking energy: -476.610 Base-Backbone interact. energy: -4.401 local terms energy: -550.314858 where: bonds (distance) C4'-P energy: -120.880 bonds (distance) P-C4' energy: -107.977 flat angles C4'-P-C4' energy: -116.635 flat angles P-C4'-P energy: -76.026 tors. eta vs tors. theta energy: -128.797 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: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1469.419917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.419917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.419917 (E_RNA) where: Base-Base interactions energy: -947.721 where: short stacking energy: -413.889 Base-Backbone interact. energy: -0.351 local terms energy: -521.347885 where: bonds (distance) C4'-P energy: -108.637 bonds (distance) P-C4' energy: -102.470 flat angles C4'-P-C4' energy: -114.709 flat angles P-C4'-P energy: -77.774 tors. eta vs tors. theta energy: -117.759 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: 4, replica: 1 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1281.594387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.594387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.594387 (E_RNA) where: Base-Base interactions energy: -807.324 where: short stacking energy: -374.097 Base-Backbone interact. energy: -1.743 local terms energy: -472.527613 where: bonds (distance) C4'-P energy: -110.105 bonds (distance) P-C4' energy: -99.748 flat angles C4'-P-C4' energy: -112.644 flat angles P-C4'-P energy: -58.761 tors. eta vs tors. theta energy: -91.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1232.041423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.041423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.041423 (E_RNA) where: Base-Base interactions energy: -768.820 where: short stacking energy: -385.195 Base-Backbone interact. energy: -2.317 local terms energy: -460.904286 where: bonds (distance) C4'-P energy: -96.220 bonds (distance) P-C4' energy: -109.113 flat angles C4'-P-C4' energy: -101.927 flat angles P-C4'-P energy: -53.006 tors. eta vs tors. theta energy: -100.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -946.527338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.527338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.527338 (E_RNA) where: Base-Base interactions energy: -557.073 where: short stacking energy: -279.788 Base-Backbone interact. energy: -0.635 local terms energy: -388.818774 where: bonds (distance) C4'-P energy: -87.783 bonds (distance) P-C4' energy: -90.158 flat angles C4'-P-C4' energy: -100.546 flat angles P-C4'-P energy: -56.486 tors. eta vs tors. theta energy: -53.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -680.987505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.987505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.987505 (E_RNA) where: Base-Base interactions energy: -334.700 where: short stacking energy: -205.654 Base-Backbone interact. energy: -1.297 local terms energy: -344.991069 where: bonds (distance) C4'-P energy: -107.844 bonds (distance) P-C4' energy: -88.409 flat angles C4'-P-C4' energy: -61.967 flat angles P-C4'-P energy: -65.178 tors. eta vs tors. theta energy: -21.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -642.946341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.946341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.946341 (E_RNA) where: Base-Base interactions energy: -295.176 where: short stacking energy: -182.349 Base-Backbone interact. energy: 0.429 local terms energy: -348.198659 where: bonds (distance) C4'-P energy: -100.012 bonds (distance) P-C4' energy: -94.381 flat angles C4'-P-C4' energy: -91.168 flat angles P-C4'-P energy: -54.683 tors. eta vs tors. theta energy: -7.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -487.761735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.761735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.761735 (E_RNA) where: Base-Base interactions energy: -213.348 where: short stacking energy: -135.369 Base-Backbone interact. energy: 3.382 local terms energy: -277.795187 where: bonds (distance) C4'-P energy: -95.963 bonds (distance) P-C4' energy: -98.237 flat angles C4'-P-C4' energy: -76.718 flat angles P-C4'-P energy: -35.684 tors. eta vs tors. theta energy: 28.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -416.280653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.280653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.280653 (E_RNA) where: Base-Base interactions energy: -150.585 where: short stacking energy: -112.559 Base-Backbone interact. energy: -2.486 local terms energy: -263.209140 where: bonds (distance) C4'-P energy: -92.279 bonds (distance) P-C4' energy: -93.277 flat angles C4'-P-C4' energy: -72.954 flat angles P-C4'-P energy: -29.336 tors. eta vs tors. theta energy: 24.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1709.672324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.672324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.672324 (E_RNA) where: Base-Base interactions energy: -1146.334 where: short stacking energy: -503.056 Base-Backbone interact. energy: -2.672 local terms energy: -560.666567 where: bonds (distance) C4'-P energy: -105.569 bonds (distance) P-C4' energy: -124.751 flat angles C4'-P-C4' energy: -116.832 flat angles P-C4'-P energy: -75.704 tors. eta vs tors. theta energy: -137.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1650.561399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.561399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.561399 (E_RNA) where: Base-Base interactions energy: -1108.770 where: short stacking energy: -493.246 Base-Backbone interact. energy: -4.638 local terms energy: -537.153400 where: bonds (distance) C4'-P energy: -100.262 bonds (distance) P-C4' energy: -108.854 flat angles C4'-P-C4' energy: -110.910 flat angles P-C4'-P energy: -80.805 tors. eta vs tors. theta energy: -136.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1437.800914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.800914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.800914 (E_RNA) where: Base-Base interactions energy: -910.181 where: short stacking energy: -408.166 Base-Backbone interact. energy: -2.502 local terms energy: -525.117648 where: bonds (distance) C4'-P energy: -107.595 bonds (distance) P-C4' energy: -113.641 flat angles C4'-P-C4' energy: -117.440 flat angles P-C4'-P energy: -68.678 tors. eta vs tors. theta energy: -117.764 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: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1321.761012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.761012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.761012 (E_RNA) where: Base-Base interactions energy: -827.156 where: short stacking energy: -405.973 Base-Backbone interact. energy: -2.757 local terms energy: -491.847867 where: bonds (distance) C4'-P energy: -88.779 bonds (distance) P-C4' energy: -116.804 flat angles C4'-P-C4' energy: -104.685 flat angles P-C4'-P energy: -82.945 tors. eta vs tors. theta energy: -98.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1210.022562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.022562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.022562 (E_RNA) where: Base-Base interactions energy: -754.164 where: short stacking energy: -381.793 Base-Backbone interact. energy: 2.578 local terms energy: -458.436565 where: bonds (distance) C4'-P energy: -87.080 bonds (distance) P-C4' energy: -99.333 flat angles C4'-P-C4' energy: -105.662 flat angles P-C4'-P energy: -62.352 tors. eta vs tors. theta energy: -104.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -997.039763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.039763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.039763 (E_RNA) where: Base-Base interactions energy: -564.738 where: short stacking energy: -254.153 Base-Backbone interact. energy: -3.144 local terms energy: -429.157201 where: bonds (distance) C4'-P energy: -100.370 bonds (distance) P-C4' energy: -110.724 flat angles C4'-P-C4' energy: -109.068 flat angles P-C4'-P energy: -51.721 tors. eta vs tors. theta energy: -57.275 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: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -656.659481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.659481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.659481 (E_RNA) where: Base-Base interactions energy: -295.913 where: short stacking energy: -175.824 Base-Backbone interact. energy: 3.258 local terms energy: -364.004137 where: bonds (distance) C4'-P energy: -93.614 bonds (distance) P-C4' energy: -116.140 flat angles C4'-P-C4' energy: -90.090 flat angles P-C4'-P energy: -57.920 tors. eta vs tors. theta energy: -6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -602.109967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.109967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.109967 (E_RNA) where: Base-Base interactions energy: -284.515 where: short stacking energy: -168.745 Base-Backbone interact. energy: 0.737 local terms energy: -318.331490 where: bonds (distance) C4'-P energy: -85.837 bonds (distance) P-C4' energy: -87.718 flat angles C4'-P-C4' energy: -89.932 flat angles P-C4'-P energy: -65.233 tors. eta vs tors. theta energy: 10.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -475.784123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.784123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.784123 (E_RNA) where: Base-Base interactions energy: -180.536 where: short stacking energy: -128.584 Base-Backbone interact. energy: -0.168 local terms energy: -295.080644 where: bonds (distance) C4'-P energy: -89.146 bonds (distance) P-C4' energy: -96.673 flat angles C4'-P-C4' energy: -75.697 flat angles P-C4'-P energy: -46.092 tors. eta vs tors. theta energy: 12.528 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: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -430.687009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.687009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.687009 (E_RNA) where: Base-Base interactions energy: -120.458 where: short stacking energy: -103.293 Base-Backbone interact. energy: -2.708 local terms energy: -307.521085 where: bonds (distance) C4'-P energy: -74.388 bonds (distance) P-C4' energy: -104.168 flat angles C4'-P-C4' energy: -76.437 flat angles P-C4'-P energy: -59.979 tors. eta vs tors. theta energy: 7.451 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: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1707.325421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.325421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.325421 (E_RNA) where: Base-Base interactions energy: -1154.887 where: short stacking energy: -520.167 Base-Backbone interact. energy: -1.851 local terms energy: -550.587907 where: bonds (distance) C4'-P energy: -104.972 bonds (distance) P-C4' energy: -116.783 flat angles C4'-P-C4' energy: -116.853 flat angles P-C4'-P energy: -69.244 tors. eta vs tors. theta energy: -142.737 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: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1659.122241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.122241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.122241 (E_RNA) where: Base-Base interactions energy: -1102.940 where: short stacking energy: -478.492 Base-Backbone interact. energy: -2.872 local terms energy: -553.310434 where: bonds (distance) C4'-P energy: -99.085 bonds (distance) P-C4' energy: -104.162 flat angles C4'-P-C4' energy: -122.675 flat angles P-C4'-P energy: -86.496 tors. eta vs tors. theta energy: -140.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1465.024031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.024031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.024031 (E_RNA) where: Base-Base interactions energy: -967.731 where: short stacking energy: -405.072 Base-Backbone interact. energy: -2.611 local terms energy: -494.681996 where: bonds (distance) C4'-P energy: -105.648 bonds (distance) P-C4' energy: -98.330 flat angles C4'-P-C4' energy: -109.643 flat angles P-C4'-P energy: -71.323 tors. eta vs tors. theta energy: -109.737 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: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1362.795927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.795927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.795927 (E_RNA) where: Base-Base interactions energy: -877.019 where: short stacking energy: -383.784 Base-Backbone interact. energy: 2.214 local terms energy: -487.990179 where: bonds (distance) C4'-P energy: -103.060 bonds (distance) P-C4' energy: -109.858 flat angles C4'-P-C4' energy: -103.708 flat angles P-C4'-P energy: -63.406 tors. eta vs tors. theta energy: -107.958 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: 5 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1224.586526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.586526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.586526 (E_RNA) where: Base-Base interactions energy: -764.267 where: short stacking energy: -383.042 Base-Backbone interact. energy: -3.047 local terms energy: -457.272404 where: bonds (distance) C4'-P energy: -95.889 bonds (distance) P-C4' energy: -91.719 flat angles C4'-P-C4' energy: -102.171 flat angles P-C4'-P energy: -75.190 tors. eta vs tors. theta energy: -92.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -990.044495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.044495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.044495 (E_RNA) where: Base-Base interactions energy: -602.486 where: short stacking energy: -289.786 Base-Backbone interact. energy: -0.790 local terms energy: -386.769048 where: bonds (distance) C4'-P energy: -92.008 bonds (distance) P-C4' energy: -104.013 flat angles C4'-P-C4' energy: -78.834 flat angles P-C4'-P energy: -59.757 tors. eta vs tors. theta energy: -52.157 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: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -723.297238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.297238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.297238 (E_RNA) where: Base-Base interactions energy: -401.953 where: short stacking energy: -208.419 Base-Backbone interact. energy: 0.800 local terms energy: -322.143950 where: bonds (distance) C4'-P energy: -86.186 bonds (distance) P-C4' energy: -98.704 flat angles C4'-P-C4' energy: -78.160 flat angles P-C4'-P energy: -38.451 tors. eta vs tors. theta energy: -20.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -544.351897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.351897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.351897 (E_RNA) where: Base-Base interactions energy: -229.757 where: short stacking energy: -145.019 Base-Backbone interact. energy: -0.010 local terms energy: -314.584632 where: bonds (distance) C4'-P energy: -80.480 bonds (distance) P-C4' energy: -99.277 flat angles C4'-P-C4' energy: -89.451 flat angles P-C4'-P energy: -50.271 tors. eta vs tors. theta energy: 4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -456.533118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.533118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.533118 (E_RNA) where: Base-Base interactions energy: -156.937 where: short stacking energy: -122.257 Base-Backbone interact. energy: -0.910 local terms energy: -298.686356 where: bonds (distance) C4'-P energy: -86.999 bonds (distance) P-C4' energy: -98.924 flat angles C4'-P-C4' energy: -90.505 flat angles P-C4'-P energy: -39.635 tors. eta vs tors. theta energy: 17.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -439.383786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.383786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.383786 (E_RNA) where: Base-Base interactions energy: -170.456 where: short stacking energy: -132.292 Base-Backbone interact. energy: -1.405 local terms energy: -267.523169 where: bonds (distance) C4'-P energy: -78.440 bonds (distance) P-C4' energy: -79.469 flat angles C4'-P-C4' energy: -88.448 flat angles P-C4'-P energy: -26.887 tors. eta vs tors. theta energy: 5.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1721.014917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.014917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.014917 (E_RNA) where: Base-Base interactions energy: -1145.285 where: short stacking energy: -513.104 Base-Backbone interact. energy: -1.021 local terms energy: -574.708860 where: bonds (distance) C4'-P energy: -106.734 bonds (distance) P-C4' energy: -119.968 flat angles C4'-P-C4' energy: -132.521 flat angles P-C4'-P energy: -78.131 tors. eta vs tors. theta energy: -137.354 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: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1627.102834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.102834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.102834 (E_RNA) where: Base-Base interactions energy: -1099.384 where: short stacking energy: -448.546 Base-Backbone interact. energy: -3.548 local terms energy: -524.170510 where: bonds (distance) C4'-P energy: -103.204 bonds (distance) P-C4' energy: -113.998 flat angles C4'-P-C4' energy: -118.670 flat angles P-C4'-P energy: -62.915 tors. eta vs tors. theta energy: -125.383 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: 3, replica: 3 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1507.497250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.497250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.497250 (E_RNA) where: Base-Base interactions energy: -980.284 where: short stacking energy: -424.753 Base-Backbone interact. energy: -1.309 local terms energy: -525.904655 where: bonds (distance) C4'-P energy: -115.247 bonds (distance) P-C4' energy: -113.142 flat angles C4'-P-C4' energy: -112.290 flat angles P-C4'-P energy: -64.779 tors. eta vs tors. theta energy: -120.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1353.342609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.342609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.342609 (E_RNA) where: Base-Base interactions energy: -838.602 where: short stacking energy: -392.601 Base-Backbone interact. energy: -1.897 local terms energy: -512.843775 where: bonds (distance) C4'-P energy: -118.250 bonds (distance) P-C4' energy: -111.070 flat angles C4'-P-C4' energy: -115.763 flat angles P-C4'-P energy: -62.834 tors. eta vs tors. theta energy: -104.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1268.465238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.465238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.465238 (E_RNA) where: Base-Base interactions energy: -803.397 where: short stacking energy: -393.810 Base-Backbone interact. energy: -0.618 local terms energy: -464.449947 where: bonds (distance) C4'-P energy: -86.305 bonds (distance) P-C4' energy: -109.120 flat angles C4'-P-C4' energy: -101.086 flat angles P-C4'-P energy: -63.535 tors. eta vs tors. theta energy: -104.403 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: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1000.412935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.412935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.412935 (E_RNA) where: Base-Base interactions energy: -572.623 where: short stacking energy: -312.431 Base-Backbone interact. energy: -3.907 local terms energy: -423.883057 where: bonds (distance) C4'-P energy: -73.418 bonds (distance) P-C4' energy: -107.131 flat angles C4'-P-C4' energy: -106.292 flat angles P-C4'-P energy: -58.079 tors. eta vs tors. theta energy: -78.963 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: 10 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -664.433900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.433900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.433900 (E_RNA) where: Base-Base interactions energy: -294.038 where: short stacking energy: -194.696 Base-Backbone interact. energy: 2.623 local terms energy: -373.019447 where: bonds (distance) C4'-P energy: -90.971 bonds (distance) P-C4' energy: -92.196 flat angles C4'-P-C4' energy: -93.821 flat angles P-C4'-P energy: -69.166 tors. eta vs tors. theta energy: -26.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -499.194913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.194913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.194913 (E_RNA) where: Base-Base interactions energy: -213.058 where: short stacking energy: -165.099 Base-Backbone interact. energy: 4.213 local terms energy: -290.349631 where: bonds (distance) C4'-P energy: -88.243 bonds (distance) P-C4' energy: -91.047 flat angles C4'-P-C4' energy: -82.240 flat angles P-C4'-P energy: -38.174 tors. eta vs tors. theta energy: 9.355 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: 4 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -492.074626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.074626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.074626 (E_RNA) where: Base-Base interactions energy: -193.187 where: short stacking energy: -157.316 Base-Backbone interact. energy: 3.126 local terms energy: -302.014206 where: bonds (distance) C4'-P energy: -98.536 bonds (distance) P-C4' energy: -96.298 flat angles C4'-P-C4' energy: -75.597 flat angles P-C4'-P energy: -38.050 tors. eta vs tors. theta energy: 6.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -434.241307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.241307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.241307 (E_RNA) where: Base-Base interactions energy: -170.505 where: short stacking energy: -139.672 Base-Backbone interact. energy: -2.031 local terms energy: -261.705245 where: bonds (distance) C4'-P energy: -85.331 bonds (distance) P-C4' energy: -107.832 flat angles C4'-P-C4' energy: -51.279 flat angles P-C4'-P energy: -35.421 tors. eta vs tors. theta energy: 18.158 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: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1733.788481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.788481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.788481 (E_RNA) where: Base-Base interactions energy: -1168.398 where: short stacking energy: -523.043 Base-Backbone interact. energy: -1.166 local terms energy: -564.224726 where: bonds (distance) C4'-P energy: -95.826 bonds (distance) P-C4' energy: -106.441 flat angles C4'-P-C4' energy: -127.418 flat angles P-C4'-P energy: -88.544 tors. eta vs tors. theta energy: -145.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1659.661428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.661428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.661428 (E_RNA) where: Base-Base interactions energy: -1139.283 where: short stacking energy: -467.484 Base-Backbone interact. energy: -1.703 local terms energy: -518.675133 where: bonds (distance) C4'-P energy: -103.238 bonds (distance) P-C4' energy: -105.339 flat angles C4'-P-C4' energy: -119.332 flat angles P-C4'-P energy: -68.206 tors. eta vs tors. theta energy: -122.560 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: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1541.596299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.596299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.596299 (E_RNA) where: Base-Base interactions energy: -1043.994 where: short stacking energy: -440.869 Base-Backbone interact. energy: -2.061 local terms energy: -495.540465 where: bonds (distance) C4'-P energy: -90.339 bonds (distance) P-C4' energy: -113.840 flat angles C4'-P-C4' energy: -111.501 flat angles P-C4'-P energy: -64.292 tors. eta vs tors. theta energy: -115.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1340.071697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.071697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.071697 (E_RNA) where: Base-Base interactions energy: -847.369 where: short stacking energy: -401.613 Base-Backbone interact. energy: -2.635 local terms energy: -490.068011 where: bonds (distance) C4'-P energy: -93.342 bonds (distance) P-C4' energy: -109.858 flat angles C4'-P-C4' energy: -111.242 flat angles P-C4'-P energy: -74.007 tors. eta vs tors. theta energy: -101.619 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: 5 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1216.713662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.713662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.713662 (E_RNA) where: Base-Base interactions energy: -760.821 where: short stacking energy: -345.881 Base-Backbone interact. energy: 5.785 local terms energy: -461.677241 where: bonds (distance) C4'-P energy: -107.730 bonds (distance) P-C4' energy: -99.070 flat angles C4'-P-C4' energy: -91.856 flat angles P-C4'-P energy: -73.824 tors. eta vs tors. theta energy: -89.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -991.163100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.163100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.163100 (E_RNA) where: Base-Base interactions energy: -581.114 where: short stacking energy: -295.370 Base-Backbone interact. energy: 2.636 local terms energy: -412.684963 where: bonds (distance) C4'-P energy: -85.040 bonds (distance) P-C4' energy: -115.559 flat angles C4'-P-C4' energy: -97.128 flat angles P-C4'-P energy: -50.815 tors. eta vs tors. theta energy: -64.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -674.728070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.728070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.728070 (E_RNA) where: Base-Base interactions energy: -337.325 where: short stacking energy: -215.942 Base-Backbone interact. energy: 2.866 local terms energy: -340.269500 where: bonds (distance) C4'-P energy: -79.481 bonds (distance) P-C4' energy: -99.044 flat angles C4'-P-C4' energy: -79.835 flat angles P-C4'-P energy: -64.279 tors. eta vs tors. theta energy: -17.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -540.354615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.354615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.354615 (E_RNA) where: Base-Base interactions energy: -214.652 where: short stacking energy: -157.876 Base-Backbone interact. energy: 0.354 local terms energy: -326.056507 where: bonds (distance) C4'-P energy: -92.071 bonds (distance) P-C4' energy: -113.490 flat angles C4'-P-C4' energy: -72.041 flat angles P-C4'-P energy: -54.897 tors. eta vs tors. theta energy: 6.443 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: 4 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -473.524272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.524272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.524272 (E_RNA) where: Base-Base interactions energy: -184.519 where: short stacking energy: -137.245 Base-Backbone interact. energy: -1.585 local terms energy: -287.420090 where: bonds (distance) C4'-P energy: -90.750 bonds (distance) P-C4' energy: -97.680 flat angles C4'-P-C4' energy: -70.075 flat angles P-C4'-P energy: -42.640 tors. eta vs tors. theta energy: 13.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -430.271318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.271318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.271318 (E_RNA) where: Base-Base interactions energy: -183.387 where: short stacking energy: -131.280 Base-Backbone interact. energy: 4.229 local terms energy: -251.113701 where: bonds (distance) C4'-P energy: -97.135 bonds (distance) P-C4' energy: -88.788 flat angles C4'-P-C4' energy: -50.920 flat angles P-C4'-P energy: -42.130 tors. eta vs tors. theta energy: 27.859 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: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1744.242302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.242302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.242302 (E_RNA) where: Base-Base interactions energy: -1154.354 where: short stacking energy: -510.660 Base-Backbone interact. energy: -2.464 local terms energy: -587.424066 where: bonds (distance) C4'-P energy: -114.644 bonds (distance) P-C4' energy: -114.618 flat angles C4'-P-C4' energy: -122.892 flat angles P-C4'-P energy: -78.448 tors. eta vs tors. theta energy: -156.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1648.481810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.481810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.481810 (E_RNA) where: Base-Base interactions energy: -1123.705 where: short stacking energy: -457.347 Base-Backbone interact. energy: 0.728 local terms energy: -525.504224 where: bonds (distance) C4'-P energy: -115.567 bonds (distance) P-C4' energy: -108.067 flat angles C4'-P-C4' energy: -106.888 flat angles P-C4'-P energy: -72.245 tors. eta vs tors. theta energy: -122.736 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: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1517.083521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.083521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.083521 (E_RNA) where: Base-Base interactions energy: -1013.240 where: short stacking energy: -409.069 Base-Backbone interact. energy: -2.532 local terms energy: -501.311422 where: bonds (distance) C4'-P energy: -96.556 bonds (distance) P-C4' energy: -104.390 flat angles C4'-P-C4' energy: -126.176 flat angles P-C4'-P energy: -61.366 tors. eta vs tors. theta energy: -112.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1337.222824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.222824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.222824 (E_RNA) where: Base-Base interactions energy: -863.768 where: short stacking energy: -412.146 Base-Backbone interact. energy: -1.837 local terms energy: -471.618656 where: bonds (distance) C4'-P energy: -98.240 bonds (distance) P-C4' energy: -104.194 flat angles C4'-P-C4' energy: -107.417 flat angles P-C4'-P energy: -53.587 tors. eta vs tors. theta energy: -108.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1174.876277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.876277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.876277 (E_RNA) where: Base-Base interactions energy: -711.772 where: short stacking energy: -306.515 Base-Backbone interact. energy: -2.372 local terms energy: -460.732088 where: bonds (distance) C4'-P energy: -100.646 bonds (distance) P-C4' energy: -87.860 flat angles C4'-P-C4' energy: -105.317 flat angles P-C4'-P energy: -81.449 tors. eta vs tors. theta energy: -85.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -943.977094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.977094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.977094 (E_RNA) where: Base-Base interactions energy: -544.719 where: short stacking energy: -261.290 Base-Backbone interact. energy: -2.115 local terms energy: -397.143144 where: bonds (distance) C4'-P energy: -93.174 bonds (distance) P-C4' energy: -96.401 flat angles C4'-P-C4' energy: -94.447 flat angles P-C4'-P energy: -65.695 tors. eta vs tors. theta energy: -47.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -710.874345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.874345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.874345 (E_RNA) where: Base-Base interactions energy: -358.778 where: short stacking energy: -222.207 Base-Backbone interact. energy: 5.548 local terms energy: -357.645023 where: bonds (distance) C4'-P energy: -75.113 bonds (distance) P-C4' energy: -94.789 flat angles C4'-P-C4' energy: -98.837 flat angles P-C4'-P energy: -68.784 tors. eta vs tors. theta energy: -20.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -504.721119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.721119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.721119 (E_RNA) where: Base-Base interactions energy: -190.024 where: short stacking energy: -146.048 Base-Backbone interact. energy: -1.343 local terms energy: -313.354374 where: bonds (distance) C4'-P energy: -90.614 bonds (distance) P-C4' energy: -99.301 flat angles C4'-P-C4' energy: -81.084 flat angles P-C4'-P energy: -47.057 tors. eta vs tors. theta energy: 4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -479.284606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.284606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.284606 (E_RNA) where: Base-Base interactions energy: -235.309 where: short stacking energy: -145.776 Base-Backbone interact. energy: 0.716 local terms energy: -244.691865 where: bonds (distance) C4'-P energy: -68.157 bonds (distance) P-C4' energy: -84.007 flat angles C4'-P-C4' energy: -50.112 flat angles P-C4'-P energy: -48.288 tors. eta vs tors. theta energy: 5.872 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: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -404.751379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.751379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.751379 (E_RNA) where: Base-Base interactions energy: -121.846 where: short stacking energy: -108.081 Base-Backbone interact. energy: -1.891 local terms energy: -281.014568 where: bonds (distance) C4'-P energy: -97.786 bonds (distance) P-C4' energy: -88.153 flat angles C4'-P-C4' energy: -76.965 flat angles P-C4'-P energy: -44.370 tors. eta vs tors. theta energy: 26.259 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: 1, replica: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1767.463899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.463899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.463899 (E_RNA) where: Base-Base interactions energy: -1187.118 where: short stacking energy: -534.994 Base-Backbone interact. energy: -0.647 local terms energy: -579.698815 where: bonds (distance) C4'-P energy: -113.539 bonds (distance) P-C4' energy: -113.437 flat angles C4'-P-C4' energy: -116.624 flat angles P-C4'-P energy: -82.654 tors. eta vs tors. theta energy: -153.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1660.668638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.668638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.668638 (E_RNA) where: Base-Base interactions energy: -1114.195 where: short stacking energy: -486.859 Base-Backbone interact. energy: 1.166 local terms energy: -547.638957 where: bonds (distance) C4'-P energy: -102.422 bonds (distance) P-C4' energy: -114.258 flat angles C4'-P-C4' energy: -124.855 flat angles P-C4'-P energy: -75.827 tors. eta vs tors. theta energy: -130.277 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: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1546.433784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.433784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.433784 (E_RNA) where: Base-Base interactions energy: -985.037 where: short stacking energy: -446.636 Base-Backbone interact. energy: -4.630 local terms energy: -556.767441 where: bonds (distance) C4'-P energy: -109.848 bonds (distance) P-C4' energy: -122.125 flat angles C4'-P-C4' energy: -114.538 flat angles P-C4'-P energy: -75.757 tors. eta vs tors. theta energy: -134.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1363.627351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.627351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.627351 (E_RNA) where: Base-Base interactions energy: -883.620 where: short stacking energy: -375.522 Base-Backbone interact. energy: 2.926 local terms energy: -482.933975 where: bonds (distance) C4'-P energy: -96.054 bonds (distance) P-C4' energy: -108.154 flat angles C4'-P-C4' energy: -114.853 flat angles P-C4'-P energy: -62.838 tors. eta vs tors. theta energy: -101.036 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: 5, replica: 5 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1219.470572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.470572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.470572 (E_RNA) where: Base-Base interactions energy: -749.916 where: short stacking energy: -341.987 Base-Backbone interact. energy: -2.244 local terms energy: -467.310735 where: bonds (distance) C4'-P energy: -109.910 bonds (distance) P-C4' energy: -98.743 flat angles C4'-P-C4' energy: -105.243 flat angles P-C4'-P energy: -67.649 tors. eta vs tors. theta energy: -85.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -937.119558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.119558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.119558 (E_RNA) where: Base-Base interactions energy: -523.705 where: short stacking energy: -269.001 Base-Backbone interact. energy: -0.276 local terms energy: -413.138938 where: bonds (distance) C4'-P energy: -95.968 bonds (distance) P-C4' energy: -95.420 flat angles C4'-P-C4' energy: -100.706 flat angles P-C4'-P energy: -66.147 tors. eta vs tors. theta energy: -54.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -693.063958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.063958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.063958 (E_RNA) where: Base-Base interactions energy: -319.895 where: short stacking energy: -198.362 Base-Backbone interact. energy: -0.441 local terms energy: -372.728401 where: bonds (distance) C4'-P energy: -92.442 bonds (distance) P-C4' energy: -99.318 flat angles C4'-P-C4' energy: -88.772 flat angles P-C4'-P energy: -56.276 tors. eta vs tors. theta energy: -35.921 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: 8 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -469.539311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.539311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.539311 (E_RNA) where: Base-Base interactions energy: -174.593 where: short stacking energy: -148.889 Base-Backbone interact. energy: 4.606 local terms energy: -299.551832 where: bonds (distance) C4'-P energy: -89.599 bonds (distance) P-C4' energy: -104.133 flat angles C4'-P-C4' energy: -81.752 flat angles P-C4'-P energy: -48.905 tors. eta vs tors. theta energy: 24.837 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: 9, replica: 4 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -445.348021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.348021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.348021 (E_RNA) where: Base-Base interactions energy: -133.970 where: short stacking energy: -90.634 Base-Backbone interact. energy: -3.014 local terms energy: -308.363881 where: bonds (distance) C4'-P energy: -98.920 bonds (distance) P-C4' energy: -97.285 flat angles C4'-P-C4' energy: -97.136 flat angles P-C4'-P energy: -41.409 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: 10, replica: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -408.396030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.396030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.396030 (E_RNA) where: Base-Base interactions energy: -115.399 where: short stacking energy: -101.360 Base-Backbone interact. energy: 1.192 local terms energy: -294.189346 where: bonds (distance) C4'-P energy: -87.886 bonds (distance) P-C4' energy: -102.864 flat angles C4'-P-C4' energy: -85.296 flat angles P-C4'-P energy: -46.224 tors. eta vs tors. theta energy: 28.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1764.070630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.070630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.070630 (E_RNA) where: Base-Base interactions energy: -1173.417 where: short stacking energy: -500.809 Base-Backbone interact. energy: 2.565 local terms energy: -593.219499 where: bonds (distance) C4'-P energy: -118.706 bonds (distance) P-C4' energy: -110.842 flat angles C4'-P-C4' energy: -124.115 flat angles P-C4'-P energy: -76.251 tors. eta vs tors. theta energy: -163.305 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: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1623.447429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.447429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.447429 (E_RNA) where: Base-Base interactions energy: -1091.596 where: short stacking energy: -459.442 Base-Backbone interact. energy: -2.953 local terms energy: -528.898847 where: bonds (distance) C4'-P energy: -107.678 bonds (distance) P-C4' energy: -107.123 flat angles C4'-P-C4' energy: -112.487 flat angles P-C4'-P energy: -83.640 tors. eta vs tors. theta energy: -117.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1510.882697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.882697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.882697 (E_RNA) where: Base-Base interactions energy: -986.216 where: short stacking energy: -440.293 Base-Backbone interact. energy: -3.017 local terms energy: -521.649477 where: bonds (distance) C4'-P energy: -110.134 bonds (distance) P-C4' energy: -106.508 flat angles C4'-P-C4' energy: -117.237 flat angles P-C4'-P energy: -66.484 tors. eta vs tors. theta energy: -121.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1389.359324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.359324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.359324 (E_RNA) where: Base-Base interactions energy: -884.850 where: short stacking energy: -425.568 Base-Backbone interact. energy: -3.869 local terms energy: -500.640419 where: bonds (distance) C4'-P energy: -89.889 bonds (distance) P-C4' energy: -95.846 flat angles C4'-P-C4' energy: -115.853 flat angles P-C4'-P energy: -71.889 tors. eta vs tors. theta energy: -127.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1259.872852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.872852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.872852 (E_RNA) where: Base-Base interactions energy: -807.133 where: short stacking energy: -376.540 Base-Backbone interact. energy: -2.080 local terms energy: -450.659827 where: bonds (distance) C4'-P energy: -94.704 bonds (distance) P-C4' energy: -111.008 flat angles C4'-P-C4' energy: -110.551 flat angles P-C4'-P energy: -44.513 tors. eta vs tors. theta energy: -89.884 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: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -931.479809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.479809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.479809 (E_RNA) where: Base-Base interactions energy: -539.521 where: short stacking energy: -270.374 Base-Backbone interact. energy: -3.618 local terms energy: -388.341029 where: bonds (distance) C4'-P energy: -101.549 bonds (distance) P-C4' energy: -83.263 flat angles C4'-P-C4' energy: -100.820 flat angles P-C4'-P energy: -62.464 tors. eta vs tors. theta energy: -40.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -674.522788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.522788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.522788 (E_RNA) where: Base-Base interactions energy: -319.940 where: short stacking energy: -185.948 Base-Backbone interact. energy: -0.458 local terms energy: -354.125402 where: bonds (distance) C4'-P energy: -94.842 bonds (distance) P-C4' energy: -104.763 flat angles C4'-P-C4' energy: -83.835 flat angles P-C4'-P energy: -50.472 tors. eta vs tors. theta energy: -20.214 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: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -486.654996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.654996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.654996 (E_RNA) where: Base-Base interactions energy: -172.634 where: short stacking energy: -122.158 Base-Backbone interact. energy: 4.958 local terms energy: -318.978526 where: bonds (distance) C4'-P energy: -95.757 bonds (distance) P-C4' energy: -101.808 flat angles C4'-P-C4' energy: -70.592 flat angles P-C4'-P energy: -52.139 tors. eta vs tors. theta energy: 1.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -453.206036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.206036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.206036 (E_RNA) where: Base-Base interactions energy: -165.512 where: short stacking energy: -108.231 Base-Backbone interact. energy: -2.595 local terms energy: -285.099019 where: bonds (distance) C4'-P energy: -89.770 bonds (distance) P-C4' energy: -95.578 flat angles C4'-P-C4' energy: -99.345 flat angles P-C4'-P energy: -36.164 tors. eta vs tors. theta energy: 35.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -446.565560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.565560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.565560 (E_RNA) where: Base-Base interactions energy: -145.617 where: short stacking energy: -128.445 Base-Backbone interact. energy: 0.724 local terms energy: -301.672773 where: bonds (distance) C4'-P energy: -85.377 bonds (distance) P-C4' energy: -100.454 flat angles C4'-P-C4' energy: -84.648 flat angles P-C4'-P energy: -34.172 tors. eta vs tors. theta energy: 2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1755.399980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.399980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.399980 (E_RNA) where: Base-Base interactions energy: -1138.268 where: short stacking energy: -502.156 Base-Backbone interact. energy: 0.141 local terms energy: -617.272662 where: bonds (distance) C4'-P energy: -117.395 bonds (distance) P-C4' energy: -121.257 flat angles C4'-P-C4' energy: -132.729 flat angles P-C4'-P energy: -88.538 tors. eta vs tors. theta energy: -157.354 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: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1619.191625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.191625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.191625 (E_RNA) where: Base-Base interactions energy: -1052.278 where: short stacking energy: -436.557 Base-Backbone interact. energy: -0.339 local terms energy: -566.574778 where: bonds (distance) C4'-P energy: -110.248 bonds (distance) P-C4' energy: -121.761 flat angles C4'-P-C4' energy: -119.486 flat angles P-C4'-P energy: -77.540 tors. eta vs tors. theta energy: -137.540 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: 3, replica: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1541.058273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.058273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.058273 (E_RNA) where: Base-Base interactions energy: -1016.504 where: short stacking energy: -448.869 Base-Backbone interact. energy: 0.652 local terms energy: -525.206736 where: bonds (distance) C4'-P energy: -114.937 bonds (distance) P-C4' energy: -115.345 flat angles C4'-P-C4' energy: -108.963 flat angles P-C4'-P energy: -56.425 tors. eta vs tors. theta energy: -129.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1394.210773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.210773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.210773 (E_RNA) where: Base-Base interactions energy: -904.014 where: short stacking energy: -406.631 Base-Backbone interact. energy: -3.827 local terms energy: -486.370041 where: bonds (distance) C4'-P energy: -105.454 bonds (distance) P-C4' energy: -95.930 flat angles C4'-P-C4' energy: -112.003 flat angles P-C4'-P energy: -73.823 tors. eta vs tors. theta energy: -99.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1207.897646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.897646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.897646 (E_RNA) where: Base-Base interactions energy: -773.581 where: short stacking energy: -336.443 Base-Backbone interact. energy: -1.095 local terms energy: -433.221643 where: bonds (distance) C4'-P energy: -89.206 bonds (distance) P-C4' energy: -87.777 flat angles C4'-P-C4' energy: -100.336 flat angles P-C4'-P energy: -72.222 tors. eta vs tors. theta energy: -83.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -888.340607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.340607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.340607 (E_RNA) where: Base-Base interactions energy: -454.680 where: short stacking energy: -273.886 Base-Backbone interact. energy: 2.166 local terms energy: -435.826305 where: bonds (distance) C4'-P energy: -104.513 bonds (distance) P-C4' energy: -106.919 flat angles C4'-P-C4' energy: -105.708 flat angles P-C4'-P energy: -62.788 tors. eta vs tors. theta energy: -55.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -684.268683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.268683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.268683 (E_RNA) where: Base-Base interactions energy: -358.783 where: short stacking energy: -212.380 Base-Backbone interact. energy: -3.374 local terms energy: -322.112261 where: bonds (distance) C4'-P energy: -91.266 bonds (distance) P-C4' energy: -98.984 flat angles C4'-P-C4' energy: -66.901 flat angles P-C4'-P energy: -47.707 tors. eta vs tors. theta energy: -17.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -488.236555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.236555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.236555 (E_RNA) where: Base-Base interactions energy: -195.062 where: short stacking energy: -165.890 Base-Backbone interact. energy: -1.179 local terms energy: -291.995118 where: bonds (distance) C4'-P energy: -92.524 bonds (distance) P-C4' energy: -90.277 flat angles C4'-P-C4' energy: -82.601 flat angles P-C4'-P energy: -33.622 tors. eta vs tors. theta energy: 7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -494.125459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.125459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.125459 (E_RNA) where: Base-Base interactions energy: -181.106 where: short stacking energy: -130.628 Base-Backbone interact. energy: -1.819 local terms energy: -311.200209 where: bonds (distance) C4'-P energy: -95.540 bonds (distance) P-C4' energy: -100.381 flat angles C4'-P-C4' energy: -84.364 flat angles P-C4'-P energy: -39.246 tors. eta vs tors. theta energy: 8.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -421.622737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.622737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.622737 (E_RNA) where: Base-Base interactions energy: -148.729 where: short stacking energy: -105.012 Base-Backbone interact. energy: -0.684 local terms energy: -272.209754 where: bonds (distance) C4'-P energy: -78.260 bonds (distance) P-C4' energy: -111.283 flat angles C4'-P-C4' energy: -58.858 flat angles P-C4'-P energy: -56.251 tors. eta vs tors. theta energy: 32.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1744.193678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.193678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.193678 (E_RNA) where: Base-Base interactions energy: -1164.768 where: short stacking energy: -496.618 Base-Backbone interact. energy: -1.672 local terms energy: -577.753733 where: bonds (distance) C4'-P energy: -102.273 bonds (distance) P-C4' energy: -125.410 flat angles C4'-P-C4' energy: -114.660 flat angles P-C4'-P energy: -80.807 tors. eta vs tors. theta energy: -154.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1596.400531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.400531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.400531 (E_RNA) where: Base-Base interactions energy: -1073.408 where: short stacking energy: -446.464 Base-Backbone interact. energy: -0.661 local terms energy: -522.332070 where: bonds (distance) C4'-P energy: -112.068 bonds (distance) P-C4' energy: -106.592 flat angles C4'-P-C4' energy: -109.295 flat angles P-C4'-P energy: -74.802 tors. eta vs tors. theta energy: -119.575 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: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1514.144013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.144013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.144013 (E_RNA) where: Base-Base interactions energy: -982.163 where: short stacking energy: -436.753 Base-Backbone interact. energy: -4.844 local terms energy: -527.137751 where: bonds (distance) C4'-P energy: -109.248 bonds (distance) P-C4' energy: -99.413 flat angles C4'-P-C4' energy: -122.387 flat angles P-C4'-P energy: -75.818 tors. eta vs tors. theta energy: -120.271 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: 4, replica: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1407.584432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.584432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.584432 (E_RNA) where: Base-Base interactions energy: -911.641 where: short stacking energy: -431.954 Base-Backbone interact. energy: -4.443 local terms energy: -491.500862 where: bonds (distance) C4'-P energy: -95.636 bonds (distance) P-C4' energy: -120.713 flat angles C4'-P-C4' energy: -106.996 flat angles P-C4'-P energy: -59.368 tors. eta vs tors. theta energy: -108.788 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: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1218.059973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.059973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.059973 (E_RNA) where: Base-Base interactions energy: -781.985 where: short stacking energy: -357.387 Base-Backbone interact. energy: 4.260 local terms energy: -440.335305 where: bonds (distance) C4'-P energy: -100.002 bonds (distance) P-C4' energy: -93.652 flat angles C4'-P-C4' energy: -91.068 flat angles P-C4'-P energy: -64.902 tors. eta vs tors. theta energy: -90.711 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: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -896.925384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.925384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.925384 (E_RNA) where: Base-Base interactions energy: -506.505 where: short stacking energy: -263.521 Base-Backbone interact. energy: -0.832 local terms energy: -389.588432 where: bonds (distance) C4'-P energy: -92.227 bonds (distance) P-C4' energy: -94.752 flat angles C4'-P-C4' energy: -103.669 flat angles P-C4'-P energy: -64.119 tors. eta vs tors. theta energy: -34.821 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: 53 Temperature: 1.200000 Total energy: -702.176654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.176654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.176654 (E_RNA) where: Base-Base interactions energy: -349.867 where: short stacking energy: -211.548 Base-Backbone interact. energy: 0.460 local terms energy: -352.769224 where: bonds (distance) C4'-P energy: -80.871 bonds (distance) P-C4' energy: -92.848 flat angles C4'-P-C4' energy: -95.385 flat angles P-C4'-P energy: -51.035 tors. eta vs tors. theta energy: -32.630 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: 53 Temperature: 1.250000 Total energy: -530.290730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.290730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.290730 (E_RNA) where: Base-Base interactions energy: -214.663 where: short stacking energy: -161.375 Base-Backbone interact. energy: -0.719 local terms energy: -314.908688 where: bonds (distance) C4'-P energy: -93.818 bonds (distance) P-C4' energy: -94.113 flat angles C4'-P-C4' energy: -90.960 flat angles P-C4'-P energy: -38.417 tors. eta vs tors. theta energy: 2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -451.461221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.461221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.461221 (E_RNA) where: Base-Base interactions energy: -155.919 where: short stacking energy: -132.457 Base-Backbone interact. energy: -0.948 local terms energy: -294.594433 where: bonds (distance) C4'-P energy: -86.446 bonds (distance) P-C4' energy: -91.457 flat angles C4'-P-C4' energy: -77.936 flat angles P-C4'-P energy: -45.881 tors. eta vs tors. theta energy: 7.125 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: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -433.986719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.986719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.986719 (E_RNA) where: Base-Base interactions energy: -154.430 where: short stacking energy: -101.162 Base-Backbone interact. energy: -1.338 local terms energy: -278.218951 where: bonds (distance) C4'-P energy: -83.746 bonds (distance) P-C4' energy: -96.124 flat angles C4'-P-C4' energy: -77.488 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: 23.219 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: 7 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1780.933177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.933177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.933177 (E_RNA) where: Base-Base interactions energy: -1192.493 where: short stacking energy: -542.519 Base-Backbone interact. energy: 0.476 local terms energy: -588.915342 where: bonds (distance) C4'-P energy: -114.430 bonds (distance) P-C4' energy: -102.111 flat angles C4'-P-C4' energy: -123.851 flat angles P-C4'-P energy: -83.983 tors. eta vs tors. theta energy: -164.541 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: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1596.912094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.912094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.912094 (E_RNA) where: Base-Base interactions energy: -1091.058 where: short stacking energy: -452.513 Base-Backbone interact. energy: 5.770 local terms energy: -511.623850 where: bonds (distance) C4'-P energy: -95.323 bonds (distance) P-C4' energy: -96.192 flat angles C4'-P-C4' energy: -120.637 flat angles P-C4'-P energy: -80.585 tors. eta vs tors. theta energy: -118.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1489.168729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.168729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.168729 (E_RNA) where: Base-Base interactions energy: -950.136 where: short stacking energy: -439.383 Base-Backbone interact. energy: 2.373 local terms energy: -541.405603 where: bonds (distance) C4'-P energy: -120.357 bonds (distance) P-C4' energy: -113.491 flat angles C4'-P-C4' energy: -109.787 flat angles P-C4'-P energy: -82.143 tors. eta vs tors. theta energy: -115.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1349.790864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.790864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.790864 (E_RNA) where: Base-Base interactions energy: -876.891 where: short stacking energy: -413.144 Base-Backbone interact. energy: 2.692 local terms energy: -475.591543 where: bonds (distance) C4'-P energy: -107.968 bonds (distance) P-C4' energy: -98.140 flat angles C4'-P-C4' energy: -112.789 flat angles P-C4'-P energy: -56.948 tors. eta vs tors. theta energy: -99.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1266.062124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.062124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.062124 (E_RNA) where: Base-Base interactions energy: -786.398 where: short stacking energy: -377.521 Base-Backbone interact. energy: -1.046 local terms energy: -478.617778 where: bonds (distance) C4'-P energy: -96.501 bonds (distance) P-C4' energy: -97.391 flat angles C4'-P-C4' energy: -102.732 flat angles P-C4'-P energy: -73.231 tors. eta vs tors. theta energy: -108.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -881.054818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.054818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.054818 (E_RNA) where: Base-Base interactions energy: -519.879 where: short stacking energy: -269.273 Base-Backbone interact. energy: -0.922 local terms energy: -360.253600 where: bonds (distance) C4'-P energy: -89.705 bonds (distance) P-C4' energy: -96.342 flat angles C4'-P-C4' energy: -86.283 flat angles P-C4'-P energy: -45.245 tors. eta vs tors. theta energy: -42.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -708.459511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.459511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.459511 (E_RNA) where: Base-Base interactions energy: -343.735 where: short stacking energy: -193.205 Base-Backbone interact. energy: 1.042 local terms energy: -365.767146 where: bonds (distance) C4'-P energy: -94.411 bonds (distance) P-C4' energy: -96.585 flat angles C4'-P-C4' energy: -98.393 flat angles P-C4'-P energy: -57.474 tors. eta vs tors. theta energy: -18.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -554.077280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.077280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.077280 (E_RNA) where: Base-Base interactions energy: -234.592 where: short stacking energy: -176.045 Base-Backbone interact. energy: -2.157 local terms energy: -317.328853 where: bonds (distance) C4'-P energy: -83.491 bonds (distance) P-C4' energy: -99.164 flat angles C4'-P-C4' energy: -73.358 flat angles P-C4'-P energy: -48.769 tors. eta vs tors. theta energy: -12.546 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: 54 Temperature: 1.300000 Total energy: -457.884451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.884451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.884451 (E_RNA) where: Base-Base interactions energy: -161.102 where: short stacking energy: -153.487 Base-Backbone interact. energy: -1.724 local terms energy: -295.057584 where: bonds (distance) C4'-P energy: -76.525 bonds (distance) P-C4' energy: -82.399 flat angles C4'-P-C4' energy: -85.334 flat angles P-C4'-P energy: -59.042 tors. eta vs tors. theta energy: 8.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -425.635753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.635753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.635753 (E_RNA) where: Base-Base interactions energy: -132.245 where: short stacking energy: -106.200 Base-Backbone interact. energy: 1.826 local terms energy: -295.216691 where: bonds (distance) C4'-P energy: -85.321 bonds (distance) P-C4' energy: -102.285 flat angles C4'-P-C4' energy: -67.543 flat angles P-C4'-P energy: -52.072 tors. eta vs tors. theta energy: 12.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1796.322172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.322172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.322172 (E_RNA) where: Base-Base interactions energy: -1180.389 where: short stacking energy: -526.971 Base-Backbone interact. energy: -3.274 local terms energy: -612.658914 where: bonds (distance) C4'-P energy: -124.615 bonds (distance) P-C4' energy: -116.143 flat angles C4'-P-C4' energy: -129.281 flat angles P-C4'-P energy: -78.294 tors. eta vs tors. theta energy: -164.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1602.179638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.179638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.179638 (E_RNA) where: Base-Base interactions energy: -1065.058 where: short stacking energy: -438.377 Base-Backbone interact. energy: -7.365 local terms energy: -529.756794 where: bonds (distance) C4'-P energy: -102.468 bonds (distance) P-C4' energy: -110.861 flat angles C4'-P-C4' energy: -124.000 flat angles P-C4'-P energy: -70.935 tors. eta vs tors. theta energy: -121.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1451.048988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.048988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.048988 (E_RNA) where: Base-Base interactions energy: -964.220 where: short stacking energy: -412.590 Base-Backbone interact. energy: -2.748 local terms energy: -484.081016 where: bonds (distance) C4'-P energy: -90.723 bonds (distance) P-C4' energy: -109.862 flat angles C4'-P-C4' energy: -100.632 flat angles P-C4'-P energy: -70.505 tors. eta vs tors. theta energy: -112.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1343.589041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.589041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.589041 (E_RNA) where: Base-Base interactions energy: -867.310 where: short stacking energy: -383.414 Base-Backbone interact. energy: -1.432 local terms energy: -474.847092 where: bonds (distance) C4'-P energy: -96.194 bonds (distance) P-C4' energy: -93.792 flat angles C4'-P-C4' energy: -109.766 flat angles P-C4'-P energy: -70.415 tors. eta vs tors. theta energy: -104.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1265.076142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.076142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.076142 (E_RNA) where: Base-Base interactions energy: -792.939 where: short stacking energy: -368.624 Base-Backbone interact. energy: -3.633 local terms energy: -468.504499 where: bonds (distance) C4'-P energy: -102.519 bonds (distance) P-C4' energy: -97.595 flat angles C4'-P-C4' energy: -93.828 flat angles P-C4'-P energy: -73.510 tors. eta vs tors. theta energy: -101.053 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: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -900.340316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.340316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.340316 (E_RNA) where: Base-Base interactions energy: -523.004 where: short stacking energy: -273.188 Base-Backbone interact. energy: -0.935 local terms energy: -376.401286 where: bonds (distance) C4'-P energy: -100.381 bonds (distance) P-C4' energy: -91.407 flat angles C4'-P-C4' energy: -100.222 flat angles P-C4'-P energy: -56.801 tors. eta vs tors. theta energy: -27.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -681.755458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.755458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.755458 (E_RNA) where: Base-Base interactions energy: -335.495 where: short stacking energy: -220.574 Base-Backbone interact. energy: -1.123 local terms energy: -345.137243 where: bonds (distance) C4'-P energy: -80.498 bonds (distance) P-C4' energy: -101.715 flat angles C4'-P-C4' energy: -71.879 flat angles P-C4'-P energy: -66.604 tors. eta vs tors. theta energy: -24.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -549.074962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.074962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.074962 (E_RNA) where: Base-Base interactions energy: -224.133 where: short stacking energy: -156.626 Base-Backbone interact. energy: -1.889 local terms energy: -323.053302 where: bonds (distance) C4'-P energy: -85.178 bonds (distance) P-C4' energy: -101.491 flat angles C4'-P-C4' energy: -77.707 flat angles P-C4'-P energy: -58.881 tors. eta vs tors. theta energy: 0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -491.263980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.263980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.263980 (E_RNA) where: Base-Base interactions energy: -149.804 where: short stacking energy: -120.230 Base-Backbone interact. energy: -0.219 local terms energy: -341.241163 where: bonds (distance) C4'-P energy: -108.009 bonds (distance) P-C4' energy: -92.577 flat angles C4'-P-C4' energy: -80.938 flat angles P-C4'-P energy: -58.312 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -420.899678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.899678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.899678 (E_RNA) where: Base-Base interactions energy: -170.043 where: short stacking energy: -127.200 Base-Backbone interact. energy: -1.173 local terms energy: -249.683858 where: bonds (distance) C4'-P energy: -79.787 bonds (distance) P-C4' energy: -83.989 flat angles C4'-P-C4' energy: -70.102 flat angles P-C4'-P energy: -33.607 tors. eta vs tors. theta energy: 17.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1803.869169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.869169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.869169 (E_RNA) where: Base-Base interactions energy: -1205.493 where: short stacking energy: -515.220 Base-Backbone interact. energy: -1.345 local terms energy: -597.030975 where: bonds (distance) C4'-P energy: -105.783 bonds (distance) P-C4' energy: -116.818 flat angles C4'-P-C4' energy: -123.754 flat angles P-C4'-P energy: -86.818 tors. eta vs tors. theta energy: -163.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1654.317363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.317363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.317363 (E_RNA) where: Base-Base interactions energy: -1089.918 where: short stacking energy: -477.968 Base-Backbone interact. energy: -0.478 local terms energy: -563.922242 where: bonds (distance) C4'-P energy: -123.041 bonds (distance) P-C4' energy: -112.465 flat angles C4'-P-C4' energy: -116.254 flat angles P-C4'-P energy: -79.334 tors. eta vs tors. theta energy: -132.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1468.707047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.707047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.707047 (E_RNA) where: Base-Base interactions energy: -960.990 where: short stacking energy: -438.789 Base-Backbone interact. energy: -0.260 local terms energy: -507.456934 where: bonds (distance) C4'-P energy: -105.818 bonds (distance) P-C4' energy: -96.790 flat angles C4'-P-C4' energy: -115.004 flat angles P-C4'-P energy: -70.851 tors. eta vs tors. theta energy: -118.994 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: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1430.337506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.337506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.337506 (E_RNA) where: Base-Base interactions energy: -908.106 where: short stacking energy: -421.916 Base-Backbone interact. energy: -0.161 local terms energy: -522.069908 where: bonds (distance) C4'-P energy: -106.589 bonds (distance) P-C4' energy: -115.162 flat angles C4'-P-C4' energy: -103.691 flat angles P-C4'-P energy: -74.654 tors. eta vs tors. theta energy: -121.974 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: 5, replica: 5 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1213.539288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.539288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.539288 (E_RNA) where: Base-Base interactions energy: -764.619 where: short stacking energy: -353.701 Base-Backbone interact. energy: 0.310 local terms energy: -449.230319 where: bonds (distance) C4'-P energy: -97.199 bonds (distance) P-C4' energy: -107.286 flat angles C4'-P-C4' energy: -98.108 flat angles P-C4'-P energy: -55.561 tors. eta vs tors. theta energy: -91.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -954.958184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.958184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.958184 (E_RNA) where: Base-Base interactions energy: -580.998 where: short stacking energy: -274.473 Base-Backbone interact. energy: -3.093 local terms energy: -370.867537 where: bonds (distance) C4'-P energy: -85.865 bonds (distance) P-C4' energy: -98.440 flat angles C4'-P-C4' energy: -92.865 flat angles P-C4'-P energy: -59.780 tors. eta vs tors. theta energy: -33.919 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: 56 Temperature: 1.200000 Total energy: -696.389534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.389534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.389534 (E_RNA) where: Base-Base interactions energy: -325.087 where: short stacking energy: -196.049 Base-Backbone interact. energy: -2.121 local terms energy: -369.180651 where: bonds (distance) C4'-P energy: -91.483 bonds (distance) P-C4' energy: -108.545 flat angles C4'-P-C4' energy: -83.623 flat angles P-C4'-P energy: -61.129 tors. eta vs tors. theta energy: -24.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -527.599125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.599125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.599125 (E_RNA) where: Base-Base interactions energy: -228.520 where: short stacking energy: -167.738 Base-Backbone interact. energy: -1.952 local terms energy: -297.127017 where: bonds (distance) C4'-P energy: -88.624 bonds (distance) P-C4' energy: -99.772 flat angles C4'-P-C4' energy: -75.198 flat angles P-C4'-P energy: -39.642 tors. eta vs tors. theta energy: 6.109 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: 8 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -482.884086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.884086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.884086 (E_RNA) where: Base-Base interactions energy: -197.295 where: short stacking energy: -152.777 Base-Backbone interact. energy: 1.607 local terms energy: -287.196677 where: bonds (distance) C4'-P energy: -75.854 bonds (distance) P-C4' energy: -99.786 flat angles C4'-P-C4' energy: -90.093 flat angles P-C4'-P energy: -43.872 tors. eta vs tors. theta energy: 22.409 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: 10, replica: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -403.512294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.512294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.512294 (E_RNA) where: Base-Base interactions energy: -136.788 where: short stacking energy: -117.710 Base-Backbone interact. energy: -1.017 local terms energy: -265.707271 where: bonds (distance) C4'-P energy: -96.252 bonds (distance) P-C4' energy: -86.392 flat angles C4'-P-C4' energy: -64.223 flat angles P-C4'-P energy: -51.268 tors. eta vs tors. theta energy: 32.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1791.856065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.856065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.856065 (E_RNA) where: Base-Base interactions energy: -1211.575 where: short stacking energy: -518.841 Base-Backbone interact. energy: -2.617 local terms energy: -577.664145 where: bonds (distance) C4'-P energy: -102.102 bonds (distance) P-C4' energy: -105.284 flat angles C4'-P-C4' energy: -123.661 flat angles P-C4'-P energy: -80.418 tors. eta vs tors. theta energy: -166.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1642.796123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.796123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.796123 (E_RNA) where: Base-Base interactions energy: -1119.591 where: short stacking energy: -458.457 Base-Backbone interact. energy: -0.880 local terms energy: -522.324657 where: bonds (distance) C4'-P energy: -102.315 bonds (distance) P-C4' energy: -104.830 flat angles C4'-P-C4' energy: -114.649 flat angles P-C4'-P energy: -72.682 tors. eta vs tors. theta energy: -127.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1459.313844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.313844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.313844 (E_RNA) where: Base-Base interactions energy: -961.741 where: short stacking energy: -441.440 Base-Backbone interact. energy: -1.353 local terms energy: -496.219892 where: bonds (distance) C4'-P energy: -105.503 bonds (distance) P-C4' energy: -104.791 flat angles C4'-P-C4' energy: -116.698 flat angles P-C4'-P energy: -60.149 tors. eta vs tors. theta energy: -109.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1380.308580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.308580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.308580 (E_RNA) where: Base-Base interactions energy: -887.979 where: short stacking energy: -391.154 Base-Backbone interact. energy: -3.019 local terms energy: -489.310530 where: bonds (distance) C4'-P energy: -99.455 bonds (distance) P-C4' energy: -94.346 flat angles C4'-P-C4' energy: -103.778 flat angles P-C4'-P energy: -80.497 tors. eta vs tors. theta energy: -111.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1259.518712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.518712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.518712 (E_RNA) where: Base-Base interactions energy: -774.550 where: short stacking energy: -355.024 Base-Backbone interact. energy: 1.555 local terms energy: -486.523936 where: bonds (distance) C4'-P energy: -114.825 bonds (distance) P-C4' energy: -105.959 flat angles C4'-P-C4' energy: -117.596 flat angles P-C4'-P energy: -59.529 tors. eta vs tors. theta energy: -88.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -964.681343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.681343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.681343 (E_RNA) where: Base-Base interactions energy: -551.097 where: short stacking energy: -283.142 Base-Backbone interact. energy: 0.387 local terms energy: -413.972079 where: bonds (distance) C4'-P energy: -94.327 bonds (distance) P-C4' energy: -102.016 flat angles C4'-P-C4' energy: -101.357 flat angles P-C4'-P energy: -65.471 tors. eta vs tors. theta energy: -50.801 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: 7, replica: 10 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -670.005209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.005209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.005209 (E_RNA) where: Base-Base interactions energy: -337.583 where: short stacking energy: -212.099 Base-Backbone interact. energy: 0.410 local terms energy: -332.831804 where: bonds (distance) C4'-P energy: -80.926 bonds (distance) P-C4' energy: -108.042 flat angles C4'-P-C4' energy: -78.645 flat angles P-C4'-P energy: -51.393 tors. eta vs tors. theta energy: -13.826 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: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -576.885583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.885583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.885583 (E_RNA) where: Base-Base interactions energy: -235.780 where: short stacking energy: -156.874 Base-Backbone interact. energy: -2.705 local terms energy: -338.399986 where: bonds (distance) C4'-P energy: -106.570 bonds (distance) P-C4' energy: -98.229 flat angles C4'-P-C4' energy: -77.734 flat angles P-C4'-P energy: -47.283 tors. eta vs tors. theta energy: -8.585 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: 8 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -482.525871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.525871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.525871 (E_RNA) where: Base-Base interactions energy: -170.878 where: short stacking energy: -124.271 Base-Backbone interact. energy: -0.808 local terms energy: -310.839384 where: bonds (distance) C4'-P energy: -81.804 bonds (distance) P-C4' energy: -91.376 flat angles C4'-P-C4' energy: -91.259 flat angles P-C4'-P energy: -40.595 tors. eta vs tors. theta energy: -5.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -451.869045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.869045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.869045 (E_RNA) where: Base-Base interactions energy: -157.172 where: short stacking energy: -123.415 Base-Backbone interact. energy: 2.679 local terms energy: -297.376222 where: bonds (distance) C4'-P energy: -88.319 bonds (distance) P-C4' energy: -103.266 flat angles C4'-P-C4' energy: -75.097 flat angles P-C4'-P energy: -44.487 tors. eta vs tors. theta energy: 13.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1806.817690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.817690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.817690 (E_RNA) where: Base-Base interactions energy: -1195.848 where: short stacking energy: -558.717 Base-Backbone interact. energy: -0.436 local terms energy: -610.534149 where: bonds (distance) C4'-P energy: -119.301 bonds (distance) P-C4' energy: -111.463 flat angles C4'-P-C4' energy: -127.337 flat angles P-C4'-P energy: -81.787 tors. eta vs tors. theta energy: -170.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1672.070457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.070457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.070457 (E_RNA) where: Base-Base interactions energy: -1129.614 where: short stacking energy: -499.155 Base-Backbone interact. energy: -7.574 local terms energy: -534.881812 where: bonds (distance) C4'-P energy: -94.479 bonds (distance) P-C4' energy: -114.116 flat angles C4'-P-C4' energy: -117.554 flat angles P-C4'-P energy: -82.090 tors. eta vs tors. theta energy: -126.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1475.357337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.357337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.357337 (E_RNA) where: Base-Base interactions energy: -986.135 where: short stacking energy: -423.195 Base-Backbone interact. energy: 0.592 local terms energy: -489.814445 where: bonds (distance) C4'-P energy: -108.748 bonds (distance) P-C4' energy: -108.067 flat angles C4'-P-C4' energy: -107.270 flat angles P-C4'-P energy: -56.807 tors. eta vs tors. theta energy: -108.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1418.804223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.804223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.804223 (E_RNA) where: Base-Base interactions energy: -935.943 where: short stacking energy: -428.728 Base-Backbone interact. energy: -2.576 local terms energy: -480.285324 where: bonds (distance) C4'-P energy: -89.892 bonds (distance) P-C4' energy: -96.629 flat angles C4'-P-C4' energy: -105.248 flat angles P-C4'-P energy: -79.540 tors. eta vs tors. theta energy: -108.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1243.378237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.378237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.378237 (E_RNA) where: Base-Base interactions energy: -780.380 where: short stacking energy: -375.017 Base-Backbone interact. energy: -0.395 local terms energy: -462.603237 where: bonds (distance) C4'-P energy: -93.102 bonds (distance) P-C4' energy: -97.355 flat angles C4'-P-C4' energy: -109.644 flat angles P-C4'-P energy: -72.823 tors. eta vs tors. theta energy: -89.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -968.997585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.997585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.997585 (E_RNA) where: Base-Base interactions energy: -538.597 where: short stacking energy: -277.322 Base-Backbone interact. energy: -1.366 local terms energy: -429.034116 where: bonds (distance) C4'-P energy: -87.000 bonds (distance) P-C4' energy: -110.595 flat angles C4'-P-C4' energy: -109.460 flat angles P-C4'-P energy: -59.168 tors. eta vs tors. theta energy: -62.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -657.262067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.262067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.262067 (E_RNA) where: Base-Base interactions energy: -296.810 where: short stacking energy: -206.658 Base-Backbone interact. energy: -1.345 local terms energy: -359.106366 where: bonds (distance) C4'-P energy: -81.149 bonds (distance) P-C4' energy: -103.822 flat angles C4'-P-C4' energy: -109.625 flat angles P-C4'-P energy: -51.879 tors. eta vs tors. theta energy: -12.632 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: 9 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -501.990417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.990417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.990417 (E_RNA) where: Base-Base interactions energy: -173.832 where: short stacking energy: -134.316 Base-Backbone interact. energy: -1.226 local terms energy: -326.932319 where: bonds (distance) C4'-P energy: -92.274 bonds (distance) P-C4' energy: -109.414 flat angles C4'-P-C4' energy: -84.724 flat angles P-C4'-P energy: -47.967 tors. eta vs tors. theta energy: 7.447 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: 58 Temperature: 1.300000 Total energy: -505.939490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.939490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.939490 (E_RNA) where: Base-Base interactions energy: -185.285 where: short stacking energy: -136.119 Base-Backbone interact. energy: -0.362 local terms energy: -320.291891 where: bonds (distance) C4'-P energy: -109.234 bonds (distance) P-C4' energy: -82.013 flat angles C4'-P-C4' energy: -82.027 flat angles P-C4'-P energy: -59.973 tors. eta vs tors. theta energy: 12.955 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: 10, replica: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -501.082361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.082361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.082361 (E_RNA) where: Base-Base interactions energy: -210.400 where: short stacking energy: -160.179 Base-Backbone interact. energy: 0.429 local terms energy: -291.110982 where: bonds (distance) C4'-P energy: -84.837 bonds (distance) P-C4' energy: -89.599 flat angles C4'-P-C4' energy: -72.707 flat angles P-C4'-P energy: -42.676 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1814.349939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.349939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.349939 (E_RNA) where: Base-Base interactions energy: -1211.197 where: short stacking energy: -546.796 Base-Backbone interact. energy: -2.361 local terms energy: -600.792000 where: bonds (distance) C4'-P energy: -103.125 bonds (distance) P-C4' energy: -112.926 flat angles C4'-P-C4' energy: -128.881 flat angles P-C4'-P energy: -94.089 tors. eta vs tors. theta energy: -161.770 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: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1648.746361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.746361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.746361 (E_RNA) where: Base-Base interactions energy: -1075.057 where: short stacking energy: -471.565 Base-Backbone interact. energy: -2.345 local terms energy: -571.344690 where: bonds (distance) C4'-P energy: -124.989 bonds (distance) P-C4' energy: -106.498 flat angles C4'-P-C4' energy: -119.512 flat angles P-C4'-P energy: -84.713 tors. eta vs tors. theta energy: -135.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1482.435784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.435784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.435784 (E_RNA) where: Base-Base interactions energy: -976.249 where: short stacking energy: -427.382 Base-Backbone interact. energy: 5.256 local terms energy: -511.442564 where: bonds (distance) C4'-P energy: -113.504 bonds (distance) P-C4' energy: -114.511 flat angles C4'-P-C4' energy: -115.581 flat angles P-C4'-P energy: -63.702 tors. eta vs tors. theta energy: -104.145 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: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1429.654467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.654467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.654467 (E_RNA) where: Base-Base interactions energy: -941.384 where: short stacking energy: -429.721 Base-Backbone interact. energy: -2.697 local terms energy: -485.573598 where: bonds (distance) C4'-P energy: -97.636 bonds (distance) P-C4' energy: -99.085 flat angles C4'-P-C4' energy: -104.361 flat angles P-C4'-P energy: -82.520 tors. eta vs tors. theta energy: -101.972 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: 5 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1307.553179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.553179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.553179 (E_RNA) where: Base-Base interactions energy: -842.838 where: short stacking energy: -396.910 Base-Backbone interact. energy: -0.256 local terms energy: -464.459376 where: bonds (distance) C4'-P energy: -93.756 bonds (distance) P-C4' energy: -100.953 flat angles C4'-P-C4' energy: -98.080 flat angles P-C4'-P energy: -67.507 tors. eta vs tors. theta energy: -104.162 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: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -979.511058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.511058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.511058 (E_RNA) where: Base-Base interactions energy: -606.172 where: short stacking energy: -288.811 Base-Backbone interact. energy: -1.254 local terms energy: -372.085334 where: bonds (distance) C4'-P energy: -99.585 bonds (distance) P-C4' energy: -86.865 flat angles C4'-P-C4' energy: -76.136 flat angles P-C4'-P energy: -59.092 tors. eta vs tors. theta energy: -50.406 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: 7, replica: 10 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -607.967576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.967576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.967576 (E_RNA) where: Base-Base interactions energy: -257.839 where: short stacking energy: -170.460 Base-Backbone interact. energy: -2.752 local terms energy: -347.376341 where: bonds (distance) C4'-P energy: -93.033 bonds (distance) P-C4' energy: -93.143 flat angles C4'-P-C4' energy: -95.384 flat angles P-C4'-P energy: -55.998 tors. eta vs tors. theta energy: -9.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -580.918531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.918531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.918531 (E_RNA) where: Base-Base interactions energy: -261.405 where: short stacking energy: -145.871 Base-Backbone interact. energy: -2.298 local terms energy: -317.215438 where: bonds (distance) C4'-P energy: -71.633 bonds (distance) P-C4' energy: -92.239 flat angles C4'-P-C4' energy: -84.289 flat angles P-C4'-P energy: -57.513 tors. eta vs tors. theta energy: -11.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -475.162303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.162303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.162303 (E_RNA) where: Base-Base interactions energy: -143.569 where: short stacking energy: -99.472 Base-Backbone interact. energy: -1.104 local terms energy: -330.488435 where: bonds (distance) C4'-P energy: -96.189 bonds (distance) P-C4' energy: -105.734 flat angles C4'-P-C4' energy: -76.029 flat angles P-C4'-P energy: -64.276 tors. eta vs tors. theta energy: 11.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -495.149493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.149493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.149493 (E_RNA) where: Base-Base interactions energy: -237.105 where: short stacking energy: -137.995 Base-Backbone interact. energy: -2.257 local terms energy: -255.787722 where: bonds (distance) C4'-P energy: -87.806 bonds (distance) P-C4' energy: -91.957 flat angles C4'-P-C4' energy: -53.082 flat angles P-C4'-P energy: -38.202 tors. eta vs tors. theta energy: 15.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1792.674637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.674637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.674637 (E_RNA) where: Base-Base interactions energy: -1202.746 where: short stacking energy: -512.775 Base-Backbone interact. energy: -1.389 local terms energy: -588.540571 where: bonds (distance) C4'-P energy: -101.105 bonds (distance) P-C4' energy: -110.186 flat angles C4'-P-C4' energy: -124.371 flat angles P-C4'-P energy: -87.059 tors. eta vs tors. theta energy: -165.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1696.038239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.038239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.038239 (E_RNA) where: Base-Base interactions energy: -1137.544 where: short stacking energy: -494.132 Base-Backbone interact. energy: -5.883 local terms energy: -552.611420 where: bonds (distance) C4'-P energy: -123.770 bonds (distance) P-C4' energy: -97.707 flat angles C4'-P-C4' energy: -120.669 flat angles P-C4'-P energy: -71.011 tors. eta vs tors. theta energy: -139.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1608.925333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.925333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.925333 (E_RNA) where: Base-Base interactions energy: -1069.635 where: short stacking energy: -455.743 Base-Backbone interact. energy: -1.994 local terms energy: -537.295938 where: bonds (distance) C4'-P energy: -105.476 bonds (distance) P-C4' energy: -124.589 flat angles C4'-P-C4' energy: -117.577 flat angles P-C4'-P energy: -73.201 tors. eta vs tors. theta energy: -116.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1443.899240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.899240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.899240 (E_RNA) where: Base-Base interactions energy: -943.806 where: short stacking energy: -390.262 Base-Backbone interact. energy: 0.547 local terms energy: -500.639563 where: bonds (distance) C4'-P energy: -103.579 bonds (distance) P-C4' energy: -109.683 flat angles C4'-P-C4' energy: -113.560 flat angles P-C4'-P energy: -66.139 tors. eta vs tors. theta energy: -107.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1264.833007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.833007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.833007 (E_RNA) where: Base-Base interactions energy: -805.256 where: short stacking energy: -385.943 Base-Backbone interact. energy: 1.463 local terms energy: -461.039279 where: bonds (distance) C4'-P energy: -90.789 bonds (distance) P-C4' energy: -96.726 flat angles C4'-P-C4' energy: -106.234 flat angles P-C4'-P energy: -70.176 tors. eta vs tors. theta energy: -97.115 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: 60 Temperature: 1.150000 Total energy: -1073.946366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.946366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.946366 (E_RNA) where: Base-Base interactions energy: -681.815 where: short stacking energy: -296.798 Base-Backbone interact. energy: -0.841 local terms energy: -391.291058 where: bonds (distance) C4'-P energy: -82.486 bonds (distance) P-C4' energy: -104.900 flat angles C4'-P-C4' energy: -105.011 flat angles P-C4'-P energy: -44.694 tors. eta vs tors. theta energy: -54.200 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: 10 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -672.363137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.363137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.363137 (E_RNA) where: Base-Base interactions energy: -325.999 where: short stacking energy: -197.318 Base-Backbone interact. energy: 3.832 local terms energy: -350.196532 where: bonds (distance) C4'-P energy: -89.552 bonds (distance) P-C4' energy: -99.350 flat angles C4'-P-C4' energy: -99.751 flat angles P-C4'-P energy: -44.926 tors. eta vs tors. theta energy: -16.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -544.764876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.764876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.764876 (E_RNA) where: Base-Base interactions energy: -199.665 where: short stacking energy: -128.628 Base-Backbone interact. energy: -3.243 local terms energy: -341.856383 where: bonds (distance) C4'-P energy: -96.256 bonds (distance) P-C4' energy: -103.088 flat angles C4'-P-C4' energy: -93.852 flat angles P-C4'-P energy: -51.406 tors. eta vs tors. theta energy: 2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -524.446441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.446441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.446441 (E_RNA) where: Base-Base interactions energy: -225.830 where: short stacking energy: -152.073 Base-Backbone interact. energy: 2.043 local terms energy: -300.659465 where: bonds (distance) C4'-P energy: -73.743 bonds (distance) P-C4' energy: -103.814 flat angles C4'-P-C4' energy: -62.441 flat angles P-C4'-P energy: -62.362 tors. eta vs tors. theta energy: 1.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -415.040841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.040841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.040841 (E_RNA) where: Base-Base interactions energy: -130.442 where: short stacking energy: -106.135 Base-Backbone interact. energy: -2.394 local terms energy: -282.205437 where: bonds (distance) C4'-P energy: -94.558 bonds (distance) P-C4' energy: -101.166 flat angles C4'-P-C4' energy: -72.313 flat angles P-C4'-P energy: -48.506 tors. eta vs tors. theta energy: 34.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1767.103654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.103654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.103654 (E_RNA) where: Base-Base interactions energy: -1219.659 where: short stacking energy: -519.612 Base-Backbone interact. energy: -0.126 local terms energy: -547.318207 where: bonds (distance) C4'-P energy: -102.969 bonds (distance) P-C4' energy: -108.801 flat angles C4'-P-C4' energy: -126.428 flat angles P-C4'-P energy: -61.975 tors. eta vs tors. theta energy: -147.145 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: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1679.845018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.845018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.845018 (E_RNA) where: Base-Base interactions energy: -1123.083 where: short stacking energy: -455.141 Base-Backbone interact. energy: -2.649 local terms energy: -554.112889 where: bonds (distance) C4'-P energy: -102.572 bonds (distance) P-C4' energy: -121.376 flat angles C4'-P-C4' energy: -127.120 flat angles P-C4'-P energy: -65.581 tors. eta vs tors. theta energy: -137.464 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: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1523.467371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.467371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.467371 (E_RNA) where: Base-Base interactions energy: -1045.658 where: short stacking energy: -448.865 Base-Backbone interact. energy: 0.978 local terms energy: -478.787900 where: bonds (distance) C4'-P energy: -98.112 bonds (distance) P-C4' energy: -100.757 flat angles C4'-P-C4' energy: -106.218 flat angles P-C4'-P energy: -58.369 tors. eta vs tors. theta energy: -115.333 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: 61 Temperature: 1.050000 Total energy: -1483.293405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.293405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.293405 (E_RNA) where: Base-Base interactions energy: -964.146 where: short stacking energy: -421.296 Base-Backbone interact. energy: 1.383 local terms energy: -520.530920 where: bonds (distance) C4'-P energy: -109.240 bonds (distance) P-C4' energy: -110.473 flat angles C4'-P-C4' energy: -119.153 flat angles P-C4'-P energy: -69.132 tors. eta vs tors. theta energy: -112.533 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: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1270.060313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.060313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.060313 (E_RNA) where: Base-Base interactions energy: -795.550 where: short stacking energy: -377.943 Base-Backbone interact. energy: -1.367 local terms energy: -473.143991 where: bonds (distance) C4'-P energy: -100.759 bonds (distance) P-C4' energy: -104.431 flat angles C4'-P-C4' energy: -105.270 flat angles P-C4'-P energy: -69.981 tors. eta vs tors. theta energy: -92.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1089.215820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.215820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.215820 (E_RNA) where: Base-Base interactions energy: -657.832 where: short stacking energy: -309.985 Base-Backbone interact. energy: 1.487 local terms energy: -432.870909 where: bonds (distance) C4'-P energy: -91.025 bonds (distance) P-C4' energy: -115.929 flat angles C4'-P-C4' energy: -92.587 flat angles P-C4'-P energy: -69.920 tors. eta vs tors. theta energy: -63.410 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: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -654.323896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.323896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.323896 (E_RNA) where: Base-Base interactions energy: -310.616 where: short stacking energy: -200.660 Base-Backbone interact. energy: 2.759 local terms energy: -346.466538 where: bonds (distance) C4'-P energy: -91.502 bonds (distance) P-C4' energy: -89.304 flat angles C4'-P-C4' energy: -85.738 flat angles P-C4'-P energy: -57.714 tors. eta vs tors. theta energy: -22.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -569.708006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.708006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.708006 (E_RNA) where: Base-Base interactions energy: -224.781 where: short stacking energy: -148.325 Base-Backbone interact. energy: 0.496 local terms energy: -345.423384 where: bonds (distance) C4'-P energy: -90.165 bonds (distance) P-C4' energy: -93.343 flat angles C4'-P-C4' energy: -92.198 flat angles P-C4'-P energy: -59.720 tors. eta vs tors. theta energy: -9.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -489.208629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.208629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.208629 (E_RNA) where: Base-Base interactions energy: -179.204 where: short stacking energy: -132.989 Base-Backbone interact. energy: -1.792 local terms energy: -308.212813 where: bonds (distance) C4'-P energy: -77.266 bonds (distance) P-C4' energy: -103.677 flat angles C4'-P-C4' energy: -93.738 flat angles P-C4'-P energy: -48.449 tors. eta vs tors. theta energy: 14.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -452.885134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.885134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.885134 (E_RNA) where: Base-Base interactions energy: -174.102 where: short stacking energy: -143.663 Base-Backbone interact. energy: 0.024 local terms energy: -278.806493 where: bonds (distance) C4'-P energy: -86.905 bonds (distance) P-C4' energy: -86.655 flat angles C4'-P-C4' energy: -73.439 flat angles P-C4'-P energy: -41.451 tors. eta vs tors. theta energy: 9.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1742.068839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.068839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.068839 (E_RNA) where: Base-Base interactions energy: -1164.606 where: short stacking energy: -526.585 Base-Backbone interact. energy: -1.598 local terms energy: -575.865310 where: bonds (distance) C4'-P energy: -109.593 bonds (distance) P-C4' energy: -118.445 flat angles C4'-P-C4' energy: -120.631 flat angles P-C4'-P energy: -80.952 tors. eta vs tors. theta energy: -146.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1679.376830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.376830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.376830 (E_RNA) where: Base-Base interactions energy: -1146.042 where: short stacking energy: -461.831 Base-Backbone interact. energy: 0.277 local terms energy: -533.611854 where: bonds (distance) C4'-P energy: -106.596 bonds (distance) P-C4' energy: -112.807 flat angles C4'-P-C4' energy: -114.442 flat angles P-C4'-P energy: -69.054 tors. eta vs tors. theta energy: -130.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1536.545300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.545300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.545300 (E_RNA) where: Base-Base interactions energy: -1006.136 where: short stacking energy: -435.742 Base-Backbone interact. energy: -3.791 local terms energy: -526.618661 where: bonds (distance) C4'-P energy: -110.923 bonds (distance) P-C4' energy: -109.724 flat angles C4'-P-C4' energy: -115.941 flat angles P-C4'-P energy: -68.275 tors. eta vs tors. theta energy: -121.755 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: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1513.554117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.554117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.554117 (E_RNA) where: Base-Base interactions energy: -1003.661 where: short stacking energy: -425.368 Base-Backbone interact. energy: -2.875 local terms energy: -507.018213 where: bonds (distance) C4'-P energy: -99.709 bonds (distance) P-C4' energy: -112.834 flat angles C4'-P-C4' energy: -119.230 flat angles P-C4'-P energy: -69.419 tors. eta vs tors. theta energy: -105.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1284.370440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.370440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.370440 (E_RNA) where: Base-Base interactions energy: -799.416 where: short stacking energy: -359.593 Base-Backbone interact. energy: 0.407 local terms energy: -485.362197 where: bonds (distance) C4'-P energy: -96.763 bonds (distance) P-C4' energy: -102.599 flat angles C4'-P-C4' energy: -116.649 flat angles P-C4'-P energy: -61.249 tors. eta vs tors. theta energy: -108.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1137.328860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.328860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.328860 (E_RNA) where: Base-Base interactions energy: -711.217 where: short stacking energy: -342.115 Base-Backbone interact. energy: -1.065 local terms energy: -425.047222 where: bonds (distance) C4'-P energy: -90.281 bonds (distance) P-C4' energy: -102.971 flat angles C4'-P-C4' energy: -96.511 flat angles P-C4'-P energy: -65.992 tors. eta vs tors. theta energy: -69.293 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: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -670.024156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.024156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.024156 (E_RNA) where: Base-Base interactions energy: -309.083 where: short stacking energy: -200.222 Base-Backbone interact. energy: -1.138 local terms energy: -359.802690 where: bonds (distance) C4'-P energy: -85.171 bonds (distance) P-C4' energy: -90.369 flat angles C4'-P-C4' energy: -91.096 flat angles P-C4'-P energy: -59.755 tors. eta vs tors. theta energy: -33.412 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: 8, replica: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -589.239522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.239522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.239522 (E_RNA) where: Base-Base interactions energy: -238.907 where: short stacking energy: -153.970 Base-Backbone interact. energy: 1.338 local terms energy: -351.670583 where: bonds (distance) C4'-P energy: -91.306 bonds (distance) P-C4' energy: -90.735 flat angles C4'-P-C4' energy: -90.894 flat angles P-C4'-P energy: -66.714 tors. eta vs tors. theta energy: -12.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -467.531420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.531420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.531420 (E_RNA) where: Base-Base interactions energy: -141.084 where: short stacking energy: -127.441 Base-Backbone interact. energy: -0.503 local terms energy: -325.944467 where: bonds (distance) C4'-P energy: -102.586 bonds (distance) P-C4' energy: -90.589 flat angles C4'-P-C4' energy: -81.815 flat angles P-C4'-P energy: -60.270 tors. eta vs tors. theta energy: 9.315 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: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -423.142958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.142958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.142958 (E_RNA) where: Base-Base interactions energy: -157.240 where: short stacking energy: -109.951 Base-Backbone interact. energy: 1.803 local terms energy: -267.705422 where: bonds (distance) C4'-P energy: -76.194 bonds (distance) P-C4' energy: -98.853 flat angles C4'-P-C4' energy: -67.991 flat angles P-C4'-P energy: -45.335 tors. eta vs tors. theta energy: 20.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1763.862772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.862772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.862772 (E_RNA) where: Base-Base interactions energy: -1199.978 where: short stacking energy: -544.233 Base-Backbone interact. energy: -1.130 local terms energy: -562.755265 where: bonds (distance) C4'-P energy: -101.236 bonds (distance) P-C4' energy: -112.472 flat angles C4'-P-C4' energy: -126.416 flat angles P-C4'-P energy: -58.629 tors. eta vs tors. theta energy: -164.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1673.821956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.821956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.821956 (E_RNA) where: Base-Base interactions energy: -1115.754 where: short stacking energy: -452.735 Base-Backbone interact. energy: -3.057 local terms energy: -555.010864 where: bonds (distance) C4'-P energy: -108.128 bonds (distance) P-C4' energy: -113.343 flat angles C4'-P-C4' energy: -112.909 flat angles P-C4'-P energy: -84.479 tors. eta vs tors. theta energy: -136.151 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: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1527.857732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.857732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.857732 (E_RNA) where: Base-Base interactions energy: -1005.607 where: short stacking energy: -455.276 Base-Backbone interact. energy: -3.285 local terms energy: -518.965458 where: bonds (distance) C4'-P energy: -99.493 bonds (distance) P-C4' energy: -110.279 flat angles C4'-P-C4' energy: -109.846 flat angles P-C4'-P energy: -68.735 tors. eta vs tors. theta energy: -130.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1469.994016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.994016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.994016 (E_RNA) where: Base-Base interactions energy: -1010.230 where: short stacking energy: -414.657 Base-Backbone interact. energy: -2.553 local terms energy: -457.211012 where: bonds (distance) C4'-P energy: -107.683 bonds (distance) P-C4' energy: -87.137 flat angles C4'-P-C4' energy: -95.555 flat angles P-C4'-P energy: -56.803 tors. eta vs tors. theta energy: -110.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1263.176564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.176564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.176564 (E_RNA) where: Base-Base interactions energy: -799.053 where: short stacking energy: -356.615 Base-Backbone interact. energy: -0.895 local terms energy: -463.228449 where: bonds (distance) C4'-P energy: -107.179 bonds (distance) P-C4' energy: -104.800 flat angles C4'-P-C4' energy: -102.958 flat angles P-C4'-P energy: -65.937 tors. eta vs tors. theta energy: -82.355 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: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1160.818641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.818641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.818641 (E_RNA) where: Base-Base interactions energy: -714.266 where: short stacking energy: -339.630 Base-Backbone interact. energy: 2.142 local terms energy: -448.695009 where: bonds (distance) C4'-P energy: -96.140 bonds (distance) P-C4' energy: -101.573 flat angles C4'-P-C4' energy: -107.692 flat angles P-C4'-P energy: -70.797 tors. eta vs tors. theta energy: -72.492 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: 63 Temperature: 1.200000 Total energy: -723.730478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.730478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.730478 (E_RNA) where: Base-Base interactions energy: -361.328 where: short stacking energy: -198.788 Base-Backbone interact. energy: 0.760 local terms energy: -363.162827 where: bonds (distance) C4'-P energy: -90.726 bonds (distance) P-C4' energy: -111.507 flat angles C4'-P-C4' energy: -85.034 flat angles P-C4'-P energy: -53.890 tors. eta vs tors. theta energy: -22.005 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: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -574.627450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.627450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.627450 (E_RNA) where: Base-Base interactions energy: -249.056 where: short stacking energy: -180.814 Base-Backbone interact. energy: 1.451 local terms energy: -327.022598 where: bonds (distance) C4'-P energy: -81.116 bonds (distance) P-C4' energy: -109.505 flat angles C4'-P-C4' energy: -65.234 flat angles P-C4'-P energy: -57.908 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: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -458.430851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.430851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.430851 (E_RNA) where: Base-Base interactions energy: -159.626 where: short stacking energy: -125.491 Base-Backbone interact. energy: 7.705 local terms energy: -306.509185 where: bonds (distance) C4'-P energy: -91.089 bonds (distance) P-C4' energy: -112.088 flat angles C4'-P-C4' energy: -91.429 flat angles P-C4'-P energy: -34.569 tors. eta vs tors. theta energy: 22.665 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: 63 Temperature: 1.350000 Total energy: -437.217844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.217844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.217844 (E_RNA) where: Base-Base interactions energy: -174.526 where: short stacking energy: -108.927 Base-Backbone interact. energy: 3.037 local terms energy: -265.728915 where: bonds (distance) C4'-P energy: -76.884 bonds (distance) P-C4' energy: -88.713 flat angles C4'-P-C4' energy: -78.336 flat angles P-C4'-P energy: -34.515 tors. eta vs tors. theta energy: 12.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1744.402937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.402937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.402937 (E_RNA) where: Base-Base interactions energy: -1186.632 where: short stacking energy: -524.447 Base-Backbone interact. energy: -1.487 local terms energy: -556.284157 where: bonds (distance) C4'-P energy: -119.714 bonds (distance) P-C4' energy: -109.646 flat angles C4'-P-C4' energy: -107.353 flat angles P-C4'-P energy: -69.608 tors. eta vs tors. theta energy: -149.963 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: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1668.676795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.676795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.676795 (E_RNA) where: Base-Base interactions energy: -1134.068 where: short stacking energy: -471.885 Base-Backbone interact. energy: -3.356 local terms energy: -531.252763 where: bonds (distance) C4'-P energy: -113.156 bonds (distance) P-C4' energy: -107.541 flat angles C4'-P-C4' energy: -116.665 flat angles P-C4'-P energy: -69.664 tors. eta vs tors. theta energy: -124.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1499.951006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.951006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.951006 (E_RNA) where: Base-Base interactions energy: -1009.248 where: short stacking energy: -435.634 Base-Backbone interact. energy: -1.743 local terms energy: -488.959991 where: bonds (distance) C4'-P energy: -96.822 bonds (distance) P-C4' energy: -102.857 flat angles C4'-P-C4' energy: -105.721 flat angles P-C4'-P energy: -71.849 tors. eta vs tors. theta energy: -111.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1468.552068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.552068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.552068 (E_RNA) where: Base-Base interactions energy: -964.755 where: short stacking energy: -410.274 Base-Backbone interact. energy: -5.633 local terms energy: -498.164076 where: bonds (distance) C4'-P energy: -98.592 bonds (distance) P-C4' energy: -106.656 flat angles C4'-P-C4' energy: -114.255 flat angles P-C4'-P energy: -72.008 tors. eta vs tors. theta energy: -106.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1244.573099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.573099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.573099 (E_RNA) where: Base-Base interactions energy: -762.781 where: short stacking energy: -358.837 Base-Backbone interact. energy: -1.089 local terms energy: -480.702770 where: bonds (distance) C4'-P energy: -109.589 bonds (distance) P-C4' energy: -93.512 flat angles C4'-P-C4' energy: -113.397 flat angles P-C4'-P energy: -75.723 tors. eta vs tors. theta energy: -88.483 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: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1180.407814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.407814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.407814 (E_RNA) where: Base-Base interactions energy: -722.129 where: short stacking energy: -340.523 Base-Backbone interact. energy: 1.165 local terms energy: -459.442930 where: bonds (distance) C4'-P energy: -117.889 bonds (distance) P-C4' energy: -103.165 flat angles C4'-P-C4' energy: -108.824 flat angles P-C4'-P energy: -63.355 tors. eta vs tors. theta energy: -66.209 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: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -745.710058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.710058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.710058 (E_RNA) where: Base-Base interactions energy: -402.801 where: short stacking energy: -197.733 Base-Backbone interact. energy: 4.224 local terms energy: -347.133086 where: bonds (distance) C4'-P energy: -102.219 bonds (distance) P-C4' energy: -103.987 flat angles C4'-P-C4' energy: -79.499 flat angles P-C4'-P energy: -56.417 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -589.129277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.129277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.129277 (E_RNA) where: Base-Base interactions energy: -269.548 where: short stacking energy: -173.137 Base-Backbone interact. energy: -1.144 local terms energy: -318.437872 where: bonds (distance) C4'-P energy: -80.666 bonds (distance) P-C4' energy: -92.835 flat angles C4'-P-C4' energy: -79.048 flat angles P-C4'-P energy: -47.646 tors. eta vs tors. theta energy: -18.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -456.299418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.299418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.299418 (E_RNA) where: Base-Base interactions energy: -172.502 where: short stacking energy: -139.253 Base-Backbone interact. energy: -2.001 local terms energy: -281.796780 where: bonds (distance) C4'-P energy: -77.181 bonds (distance) P-C4' energy: -91.940 flat angles C4'-P-C4' energy: -77.869 flat angles P-C4'-P energy: -45.481 tors. eta vs tors. theta energy: 10.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -408.564445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.564445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.564445 (E_RNA) where: Base-Base interactions energy: -145.932 where: short stacking energy: -116.368 Base-Backbone interact. energy: -2.553 local terms energy: -260.078956 where: bonds (distance) C4'-P energy: -80.489 bonds (distance) P-C4' energy: -100.153 flat angles C4'-P-C4' energy: -68.333 flat angles P-C4'-P energy: -36.796 tors. eta vs tors. theta energy: 25.691 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: 65 Temperature: 0.900000 Total energy: -1741.325577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.325577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.325577 (E_RNA) where: Base-Base interactions energy: -1170.148 where: short stacking energy: -502.928 Base-Backbone interact. energy: -1.330 local terms energy: -569.848099 where: bonds (distance) C4'-P energy: -111.267 bonds (distance) P-C4' energy: -112.535 flat angles C4'-P-C4' energy: -116.849 flat angles P-C4'-P energy: -81.601 tors. eta vs tors. theta energy: -147.596 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: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1670.640531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.640531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.640531 (E_RNA) where: Base-Base interactions energy: -1104.025 where: short stacking energy: -495.530 Base-Backbone interact. energy: -4.265 local terms energy: -562.350393 where: bonds (distance) C4'-P energy: -117.205 bonds (distance) P-C4' energy: -116.068 flat angles C4'-P-C4' energy: -121.431 flat angles P-C4'-P energy: -65.268 tors. eta vs tors. theta energy: -142.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1534.147584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.147584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.147584 (E_RNA) where: Base-Base interactions energy: -1029.858 where: short stacking energy: -420.652 Base-Backbone interact. energy: 1.662 local terms energy: -505.951621 where: bonds (distance) C4'-P energy: -100.572 bonds (distance) P-C4' energy: -108.985 flat angles C4'-P-C4' energy: -114.747 flat angles P-C4'-P energy: -68.469 tors. eta vs tors. theta energy: -113.179 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: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1490.678466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.678466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.678466 (E_RNA) where: Base-Base interactions energy: -976.248 where: short stacking energy: -458.449 Base-Backbone interact. energy: -3.919 local terms energy: -510.511381 where: bonds (distance) C4'-P energy: -99.217 bonds (distance) P-C4' energy: -108.052 flat angles C4'-P-C4' energy: -111.853 flat angles P-C4'-P energy: -63.599 tors. eta vs tors. theta energy: -127.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1209.992006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.992006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.992006 (E_RNA) where: Base-Base interactions energy: -760.115 where: short stacking energy: -361.843 Base-Backbone interact. energy: 1.210 local terms energy: -451.087150 where: bonds (distance) C4'-P energy: -90.109 bonds (distance) P-C4' energy: -111.642 flat angles C4'-P-C4' energy: -94.097 flat angles P-C4'-P energy: -58.453 tors. eta vs tors. theta energy: -96.787 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: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1154.732165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.732165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.732165 (E_RNA) where: Base-Base interactions energy: -715.048 where: short stacking energy: -301.746 Base-Backbone interact. energy: -3.626 local terms energy: -436.058573 where: bonds (distance) C4'-P energy: -95.984 bonds (distance) P-C4' energy: -108.712 flat angles C4'-P-C4' energy: -101.693 flat angles P-C4'-P energy: -65.806 tors. eta vs tors. theta energy: -63.864 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: 65 Temperature: 1.200000 Total energy: -777.281939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.281939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.281939 (E_RNA) where: Base-Base interactions energy: -386.508 where: short stacking energy: -233.485 Base-Backbone interact. energy: -0.223 local terms energy: -390.551085 where: bonds (distance) C4'-P energy: -100.208 bonds (distance) P-C4' energy: -81.076 flat angles C4'-P-C4' energy: -111.413 flat angles P-C4'-P energy: -58.911 tors. eta vs tors. theta energy: -38.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -638.077020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.077020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.077020 (E_RNA) where: Base-Base interactions energy: -306.495 where: short stacking energy: -172.217 Base-Backbone interact. energy: -0.454 local terms energy: -331.128111 where: bonds (distance) C4'-P energy: -94.751 bonds (distance) P-C4' energy: -85.418 flat angles C4'-P-C4' energy: -91.756 flat angles P-C4'-P energy: -43.315 tors. eta vs tors. theta energy: -15.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -468.581773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.581773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.581773 (E_RNA) where: Base-Base interactions energy: -169.178 where: short stacking energy: -120.527 Base-Backbone interact. energy: 1.779 local terms energy: -301.182558 where: bonds (distance) C4'-P energy: -109.913 bonds (distance) P-C4' energy: -90.936 flat angles C4'-P-C4' energy: -69.186 flat angles P-C4'-P energy: -44.165 tors. eta vs tors. theta energy: 13.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -425.878670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.878670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.878670 (E_RNA) where: Base-Base interactions energy: -122.221 where: short stacking energy: -104.822 Base-Backbone interact. energy: -0.588 local terms energy: -303.069443 where: bonds (distance) C4'-P energy: -96.431 bonds (distance) P-C4' energy: -111.406 flat angles C4'-P-C4' energy: -87.562 flat angles P-C4'-P energy: -41.995 tors. eta vs tors. theta energy: 34.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1773.896391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.896391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.896391 (E_RNA) where: Base-Base interactions energy: -1196.127 where: short stacking energy: -542.927 Base-Backbone interact. energy: -1.845 local terms energy: -575.924753 where: bonds (distance) C4'-P energy: -108.866 bonds (distance) P-C4' energy: -113.554 flat angles C4'-P-C4' energy: -121.154 flat angles P-C4'-P energy: -74.240 tors. eta vs tors. theta energy: -158.110 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: 2, replica: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1656.428985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.428985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.428985 (E_RNA) where: Base-Base interactions energy: -1104.279 where: short stacking energy: -476.016 Base-Backbone interact. energy: -1.297 local terms energy: -550.853011 where: bonds (distance) C4'-P energy: -120.183 bonds (distance) P-C4' energy: -107.651 flat angles C4'-P-C4' energy: -123.583 flat angles P-C4'-P energy: -64.146 tors. eta vs tors. theta energy: -135.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1579.609993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.609993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.609993 (E_RNA) where: Base-Base interactions energy: -1060.328 where: short stacking energy: -454.039 Base-Backbone interact. energy: -0.032 local terms energy: -519.250210 where: bonds (distance) C4'-P energy: -102.255 bonds (distance) P-C4' energy: -107.276 flat angles C4'-P-C4' energy: -120.890 flat angles P-C4'-P energy: -68.581 tors. eta vs tors. theta energy: -120.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1443.427854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.427854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.427854 (E_RNA) where: Base-Base interactions energy: -919.686 where: short stacking energy: -416.650 Base-Backbone interact. energy: -2.752 local terms energy: -520.990403 where: bonds (distance) C4'-P energy: -107.280 bonds (distance) P-C4' energy: -101.270 flat angles C4'-P-C4' energy: -110.740 flat angles P-C4'-P energy: -89.567 tors. eta vs tors. theta energy: -112.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1219.788910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.788910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.788910 (E_RNA) where: Base-Base interactions energy: -795.479 where: short stacking energy: -355.820 Base-Backbone interact. energy: -3.123 local terms energy: -421.187469 where: bonds (distance) C4'-P energy: -92.996 bonds (distance) P-C4' energy: -92.900 flat angles C4'-P-C4' energy: -84.330 flat angles P-C4'-P energy: -71.569 tors. eta vs tors. theta energy: -79.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1190.468173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.468173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.468173 (E_RNA) where: Base-Base interactions energy: -718.053 where: short stacking energy: -356.088 Base-Backbone interact. energy: 1.224 local terms energy: -473.639707 where: bonds (distance) C4'-P energy: -96.755 bonds (distance) P-C4' energy: -97.727 flat angles C4'-P-C4' energy: -108.071 flat angles P-C4'-P energy: -69.951 tors. eta vs tors. theta energy: -101.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -801.279285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.279285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.279285 (E_RNA) where: Base-Base interactions energy: -413.278 where: short stacking energy: -227.140 Base-Backbone interact. energy: -1.796 local terms energy: -386.205743 where: bonds (distance) C4'-P energy: -85.985 bonds (distance) P-C4' energy: -97.030 flat angles C4'-P-C4' energy: -100.008 flat angles P-C4'-P energy: -72.798 tors. eta vs tors. theta energy: -30.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -617.971408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.971408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.971408 (E_RNA) where: Base-Base interactions energy: -282.765 where: short stacking energy: -154.612 Base-Backbone interact. energy: -0.947 local terms energy: -334.259267 where: bonds (distance) C4'-P energy: -83.064 bonds (distance) P-C4' energy: -115.388 flat angles C4'-P-C4' energy: -87.822 flat angles P-C4'-P energy: -42.998 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -458.071920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.071920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.071920 (E_RNA) where: Base-Base interactions energy: -153.621 where: short stacking energy: -107.029 Base-Backbone interact. energy: 3.874 local terms energy: -308.324676 where: bonds (distance) C4'-P energy: -87.627 bonds (distance) P-C4' energy: -96.227 flat angles C4'-P-C4' energy: -85.273 flat angles P-C4'-P energy: -54.464 tors. eta vs tors. theta energy: 15.267 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: 8 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -487.147450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.147450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.147450 (E_RNA) where: Base-Base interactions energy: -219.852 where: short stacking energy: -144.597 Base-Backbone interact. energy: 2.292 local terms energy: -269.587143 where: bonds (distance) C4'-P energy: -88.735 bonds (distance) P-C4' energy: -96.239 flat angles C4'-P-C4' energy: -74.836 flat angles P-C4'-P energy: -29.980 tors. eta vs tors. theta energy: 20.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1758.875611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.875611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.875611 (E_RNA) where: Base-Base interactions energy: -1142.857 where: short stacking energy: -526.757 Base-Backbone interact. energy: -1.102 local terms energy: -614.916046 where: bonds (distance) C4'-P energy: -118.095 bonds (distance) P-C4' energy: -113.453 flat angles C4'-P-C4' energy: -128.625 flat angles P-C4'-P energy: -93.066 tors. eta vs tors. theta energy: -161.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1683.497875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.497875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.497875 (E_RNA) where: Base-Base interactions energy: -1155.840 where: short stacking energy: -480.447 Base-Backbone interact. energy: -5.565 local terms energy: -522.093691 where: bonds (distance) C4'-P energy: -99.869 bonds (distance) P-C4' energy: -101.368 flat angles C4'-P-C4' energy: -119.217 flat angles P-C4'-P energy: -66.785 tors. eta vs tors. theta energy: -134.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1554.729952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.729952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.729952 (E_RNA) where: Base-Base interactions energy: -1043.333 where: short stacking energy: -464.195 Base-Backbone interact. energy: 2.185 local terms energy: -513.581799 where: bonds (distance) C4'-P energy: -93.983 bonds (distance) P-C4' energy: -108.305 flat angles C4'-P-C4' energy: -118.594 flat angles P-C4'-P energy: -74.070 tors. eta vs tors. theta energy: -118.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1440.035622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.035622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.035622 (E_RNA) where: Base-Base interactions energy: -933.851 where: short stacking energy: -393.651 Base-Backbone interact. energy: -4.881 local terms energy: -501.303554 where: bonds (distance) C4'-P energy: -99.815 bonds (distance) P-C4' energy: -107.364 flat angles C4'-P-C4' energy: -110.350 flat angles P-C4'-P energy: -70.179 tors. eta vs tors. theta energy: -113.596 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: 67 Temperature: 1.100000 Total energy: -1193.270501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.270501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.270501 (E_RNA) where: Base-Base interactions energy: -736.463 where: short stacking energy: -356.739 Base-Backbone interact. energy: -2.563 local terms energy: -454.244502 where: bonds (distance) C4'-P energy: -93.605 bonds (distance) P-C4' energy: -98.090 flat angles C4'-P-C4' energy: -113.603 flat angles P-C4'-P energy: -60.595 tors. eta vs tors. theta energy: -88.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1231.384769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.384769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.384769 (E_RNA) where: Base-Base interactions energy: -773.011 where: short stacking energy: -355.805 Base-Backbone interact. energy: -0.889 local terms energy: -457.484728 where: bonds (distance) C4'-P energy: -103.948 bonds (distance) P-C4' energy: -82.634 flat angles C4'-P-C4' energy: -100.758 flat angles P-C4'-P energy: -68.685 tors. eta vs tors. theta energy: -101.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -813.317768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.317768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.317768 (E_RNA) where: Base-Base interactions energy: -444.295 where: short stacking energy: -248.720 Base-Backbone interact. energy: 0.818 local terms energy: -369.841058 where: bonds (distance) C4'-P energy: -91.921 bonds (distance) P-C4' energy: -89.147 flat angles C4'-P-C4' energy: -85.641 flat angles P-C4'-P energy: -61.162 tors. eta vs tors. theta energy: -41.971 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: 8, replica: 4 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -576.250534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.250534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.250534 (E_RNA) where: Base-Base interactions energy: -230.667 where: short stacking energy: -149.346 Base-Backbone interact. energy: -2.316 local terms energy: -343.267437 where: bonds (distance) C4'-P energy: -98.760 bonds (distance) P-C4' energy: -98.102 flat angles C4'-P-C4' energy: -80.314 flat angles P-C4'-P energy: -65.786 tors. eta vs tors. theta energy: -0.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -472.145455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.145455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.145455 (E_RNA) where: Base-Base interactions energy: -188.633 where: short stacking energy: -158.797 Base-Backbone interact. energy: -1.974 local terms energy: -281.537895 where: bonds (distance) C4'-P energy: -91.754 bonds (distance) P-C4' energy: -99.515 flat angles C4'-P-C4' energy: -70.935 flat angles P-C4'-P energy: -41.421 tors. eta vs tors. theta energy: 22.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -470.377024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.377024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.377024 (E_RNA) where: Base-Base interactions energy: -170.334 where: short stacking energy: -115.317 Base-Backbone interact. energy: -1.144 local terms energy: -298.899138 where: bonds (distance) C4'-P energy: -85.678 bonds (distance) P-C4' energy: -113.452 flat angles C4'-P-C4' energy: -77.908 flat angles P-C4'-P energy: -45.441 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: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1773.400999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.400999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.400999 (E_RNA) where: Base-Base interactions energy: -1188.436 where: short stacking energy: -545.857 Base-Backbone interact. energy: -1.045 local terms energy: -583.919662 where: bonds (distance) C4'-P energy: -116.246 bonds (distance) P-C4' energy: -109.827 flat angles C4'-P-C4' energy: -128.062 flat angles P-C4'-P energy: -70.175 tors. eta vs tors. theta energy: -159.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1709.196555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.196555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.196555 (E_RNA) where: Base-Base interactions energy: -1137.920 where: short stacking energy: -495.115 Base-Backbone interact. energy: -1.262 local terms energy: -570.014595 where: bonds (distance) C4'-P energy: -110.792 bonds (distance) P-C4' energy: -104.749 flat angles C4'-P-C4' energy: -132.475 flat angles P-C4'-P energy: -74.108 tors. eta vs tors. theta energy: -147.891 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: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1559.707839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.707839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.707839 (E_RNA) where: Base-Base interactions energy: -1066.882 where: short stacking energy: -458.260 Base-Backbone interact. energy: 1.434 local terms energy: -494.260443 where: bonds (distance) C4'-P energy: -103.221 bonds (distance) P-C4' energy: -101.819 flat angles C4'-P-C4' energy: -109.254 flat angles P-C4'-P energy: -65.712 tors. eta vs tors. theta energy: -114.254 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: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1466.771520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.771520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.771520 (E_RNA) where: Base-Base interactions energy: -984.321 where: short stacking energy: -418.381 Base-Backbone interact. energy: -2.536 local terms energy: -479.914607 where: bonds (distance) C4'-P energy: -109.294 bonds (distance) P-C4' energy: -88.637 flat angles C4'-P-C4' energy: -113.192 flat angles P-C4'-P energy: -51.271 tors. eta vs tors. theta energy: -117.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1344.458642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.458642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.458642 (E_RNA) where: Base-Base interactions energy: -882.223 where: short stacking energy: -390.919 Base-Backbone interact. energy: -1.528 local terms energy: -460.707413 where: bonds (distance) C4'-P energy: -100.251 bonds (distance) P-C4' energy: -101.409 flat angles C4'-P-C4' energy: -108.680 flat angles P-C4'-P energy: -52.773 tors. eta vs tors. theta energy: -97.594 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: 68 Temperature: 1.150000 Total energy: -1098.738464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.738464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.738464 (E_RNA) where: Base-Base interactions energy: -699.484 where: short stacking energy: -328.835 Base-Backbone interact. energy: -0.265 local terms energy: -398.989274 where: bonds (distance) C4'-P energy: -103.864 bonds (distance) P-C4' energy: -96.172 flat angles C4'-P-C4' energy: -88.520 flat angles P-C4'-P energy: -49.292 tors. eta vs tors. theta energy: -61.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -817.865943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.865943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.865943 (E_RNA) where: Base-Base interactions energy: -448.873 where: short stacking energy: -251.734 Base-Backbone interact. energy: 1.181 local terms energy: -370.174063 where: bonds (distance) C4'-P energy: -84.969 bonds (distance) P-C4' energy: -96.033 flat angles C4'-P-C4' energy: -89.187 flat angles P-C4'-P energy: -59.827 tors. eta vs tors. theta energy: -40.159 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: 8, replica: 4 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -590.558916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.558916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.558916 (E_RNA) where: Base-Base interactions energy: -255.367 where: short stacking energy: -166.489 Base-Backbone interact. energy: -2.660 local terms energy: -332.532587 where: bonds (distance) C4'-P energy: -87.313 bonds (distance) P-C4' energy: -113.343 flat angles C4'-P-C4' energy: -73.495 flat angles P-C4'-P energy: -56.269 tors. eta vs tors. theta energy: -2.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -515.328651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.328651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.328651 (E_RNA) where: Base-Base interactions energy: -204.828 where: short stacking energy: -121.739 Base-Backbone interact. energy: -2.464 local terms energy: -308.036598 where: bonds (distance) C4'-P energy: -87.345 bonds (distance) P-C4' energy: -109.800 flat angles C4'-P-C4' energy: -82.774 flat angles P-C4'-P energy: -39.102 tors. eta vs tors. theta energy: 10.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -426.653222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.653222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.653222 (E_RNA) where: Base-Base interactions energy: -146.512 where: short stacking energy: -104.093 Base-Backbone interact. energy: -3.810 local terms energy: -276.331589 where: bonds (distance) C4'-P energy: -77.303 bonds (distance) P-C4' energy: -91.336 flat angles C4'-P-C4' energy: -80.777 flat angles P-C4'-P energy: -42.283 tors. eta vs tors. theta energy: 15.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1788.094102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.094102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.094102 (E_RNA) where: Base-Base interactions energy: -1190.321 where: short stacking energy: -539.839 Base-Backbone interact. energy: -2.897 local terms energy: -594.876229 where: bonds (distance) C4'-P energy: -111.501 bonds (distance) P-C4' energy: -109.041 flat angles C4'-P-C4' energy: -123.312 flat angles P-C4'-P energy: -86.297 tors. eta vs tors. theta energy: -164.726 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: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1688.513598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.513598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.513598 (E_RNA) where: Base-Base interactions energy: -1143.131 where: short stacking energy: -490.808 Base-Backbone interact. energy: -4.505 local terms energy: -540.877652 where: bonds (distance) C4'-P energy: -102.893 bonds (distance) P-C4' energy: -95.462 flat angles C4'-P-C4' energy: -120.660 flat angles P-C4'-P energy: -76.631 tors. eta vs tors. theta energy: -145.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1565.016800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.016800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.016800 (E_RNA) where: Base-Base interactions energy: -1049.661 where: short stacking energy: -444.899 Base-Backbone interact. energy: 0.424 local terms energy: -515.780223 where: bonds (distance) C4'-P energy: -91.531 bonds (distance) P-C4' energy: -92.047 flat angles C4'-P-C4' energy: -128.020 flat angles P-C4'-P energy: -73.224 tors. eta vs tors. theta energy: -130.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1400.741674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.741674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.741674 (E_RNA) where: Base-Base interactions energy: -905.335 where: short stacking energy: -402.027 Base-Backbone interact. energy: -0.034 local terms energy: -495.373033 where: bonds (distance) C4'-P energy: -108.380 bonds (distance) P-C4' energy: -115.259 flat angles C4'-P-C4' energy: -98.871 flat angles P-C4'-P energy: -59.512 tors. eta vs tors. theta energy: -113.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1302.223307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.223307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.223307 (E_RNA) where: Base-Base interactions energy: -837.814 where: short stacking energy: -386.053 Base-Backbone interact. energy: 1.106 local terms energy: -465.514841 where: bonds (distance) C4'-P energy: -95.447 bonds (distance) P-C4' energy: -105.284 flat angles C4'-P-C4' energy: -95.061 flat angles P-C4'-P energy: -73.062 tors. eta vs tors. theta energy: -96.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1112.259265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.259265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.259265 (E_RNA) where: Base-Base interactions energy: -685.993 where: short stacking energy: -303.665 Base-Backbone interact. energy: -3.142 local terms energy: -423.123984 where: bonds (distance) C4'-P energy: -94.924 bonds (distance) P-C4' energy: -107.298 flat angles C4'-P-C4' energy: -90.777 flat angles P-C4'-P energy: -66.408 tors. eta vs tors. theta energy: -63.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -783.822363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.822363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.822363 (E_RNA) where: Base-Base interactions energy: -411.240 where: short stacking energy: -216.033 Base-Backbone interact. energy: -0.145 local terms energy: -372.438004 where: bonds (distance) C4'-P energy: -92.441 bonds (distance) P-C4' energy: -89.028 flat angles C4'-P-C4' energy: -89.249 flat angles P-C4'-P energy: -56.796 tors. eta vs tors. theta energy: -44.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -574.049174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.049174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.049174 (E_RNA) where: Base-Base interactions energy: -258.194 where: short stacking energy: -174.847 Base-Backbone interact. energy: 3.848 local terms energy: -319.702947 where: bonds (distance) C4'-P energy: -93.792 bonds (distance) P-C4' energy: -89.550 flat angles C4'-P-C4' energy: -74.412 flat angles P-C4'-P energy: -54.127 tors. eta vs tors. theta energy: -7.823 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: 69 Temperature: 1.300000 Total energy: -535.993288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.993288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.993288 (E_RNA) where: Base-Base interactions energy: -243.434 where: short stacking energy: -153.343 Base-Backbone interact. energy: -0.720 local terms energy: -291.839598 where: bonds (distance) C4'-P energy: -95.682 bonds (distance) P-C4' energy: -86.767 flat angles C4'-P-C4' energy: -75.487 flat angles P-C4'-P energy: -38.425 tors. eta vs tors. theta energy: 4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -399.749587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.749587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.749587 (E_RNA) where: Base-Base interactions energy: -129.307 where: short stacking energy: -102.651 Base-Backbone interact. energy: -1.201 local terms energy: -269.241444 where: bonds (distance) C4'-P energy: -73.134 bonds (distance) P-C4' energy: -96.974 flat angles C4'-P-C4' energy: -60.633 flat angles P-C4'-P energy: -56.828 tors. eta vs tors. theta energy: 18.327 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: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1814.961388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.961388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.961388 (E_RNA) where: Base-Base interactions energy: -1232.878 where: short stacking energy: -543.652 Base-Backbone interact. energy: -2.823 local terms energy: -579.260539 where: bonds (distance) C4'-P energy: -101.999 bonds (distance) P-C4' energy: -118.261 flat angles C4'-P-C4' energy: -118.437 flat angles P-C4'-P energy: -76.976 tors. eta vs tors. theta energy: -163.587 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: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1701.440861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.440861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.440861 (E_RNA) where: Base-Base interactions energy: -1135.574 where: short stacking energy: -467.472 Base-Backbone interact. energy: -3.311 local terms energy: -562.555792 where: bonds (distance) C4'-P energy: -112.018 bonds (distance) P-C4' energy: -110.602 flat angles C4'-P-C4' energy: -121.467 flat angles P-C4'-P energy: -85.217 tors. eta vs tors. theta energy: -133.251 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: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1589.771113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.771113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.771113 (E_RNA) where: Base-Base interactions energy: -1066.125 where: short stacking energy: -468.779 Base-Backbone interact. energy: 1.609 local terms energy: -525.254509 where: bonds (distance) C4'-P energy: -108.854 bonds (distance) P-C4' energy: -113.430 flat angles C4'-P-C4' energy: -113.161 flat angles P-C4'-P energy: -64.723 tors. eta vs tors. theta energy: -125.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1388.186382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.186382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.186382 (E_RNA) where: Base-Base interactions energy: -911.447 where: short stacking energy: -392.632 Base-Backbone interact. energy: -2.837 local terms energy: -473.902374 where: bonds (distance) C4'-P energy: -98.785 bonds (distance) P-C4' energy: -110.743 flat angles C4'-P-C4' energy: -103.254 flat angles P-C4'-P energy: -56.062 tors. eta vs tors. theta energy: -105.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1297.327892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.327892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.327892 (E_RNA) where: Base-Base interactions energy: -804.217 where: short stacking energy: -365.040 Base-Backbone interact. energy: 2.280 local terms energy: -495.390860 where: bonds (distance) C4'-P energy: -103.376 bonds (distance) P-C4' energy: -97.265 flat angles C4'-P-C4' energy: -116.667 flat angles P-C4'-P energy: -76.403 tors. eta vs tors. theta energy: -101.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1072.283437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.283437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.283437 (E_RNA) where: Base-Base interactions energy: -658.306 where: short stacking energy: -319.641 Base-Backbone interact. energy: -0.441 local terms energy: -413.536835 where: bonds (distance) C4'-P energy: -92.107 bonds (distance) P-C4' energy: -112.109 flat angles C4'-P-C4' energy: -75.535 flat angles P-C4'-P energy: -58.902 tors. eta vs tors. theta energy: -74.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -855.511879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.511879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.511879 (E_RNA) where: Base-Base interactions energy: -493.389 where: short stacking energy: -251.557 Base-Backbone interact. energy: 5.273 local terms energy: -367.395856 where: bonds (distance) C4'-P energy: -96.119 bonds (distance) P-C4' energy: -100.630 flat angles C4'-P-C4' energy: -93.730 flat angles P-C4'-P energy: -46.527 tors. eta vs tors. theta energy: -30.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -562.371028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.371028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.371028 (E_RNA) where: Base-Base interactions energy: -226.017 where: short stacking energy: -168.164 Base-Backbone interact. energy: -0.898 local terms energy: -335.456341 where: bonds (distance) C4'-P energy: -90.833 bonds (distance) P-C4' energy: -99.931 flat angles C4'-P-C4' energy: -84.043 flat angles P-C4'-P energy: -56.577 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -465.151087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.151087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.151087 (E_RNA) where: Base-Base interactions energy: -155.383 where: short stacking energy: -127.971 Base-Backbone interact. energy: 0.558 local terms energy: -310.325735 where: bonds (distance) C4'-P energy: -73.872 bonds (distance) P-C4' energy: -102.393 flat angles C4'-P-C4' energy: -87.078 flat angles P-C4'-P energy: -43.267 tors. eta vs tors. theta energy: -3.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -439.209521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.209521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.209521 (E_RNA) where: Base-Base interactions energy: -157.632 where: short stacking energy: -113.894 Base-Backbone interact. energy: 2.094 local terms energy: -283.672187 where: bonds (distance) C4'-P energy: -92.956 bonds (distance) P-C4' energy: -101.686 flat angles C4'-P-C4' energy: -84.114 flat angles P-C4'-P energy: -40.835 tors. eta vs tors. theta energy: 35.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1784.935031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.935031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.935031 (E_RNA) where: Base-Base interactions energy: -1186.478 where: short stacking energy: -536.281 Base-Backbone interact. energy: -0.209 local terms energy: -598.248459 where: bonds (distance) C4'-P energy: -103.433 bonds (distance) P-C4' energy: -117.924 flat angles C4'-P-C4' energy: -122.677 flat angles P-C4'-P energy: -90.464 tors. eta vs tors. theta energy: -163.750 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: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1664.110326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.110326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.110326 (E_RNA) where: Base-Base interactions energy: -1125.756 where: short stacking energy: -469.186 Base-Backbone interact. energy: -4.014 local terms energy: -534.340929 where: bonds (distance) C4'-P energy: -105.765 bonds (distance) P-C4' energy: -115.076 flat angles C4'-P-C4' energy: -112.268 flat angles P-C4'-P energy: -79.304 tors. eta vs tors. theta energy: -121.927 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: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1537.768317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.768317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.768317 (E_RNA) where: Base-Base interactions energy: -1007.573 where: short stacking energy: -422.190 Base-Backbone interact. energy: 3.732 local terms energy: -533.927527 where: bonds (distance) C4'-P energy: -115.728 bonds (distance) P-C4' energy: -109.650 flat angles C4'-P-C4' energy: -107.776 flat angles P-C4'-P energy: -85.944 tors. eta vs tors. theta energy: -114.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1442.861217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.861217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.861217 (E_RNA) where: Base-Base interactions energy: -941.523 where: short stacking energy: -414.671 Base-Backbone interact. energy: -3.585 local terms energy: -497.752721 where: bonds (distance) C4'-P energy: -96.544 bonds (distance) P-C4' energy: -107.143 flat angles C4'-P-C4' energy: -125.102 flat angles P-C4'-P energy: -70.485 tors. eta vs tors. theta energy: -98.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1338.211970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.211970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.211970 (E_RNA) where: Base-Base interactions energy: -840.563 where: short stacking energy: -391.970 Base-Backbone interact. energy: -0.930 local terms energy: -496.718909 where: bonds (distance) C4'-P energy: -100.217 bonds (distance) P-C4' energy: -123.716 flat angles C4'-P-C4' energy: -108.316 flat angles P-C4'-P energy: -65.309 tors. eta vs tors. theta energy: -99.161 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: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1107.834180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.834180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.834180 (E_RNA) where: Base-Base interactions energy: -659.945 where: short stacking energy: -322.607 Base-Backbone interact. energy: 0.632 local terms energy: -448.520519 where: bonds (distance) C4'-P energy: -100.411 bonds (distance) P-C4' energy: -104.115 flat angles C4'-P-C4' energy: -107.989 flat angles P-C4'-P energy: -64.632 tors. eta vs tors. theta energy: -71.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -775.654419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.654419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.654419 (E_RNA) where: Base-Base interactions energy: -405.037 where: short stacking energy: -228.471 Base-Backbone interact. energy: 2.090 local terms energy: -372.707419 where: bonds (distance) C4'-P energy: -82.906 bonds (distance) P-C4' energy: -103.246 flat angles C4'-P-C4' energy: -102.385 flat angles P-C4'-P energy: -53.185 tors. eta vs tors. theta energy: -30.986 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: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -592.579123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.579123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.579123 (E_RNA) where: Base-Base interactions energy: -271.648 where: short stacking energy: -186.180 Base-Backbone interact. energy: 0.439 local terms energy: -321.370012 where: bonds (distance) C4'-P energy: -67.090 bonds (distance) P-C4' energy: -95.480 flat angles C4'-P-C4' energy: -81.717 flat angles P-C4'-P energy: -58.527 tors. eta vs tors. theta energy: -18.556 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: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -495.119543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.119543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.119543 (E_RNA) where: Base-Base interactions energy: -193.013 where: short stacking energy: -142.190 Base-Backbone interact. energy: -2.969 local terms energy: -299.137566 where: bonds (distance) C4'-P energy: -87.364 bonds (distance) P-C4' energy: -90.255 flat angles C4'-P-C4' energy: -78.140 flat angles P-C4'-P energy: -41.190 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -433.504934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.504934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.504934 (E_RNA) where: Base-Base interactions energy: -134.370 where: short stacking energy: -116.049 Base-Backbone interact. energy: 6.612 local terms energy: -305.746436 where: bonds (distance) C4'-P energy: -81.962 bonds (distance) P-C4' energy: -94.941 flat angles C4'-P-C4' energy: -90.103 flat angles P-C4'-P energy: -44.606 tors. eta vs tors. theta energy: 5.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1827.327362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.327362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.327362 (E_RNA) where: Base-Base interactions energy: -1223.789 where: short stacking energy: -544.758 Base-Backbone interact. energy: -0.076 local terms energy: -603.462662 where: bonds (distance) C4'-P energy: -117.581 bonds (distance) P-C4' energy: -116.647 flat angles C4'-P-C4' energy: -125.587 flat angles P-C4'-P energy: -85.738 tors. eta vs tors. theta energy: -157.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1648.703272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.703272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.703272 (E_RNA) where: Base-Base interactions energy: -1106.313 where: short stacking energy: -479.666 Base-Backbone interact. energy: -2.401 local terms energy: -539.989813 where: bonds (distance) C4'-P energy: -110.007 bonds (distance) P-C4' energy: -118.058 flat angles C4'-P-C4' energy: -113.543 flat angles P-C4'-P energy: -71.870 tors. eta vs tors. theta energy: -126.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1522.055953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.055953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.055953 (E_RNA) where: Base-Base interactions energy: -1009.852 where: short stacking energy: -423.120 Base-Backbone interact. energy: -1.908 local terms energy: -510.295486 where: bonds (distance) C4'-P energy: -103.907 bonds (distance) P-C4' energy: -114.165 flat angles C4'-P-C4' energy: -105.548 flat angles P-C4'-P energy: -75.103 tors. eta vs tors. theta energy: -111.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1455.098296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.098296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.098296 (E_RNA) where: Base-Base interactions energy: -959.836 where: short stacking energy: -427.966 Base-Backbone interact. energy: -2.623 local terms energy: -492.639662 where: bonds (distance) C4'-P energy: -89.472 bonds (distance) P-C4' energy: -105.665 flat angles C4'-P-C4' energy: -120.399 flat angles P-C4'-P energy: -67.192 tors. eta vs tors. theta energy: -109.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1284.135478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.135478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.135478 (E_RNA) where: Base-Base interactions energy: -787.189 where: short stacking energy: -359.583 Base-Backbone interact. energy: -1.068 local terms energy: -495.878571 where: bonds (distance) C4'-P energy: -100.553 bonds (distance) P-C4' energy: -116.568 flat angles C4'-P-C4' energy: -115.351 flat angles P-C4'-P energy: -62.094 tors. eta vs tors. theta energy: -101.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1071.104876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.104876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.104876 (E_RNA) where: Base-Base interactions energy: -691.262 where: short stacking energy: -305.585 Base-Backbone interact. energy: -2.287 local terms energy: -377.556013 where: bonds (distance) C4'-P energy: -85.455 bonds (distance) P-C4' energy: -87.535 flat angles C4'-P-C4' energy: -93.427 flat angles P-C4'-P energy: -65.005 tors. eta vs tors. theta energy: -46.133 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: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -776.739293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.739293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.739293 (E_RNA) where: Base-Base interactions energy: -437.491 where: short stacking energy: -204.759 Base-Backbone interact. energy: 0.735 local terms energy: -339.984084 where: bonds (distance) C4'-P energy: -86.900 bonds (distance) P-C4' energy: -94.803 flat angles C4'-P-C4' energy: -88.402 flat angles P-C4'-P energy: -53.817 tors. eta vs tors. theta energy: -16.062 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: 8, replica: 4 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -590.406905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.406905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.406905 (E_RNA) where: Base-Base interactions energy: -264.991 where: short stacking energy: -178.866 Base-Backbone interact. energy: 2.989 local terms energy: -328.405568 where: bonds (distance) C4'-P energy: -82.491 bonds (distance) P-C4' energy: -100.783 flat angles C4'-P-C4' energy: -107.683 flat angles P-C4'-P energy: -48.606 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: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -473.477726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.477726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.477726 (E_RNA) where: Base-Base interactions energy: -185.186 where: short stacking energy: -128.283 Base-Backbone interact. energy: -2.272 local terms energy: -286.019869 where: bonds (distance) C4'-P energy: -87.473 bonds (distance) P-C4' energy: -88.700 flat angles C4'-P-C4' energy: -93.268 flat angles P-C4'-P energy: -37.833 tors. eta vs tors. theta energy: 21.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -448.592969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.592969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.592969 (E_RNA) where: Base-Base interactions energy: -160.234 where: short stacking energy: -129.767 Base-Backbone interact. energy: 4.723 local terms energy: -293.082554 where: bonds (distance) C4'-P energy: -86.735 bonds (distance) P-C4' energy: -91.709 flat angles C4'-P-C4' energy: -80.570 flat angles P-C4'-P energy: -43.313 tors. eta vs tors. theta energy: 9.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1832.966838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.966838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.966838 (E_RNA) where: Base-Base interactions energy: -1230.663 where: short stacking energy: -541.349 Base-Backbone interact. energy: 0.331 local terms energy: -602.634789 where: bonds (distance) C4'-P energy: -111.315 bonds (distance) P-C4' energy: -112.422 flat angles C4'-P-C4' energy: -125.864 flat angles P-C4'-P energy: -90.335 tors. eta vs tors. theta energy: -162.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1640.116241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.116241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.116241 (E_RNA) where: Base-Base interactions energy: -1109.275 where: short stacking energy: -474.959 Base-Backbone interact. energy: -4.896 local terms energy: -525.945349 where: bonds (distance) C4'-P energy: -114.279 bonds (distance) P-C4' energy: -95.742 flat angles C4'-P-C4' energy: -123.389 flat angles P-C4'-P energy: -63.701 tors. eta vs tors. theta energy: -128.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1508.431520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.431520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.431520 (E_RNA) where: Base-Base interactions energy: -1004.320 where: short stacking energy: -462.629 Base-Backbone interact. energy: 1.471 local terms energy: -505.582900 where: bonds (distance) C4'-P energy: -99.537 bonds (distance) P-C4' energy: -116.955 flat angles C4'-P-C4' energy: -109.284 flat angles P-C4'-P energy: -59.999 tors. eta vs tors. theta energy: -119.808 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: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1428.767272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.767272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.767272 (E_RNA) where: Base-Base interactions energy: -923.907 where: short stacking energy: -437.753 Base-Backbone interact. energy: -3.168 local terms energy: -501.691985 where: bonds (distance) C4'-P energy: -97.709 bonds (distance) P-C4' energy: -100.023 flat angles C4'-P-C4' energy: -108.521 flat angles P-C4'-P energy: -74.217 tors. eta vs tors. theta energy: -121.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1293.773449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.773449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.773449 (E_RNA) where: Base-Base interactions energy: -826.021 where: short stacking energy: -389.576 Base-Backbone interact. energy: 3.293 local terms energy: -471.045452 where: bonds (distance) C4'-P energy: -104.396 bonds (distance) P-C4' energy: -101.746 flat angles C4'-P-C4' energy: -96.890 flat angles P-C4'-P energy: -66.673 tors. eta vs tors. theta energy: -101.340 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: 73 Temperature: 1.150000 Total energy: -1062.890118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.890118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.890118 (E_RNA) where: Base-Base interactions energy: -640.039 where: short stacking energy: -313.480 Base-Backbone interact. energy: 0.892 local terms energy: -423.743070 where: bonds (distance) C4'-P energy: -92.928 bonds (distance) P-C4' energy: -105.171 flat angles C4'-P-C4' energy: -104.618 flat angles P-C4'-P energy: -64.550 tors. eta vs tors. theta energy: -56.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -849.300638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.300638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.300638 (E_RNA) where: Base-Base interactions energy: -474.474 where: short stacking energy: -275.881 Base-Backbone interact. energy: -0.683 local terms energy: -374.144010 where: bonds (distance) C4'-P energy: -85.371 bonds (distance) P-C4' energy: -86.608 flat angles C4'-P-C4' energy: -92.084 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: -54.336 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: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -552.549147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.549147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.549147 (E_RNA) where: Base-Base interactions energy: -238.885 where: short stacking energy: -151.735 Base-Backbone interact. energy: 3.053 local terms energy: -316.716905 where: bonds (distance) C4'-P energy: -94.858 bonds (distance) P-C4' energy: -102.145 flat angles C4'-P-C4' energy: -89.900 flat angles P-C4'-P energy: -36.664 tors. eta vs tors. theta energy: 6.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -496.083650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.083650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.083650 (E_RNA) where: Base-Base interactions energy: -163.683 where: short stacking energy: -114.706 Base-Backbone interact. energy: 1.682 local terms energy: -334.082201 where: bonds (distance) C4'-P energy: -96.494 bonds (distance) P-C4' energy: -104.339 flat angles C4'-P-C4' energy: -75.047 flat angles P-C4'-P energy: -64.278 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: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -442.837623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.837623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.837623 (E_RNA) where: Base-Base interactions energy: -176.764 where: short stacking energy: -118.128 Base-Backbone interact. energy: -1.271 local terms energy: -264.801933 where: bonds (distance) C4'-P energy: -78.751 bonds (distance) P-C4' energy: -94.425 flat angles C4'-P-C4' energy: -66.686 flat angles P-C4'-P energy: -47.918 tors. eta vs tors. theta energy: 22.978 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: 74 Temperature: 0.900000 Total energy: -1798.599832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.599832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.599832 (E_RNA) where: Base-Base interactions energy: -1204.902 where: short stacking energy: -543.405 Base-Backbone interact. energy: -2.113 local terms energy: -591.584811 where: bonds (distance) C4'-P energy: -117.521 bonds (distance) P-C4' energy: -109.126 flat angles C4'-P-C4' energy: -121.535 flat angles P-C4'-P energy: -79.186 tors. eta vs tors. theta energy: -164.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1667.479785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.479785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.479785 (E_RNA) where: Base-Base interactions energy: -1109.003 where: short stacking energy: -453.142 Base-Backbone interact. energy: -5.060 local terms energy: -553.416060 where: bonds (distance) C4'-P energy: -103.065 bonds (distance) P-C4' energy: -116.729 flat angles C4'-P-C4' energy: -125.703 flat angles P-C4'-P energy: -76.804 tors. eta vs tors. theta energy: -131.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1534.378588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.378588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.378588 (E_RNA) where: Base-Base interactions energy: -1006.875 where: short stacking energy: -436.297 Base-Backbone interact. energy: 0.269 local terms energy: -527.771856 where: bonds (distance) C4'-P energy: -110.026 bonds (distance) P-C4' energy: -100.549 flat angles C4'-P-C4' energy: -121.183 flat angles P-C4'-P energy: -70.033 tors. eta vs tors. theta energy: -125.981 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: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1533.722358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.722358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.722358 (E_RNA) where: Base-Base interactions energy: -1017.099 where: short stacking energy: -437.808 Base-Backbone interact. energy: -3.261 local terms energy: -513.362079 where: bonds (distance) C4'-P energy: -97.988 bonds (distance) P-C4' energy: -106.059 flat angles C4'-P-C4' energy: -106.894 flat angles P-C4'-P energy: -72.744 tors. eta vs tors. theta energy: -129.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1307.657298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.657298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.657298 (E_RNA) where: Base-Base interactions energy: -843.462 where: short stacking energy: -380.970 Base-Backbone interact. energy: -1.936 local terms energy: -462.258919 where: bonds (distance) C4'-P energy: -92.129 bonds (distance) P-C4' energy: -102.531 flat angles C4'-P-C4' energy: -108.351 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: -96.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1092.912913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.912913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.912913 (E_RNA) where: Base-Base interactions energy: -661.497 where: short stacking energy: -304.088 Base-Backbone interact. energy: -0.231 local terms energy: -431.184583 where: bonds (distance) C4'-P energy: -94.219 bonds (distance) P-C4' energy: -92.606 flat angles C4'-P-C4' energy: -101.528 flat angles P-C4'-P energy: -61.774 tors. eta vs tors. theta energy: -81.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -811.856007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.856007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.856007 (E_RNA) where: Base-Base interactions energy: -432.196 where: short stacking energy: -224.503 Base-Backbone interact. energy: -2.026 local terms energy: -377.633256 where: bonds (distance) C4'-P energy: -86.452 bonds (distance) P-C4' energy: -104.323 flat angles C4'-P-C4' energy: -96.615 flat angles P-C4'-P energy: -52.810 tors. eta vs tors. theta energy: -37.433 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: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -575.907640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.907640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.907640 (E_RNA) where: Base-Base interactions energy: -224.723 where: short stacking energy: -152.072 Base-Backbone interact. energy: 2.349 local terms energy: -353.534483 where: bonds (distance) C4'-P energy: -109.443 bonds (distance) P-C4' energy: -100.287 flat angles C4'-P-C4' energy: -81.679 flat angles P-C4'-P energy: -59.033 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -489.044790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.044790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.044790 (E_RNA) where: Base-Base interactions energy: -191.390 where: short stacking energy: -112.406 Base-Backbone interact. energy: 0.102 local terms energy: -297.756832 where: bonds (distance) C4'-P energy: -101.913 bonds (distance) P-C4' energy: -89.245 flat angles C4'-P-C4' energy: -95.827 flat angles P-C4'-P energy: -43.271 tors. eta vs tors. theta energy: 32.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -450.457301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.457301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.457301 (E_RNA) where: Base-Base interactions energy: -172.846 where: short stacking energy: -128.579 Base-Backbone interact. energy: -4.279 local terms energy: -273.332151 where: bonds (distance) C4'-P energy: -95.143 bonds (distance) P-C4' energy: -97.068 flat angles C4'-P-C4' energy: -81.058 flat angles P-C4'-P energy: -25.311 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: 1, replica: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1791.218323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.218323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.218323 (E_RNA) where: Base-Base interactions energy: -1221.610 where: short stacking energy: -539.144 Base-Backbone interact. energy: -0.163 local terms energy: -569.444984 where: bonds (distance) C4'-P energy: -105.709 bonds (distance) P-C4' energy: -106.894 flat angles C4'-P-C4' energy: -115.918 flat angles P-C4'-P energy: -81.771 tors. eta vs tors. theta energy: -159.152 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: 2 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1677.591319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.591319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.591319 (E_RNA) where: Base-Base interactions energy: -1121.229 where: short stacking energy: -472.745 Base-Backbone interact. energy: -1.762 local terms energy: -554.599375 where: bonds (distance) C4'-P energy: -107.532 bonds (distance) P-C4' energy: -112.928 flat angles C4'-P-C4' energy: -127.563 flat angles P-C4'-P energy: -64.820 tors. eta vs tors. theta energy: -141.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1534.997294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.997294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.997294 (E_RNA) where: Base-Base interactions energy: -1011.425 where: short stacking energy: -443.765 Base-Backbone interact. energy: -2.438 local terms energy: -521.134591 where: bonds (distance) C4'-P energy: -94.975 bonds (distance) P-C4' energy: -115.579 flat angles C4'-P-C4' energy: -123.679 flat angles P-C4'-P energy: -67.921 tors. eta vs tors. theta energy: -118.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1523.135660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.135660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.135660 (E_RNA) where: Base-Base interactions energy: -998.432 where: short stacking energy: -442.971 Base-Backbone interact. energy: -3.171 local terms energy: -521.532750 where: bonds (distance) C4'-P energy: -92.155 bonds (distance) P-C4' energy: -103.708 flat angles C4'-P-C4' energy: -124.295 flat angles P-C4'-P energy: -68.322 tors. eta vs tors. theta energy: -133.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1267.665813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.665813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.665813 (E_RNA) where: Base-Base interactions energy: -824.359 where: short stacking energy: -383.981 Base-Backbone interact. energy: 5.717 local terms energy: -449.023181 where: bonds (distance) C4'-P energy: -89.512 bonds (distance) P-C4' energy: -91.806 flat angles C4'-P-C4' energy: -120.803 flat angles P-C4'-P energy: -50.796 tors. eta vs tors. theta energy: -96.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1085.483635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.483635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.483635 (E_RNA) where: Base-Base interactions energy: -661.050 where: short stacking energy: -315.537 Base-Backbone interact. energy: -0.746 local terms energy: -423.687148 where: bonds (distance) C4'-P energy: -103.522 bonds (distance) P-C4' energy: -104.627 flat angles C4'-P-C4' energy: -105.487 flat angles P-C4'-P energy: -50.787 tors. eta vs tors. theta energy: -59.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -801.131308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.131308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.131308 (E_RNA) where: Base-Base interactions energy: -440.462 where: short stacking energy: -250.414 Base-Backbone interact. energy: -1.134 local terms energy: -359.535621 where: bonds (distance) C4'-P energy: -79.619 bonds (distance) P-C4' energy: -107.533 flat angles C4'-P-C4' energy: -86.964 flat angles P-C4'-P energy: -51.383 tors. eta vs tors. theta energy: -34.037 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: 8, replica: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -583.248504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.248504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.248504 (E_RNA) where: Base-Base interactions energy: -247.933 where: short stacking energy: -164.133 Base-Backbone interact. energy: -0.407 local terms energy: -334.907825 where: bonds (distance) C4'-P energy: -98.348 bonds (distance) P-C4' energy: -102.296 flat angles C4'-P-C4' energy: -96.034 flat angles P-C4'-P energy: -52.592 tors. eta vs tors. theta energy: 14.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -464.059228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.059228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.059228 (E_RNA) where: Base-Base interactions energy: -192.715 where: short stacking energy: -128.180 Base-Backbone interact. energy: -1.555 local terms energy: -269.789748 where: bonds (distance) C4'-P energy: -86.979 bonds (distance) P-C4' energy: -85.420 flat angles C4'-P-C4' energy: -76.710 flat angles P-C4'-P energy: -30.305 tors. eta vs tors. theta energy: 9.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -419.728039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.728039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.728039 (E_RNA) where: Base-Base interactions energy: -141.765 where: short stacking energy: -126.508 Base-Backbone interact. energy: 0.290 local terms energy: -278.253079 where: bonds (distance) C4'-P energy: -97.629 bonds (distance) P-C4' energy: -99.752 flat angles C4'-P-C4' energy: -69.959 flat angles P-C4'-P energy: -40.856 tors. eta vs tors. theta energy: 29.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1796.353081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.353081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.353081 (E_RNA) where: Base-Base interactions energy: -1213.167 where: short stacking energy: -540.024 Base-Backbone interact. energy: -1.478 local terms energy: -581.708839 where: bonds (distance) C4'-P energy: -111.246 bonds (distance) P-C4' energy: -115.868 flat angles C4'-P-C4' energy: -125.579 flat angles P-C4'-P energy: -76.035 tors. eta vs tors. theta energy: -152.981 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: 2, replica: 2 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1670.560762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.560762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.560762 (E_RNA) where: Base-Base interactions energy: -1119.449 where: short stacking energy: -466.569 Base-Backbone interact. energy: -2.790 local terms energy: -548.321091 where: bonds (distance) C4'-P energy: -100.277 bonds (distance) P-C4' energy: -104.970 flat angles C4'-P-C4' energy: -122.696 flat angles P-C4'-P energy: -74.678 tors. eta vs tors. theta energy: -145.699 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: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1533.519201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.519201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.519201 (E_RNA) where: Base-Base interactions energy: -1021.374 where: short stacking energy: -449.289 Base-Backbone interact. energy: -4.254 local terms energy: -507.891266 where: bonds (distance) C4'-P energy: -103.200 bonds (distance) P-C4' energy: -88.273 flat angles C4'-P-C4' energy: -129.536 flat angles P-C4'-P energy: -66.212 tors. eta vs tors. theta energy: -120.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1447.373891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.373891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.373891 (E_RNA) where: Base-Base interactions energy: -980.423 where: short stacking energy: -425.258 Base-Backbone interact. energy: -2.105 local terms energy: -464.846135 where: bonds (distance) C4'-P energy: -86.454 bonds (distance) P-C4' energy: -94.687 flat angles C4'-P-C4' energy: -107.457 flat angles P-C4'-P energy: -70.980 tors. eta vs tors. theta energy: -105.268 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: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1285.782407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.782407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.782407 (E_RNA) where: Base-Base interactions energy: -785.275 where: short stacking energy: -345.993 Base-Backbone interact. energy: -0.424 local terms energy: -500.083129 where: bonds (distance) C4'-P energy: -98.878 bonds (distance) P-C4' energy: -112.876 flat angles C4'-P-C4' energy: -112.437 flat angles P-C4'-P energy: -73.004 tors. eta vs tors. theta energy: -102.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1063.302028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.302028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.302028 (E_RNA) where: Base-Base interactions energy: -644.425 where: short stacking energy: -288.912 Base-Backbone interact. energy: -1.306 local terms energy: -417.571812 where: bonds (distance) C4'-P energy: -86.865 bonds (distance) P-C4' energy: -103.918 flat angles C4'-P-C4' energy: -109.868 flat angles P-C4'-P energy: -53.945 tors. eta vs tors. theta energy: -62.976 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: 7, replica: 10 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -842.745068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.745068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.745068 (E_RNA) where: Base-Base interactions energy: -453.047 where: short stacking energy: -242.659 Base-Backbone interact. energy: 1.722 local terms energy: -391.419994 where: bonds (distance) C4'-P energy: -104.473 bonds (distance) P-C4' energy: -92.724 flat angles C4'-P-C4' energy: -108.490 flat angles P-C4'-P energy: -58.224 tors. eta vs tors. theta energy: -27.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -655.010198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.010198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.010198 (E_RNA) where: Base-Base interactions energy: -314.693 where: short stacking energy: -160.998 Base-Backbone interact. energy: 0.538 local terms energy: -340.854390 where: bonds (distance) C4'-P energy: -87.928 bonds (distance) P-C4' energy: -102.899 flat angles C4'-P-C4' energy: -103.393 flat angles P-C4'-P energy: -52.164 tors. eta vs tors. theta energy: 5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -548.690520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.690520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.690520 (E_RNA) where: Base-Base interactions energy: -219.606 where: short stacking energy: -143.222 Base-Backbone interact. energy: 1.199 local terms energy: -330.282826 where: bonds (distance) C4'-P energy: -94.796 bonds (distance) P-C4' energy: -102.969 flat angles C4'-P-C4' energy: -90.615 flat angles P-C4'-P energy: -34.902 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -427.052570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.052570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.052570 (E_RNA) where: Base-Base interactions energy: -140.137 where: short stacking energy: -108.723 Base-Backbone interact. energy: 6.042 local terms energy: -292.956993 where: bonds (distance) C4'-P energy: -104.794 bonds (distance) P-C4' energy: -86.255 flat angles C4'-P-C4' energy: -77.536 flat angles P-C4'-P energy: -54.481 tors. eta vs tors. theta energy: 30.110 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: 77 Temperature: 0.900000 Total energy: -1836.320576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.320576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.320576 (E_RNA) where: Base-Base interactions energy: -1257.790 where: short stacking energy: -543.884 Base-Backbone interact. energy: 0.539 local terms energy: -579.069489 where: bonds (distance) C4'-P energy: -115.128 bonds (distance) P-C4' energy: -101.581 flat angles C4'-P-C4' energy: -123.905 flat angles P-C4'-P energy: -77.043 tors. eta vs tors. theta energy: -161.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1714.720203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.720203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.720203 (E_RNA) where: Base-Base interactions energy: -1172.476 where: short stacking energy: -456.952 Base-Backbone interact. energy: -1.630 local terms energy: -540.613890 where: bonds (distance) C4'-P energy: -110.498 bonds (distance) P-C4' energy: -111.264 flat angles C4'-P-C4' energy: -115.719 flat angles P-C4'-P energy: -71.554 tors. eta vs tors. theta energy: -131.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1531.034092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.034092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.034092 (E_RNA) where: Base-Base interactions energy: -1018.465 where: short stacking energy: -443.044 Base-Backbone interact. energy: -6.319 local terms energy: -506.250660 where: bonds (distance) C4'-P energy: -81.733 bonds (distance) P-C4' energy: -117.009 flat angles C4'-P-C4' energy: -109.877 flat angles P-C4'-P energy: -77.633 tors. eta vs tors. theta energy: -119.998 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: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1434.743191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.743191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.743191 (E_RNA) where: Base-Base interactions energy: -927.535 where: short stacking energy: -415.475 Base-Backbone interact. energy: -1.725 local terms energy: -505.482750 where: bonds (distance) C4'-P energy: -89.985 bonds (distance) P-C4' energy: -112.360 flat angles C4'-P-C4' energy: -111.258 flat angles P-C4'-P energy: -74.139 tors. eta vs tors. theta energy: -117.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1286.927904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.927904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.927904 (E_RNA) where: Base-Base interactions energy: -821.046 where: short stacking energy: -398.338 Base-Backbone interact. energy: 10.103 local terms energy: -475.985170 where: bonds (distance) C4'-P energy: -87.670 bonds (distance) P-C4' energy: -104.273 flat angles C4'-P-C4' energy: -109.523 flat angles P-C4'-P energy: -69.085 tors. eta vs tors. theta energy: -105.434 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: 77 Temperature: 1.150000 Total energy: -1077.459915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.459915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.459915 (E_RNA) where: Base-Base interactions energy: -657.091 where: short stacking energy: -314.598 Base-Backbone interact. energy: -2.351 local terms energy: -418.018107 where: bonds (distance) C4'-P energy: -105.657 bonds (distance) P-C4' energy: -89.586 flat angles C4'-P-C4' energy: -93.775 flat angles P-C4'-P energy: -57.838 tors. eta vs tors. theta energy: -71.162 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: 77 Temperature: 1.200000 Total energy: -746.499842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.499842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.499842 (E_RNA) where: Base-Base interactions energy: -394.910 where: short stacking energy: -232.358 Base-Backbone interact. energy: 0.158 local terms energy: -351.747201 where: bonds (distance) C4'-P energy: -91.354 bonds (distance) P-C4' energy: -105.448 flat angles C4'-P-C4' energy: -81.867 flat angles P-C4'-P energy: -54.681 tors. eta vs tors. theta energy: -18.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -608.862806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.862806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.862806 (E_RNA) where: Base-Base interactions energy: -290.888 where: short stacking energy: -175.667 Base-Backbone interact. energy: 3.886 local terms energy: -321.860689 where: bonds (distance) C4'-P energy: -81.767 bonds (distance) P-C4' energy: -102.779 flat angles C4'-P-C4' energy: -89.762 flat angles P-C4'-P energy: -46.046 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -507.618963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.618963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.618963 (E_RNA) where: Base-Base interactions energy: -193.451 where: short stacking energy: -120.040 Base-Backbone interact. energy: 6.532 local terms energy: -320.700063 where: bonds (distance) C4'-P energy: -93.218 bonds (distance) P-C4' energy: -95.513 flat angles C4'-P-C4' energy: -88.176 flat angles P-C4'-P energy: -57.233 tors. eta vs tors. theta energy: 13.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -424.064759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.064759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.064759 (E_RNA) where: Base-Base interactions energy: -141.197 where: short stacking energy: -108.668 Base-Backbone interact. energy: -0.422 local terms energy: -282.446214 where: bonds (distance) C4'-P energy: -88.090 bonds (distance) P-C4' energy: -88.182 flat angles C4'-P-C4' energy: -87.631 flat angles P-C4'-P energy: -45.695 tors. eta vs tors. theta energy: 27.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1823.177318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.177318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.177318 (E_RNA) where: Base-Base interactions energy: -1239.826 where: short stacking energy: -535.162 Base-Backbone interact. energy: -1.058 local terms energy: -582.293519 where: bonds (distance) C4'-P energy: -103.438 bonds (distance) P-C4' energy: -116.325 flat angles C4'-P-C4' energy: -120.714 flat angles P-C4'-P energy: -83.807 tors. eta vs tors. theta energy: -158.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1664.279824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.279824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.279824 (E_RNA) where: Base-Base interactions energy: -1134.417 where: short stacking energy: -448.558 Base-Backbone interact. energy: -2.288 local terms energy: -527.575116 where: bonds (distance) C4'-P energy: -108.771 bonds (distance) P-C4' energy: -112.842 flat angles C4'-P-C4' energy: -122.028 flat angles P-C4'-P energy: -62.910 tors. eta vs tors. theta energy: -121.024 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: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1562.361498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.361498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.361498 (E_RNA) where: Base-Base interactions energy: -1035.142 where: short stacking energy: -451.956 Base-Backbone interact. energy: 0.835 local terms energy: -528.054537 where: bonds (distance) C4'-P energy: -123.528 bonds (distance) P-C4' energy: -103.587 flat angles C4'-P-C4' energy: -110.011 flat angles P-C4'-P energy: -63.847 tors. eta vs tors. theta energy: -127.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1468.188800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.188800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.188800 (E_RNA) where: Base-Base interactions energy: -971.102 where: short stacking energy: -396.487 Base-Backbone interact. energy: -1.232 local terms energy: -495.854314 where: bonds (distance) C4'-P energy: -107.484 bonds (distance) P-C4' energy: -112.468 flat angles C4'-P-C4' energy: -96.602 flat angles P-C4'-P energy: -76.878 tors. eta vs tors. theta energy: -102.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1292.326910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.326910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.326910 (E_RNA) where: Base-Base interactions energy: -815.697 where: short stacking energy: -388.190 Base-Backbone interact. energy: 2.726 local terms energy: -479.356306 where: bonds (distance) C4'-P energy: -79.321 bonds (distance) P-C4' energy: -109.392 flat angles C4'-P-C4' energy: -106.614 flat angles P-C4'-P energy: -75.858 tors. eta vs tors. theta energy: -108.172 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: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1108.163447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.163447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.163447 (E_RNA) where: Base-Base interactions energy: -654.589 where: short stacking energy: -321.139 Base-Backbone interact. energy: -2.022 local terms energy: -451.552249 where: bonds (distance) C4'-P energy: -97.469 bonds (distance) P-C4' energy: -109.699 flat angles C4'-P-C4' energy: -105.660 flat angles P-C4'-P energy: -56.495 tors. eta vs tors. theta energy: -82.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -767.199434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.199434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.199434 (E_RNA) where: Base-Base interactions energy: -433.994 where: short stacking energy: -246.687 Base-Backbone interact. energy: -1.673 local terms energy: -331.532566 where: bonds (distance) C4'-P energy: -74.642 bonds (distance) P-C4' energy: -89.826 flat angles C4'-P-C4' energy: -78.044 flat angles P-C4'-P energy: -59.495 tors. eta vs tors. theta energy: -29.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -616.893970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.893970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.893970 (E_RNA) where: Base-Base interactions energy: -266.219 where: short stacking energy: -170.230 Base-Backbone interact. energy: -2.157 local terms energy: -348.517743 where: bonds (distance) C4'-P energy: -83.549 bonds (distance) P-C4' energy: -108.017 flat angles C4'-P-C4' energy: -91.830 flat angles P-C4'-P energy: -56.884 tors. eta vs tors. theta energy: -8.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -474.662952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.662952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.662952 (E_RNA) where: Base-Base interactions energy: -172.909 where: short stacking energy: -132.388 Base-Backbone interact. energy: -0.578 local terms energy: -301.176719 where: bonds (distance) C4'-P energy: -90.963 bonds (distance) P-C4' energy: -100.004 flat angles C4'-P-C4' energy: -89.656 flat angles P-C4'-P energy: -46.563 tors. eta vs tors. theta energy: 26.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -431.550488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.550488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.550488 (E_RNA) where: Base-Base interactions energy: -129.212 where: short stacking energy: -105.634 Base-Backbone interact. energy: 0.672 local terms energy: -303.009722 where: bonds (distance) C4'-P energy: -84.809 bonds (distance) P-C4' energy: -101.947 flat angles C4'-P-C4' energy: -94.352 flat angles P-C4'-P energy: -57.842 tors. eta vs tors. theta energy: 35.940 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: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1809.893911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.893911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.893911 (E_RNA) where: Base-Base interactions energy: -1193.791 where: short stacking energy: -534.187 Base-Backbone interact. energy: -1.282 local terms energy: -614.820748 where: bonds (distance) C4'-P energy: -110.100 bonds (distance) P-C4' energy: -119.530 flat angles C4'-P-C4' energy: -128.495 flat angles P-C4'-P energy: -89.115 tors. eta vs tors. theta energy: -167.581 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: 2 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1671.786989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.786989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.786989 (E_RNA) where: Base-Base interactions energy: -1128.864 where: short stacking energy: -460.059 Base-Backbone interact. energy: -6.043 local terms energy: -536.880598 where: bonds (distance) C4'-P energy: -105.516 bonds (distance) P-C4' energy: -109.549 flat angles C4'-P-C4' energy: -115.480 flat angles P-C4'-P energy: -79.660 tors. eta vs tors. theta energy: -126.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1569.665874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.665874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.665874 (E_RNA) where: Base-Base interactions energy: -1019.575 where: short stacking energy: -439.051 Base-Backbone interact. energy: -4.136 local terms energy: -545.954743 where: bonds (distance) C4'-P energy: -99.508 bonds (distance) P-C4' energy: -118.191 flat angles C4'-P-C4' energy: -122.116 flat angles P-C4'-P energy: -75.633 tors. eta vs tors. theta energy: -130.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1488.988846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.988846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.988846 (E_RNA) where: Base-Base interactions energy: -979.006 where: short stacking energy: -454.068 Base-Backbone interact. energy: -1.453 local terms energy: -508.530307 where: bonds (distance) C4'-P energy: -97.394 bonds (distance) P-C4' energy: -110.406 flat angles C4'-P-C4' energy: -124.351 flat angles P-C4'-P energy: -60.680 tors. eta vs tors. theta energy: -115.700 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: 5 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1304.019576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.019576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.019576 (E_RNA) where: Base-Base interactions energy: -835.032 where: short stacking energy: -388.706 Base-Backbone interact. energy: -0.928 local terms energy: -468.060131 where: bonds (distance) C4'-P energy: -99.322 bonds (distance) P-C4' energy: -86.656 flat angles C4'-P-C4' energy: -110.759 flat angles P-C4'-P energy: -62.042 tors. eta vs tors. theta energy: -109.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1093.639473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.639473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.639473 (E_RNA) where: Base-Base interactions energy: -656.120 where: short stacking energy: -323.292 Base-Backbone interact. energy: 1.493 local terms energy: -439.012833 where: bonds (distance) C4'-P energy: -84.499 bonds (distance) P-C4' energy: -114.458 flat angles C4'-P-C4' energy: -103.591 flat angles P-C4'-P energy: -69.816 tors. eta vs tors. theta energy: -66.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -820.470849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.470849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.470849 (E_RNA) where: Base-Base interactions energy: -436.673 where: short stacking energy: -229.061 Base-Backbone interact. energy: -0.483 local terms energy: -383.315513 where: bonds (distance) C4'-P energy: -93.473 bonds (distance) P-C4' energy: -104.507 flat angles C4'-P-C4' energy: -105.194 flat angles P-C4'-P energy: -48.713 tors. eta vs tors. theta energy: -31.428 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: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -609.543961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.543961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.543961 (E_RNA) where: Base-Base interactions energy: -300.747 where: short stacking energy: -183.214 Base-Backbone interact. energy: -2.050 local terms energy: -306.746557 where: bonds (distance) C4'-P energy: -69.070 bonds (distance) P-C4' energy: -99.338 flat angles C4'-P-C4' energy: -86.683 flat angles P-C4'-P energy: -42.997 tors. eta vs tors. theta energy: -8.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -445.773183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.773183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.773183 (E_RNA) where: Base-Base interactions energy: -147.333 where: short stacking energy: -126.230 Base-Backbone interact. energy: 0.461 local terms energy: -298.900495 where: bonds (distance) C4'-P energy: -96.011 bonds (distance) P-C4' energy: -95.197 flat angles C4'-P-C4' energy: -76.753 flat angles P-C4'-P energy: -46.762 tors. eta vs tors. theta energy: 15.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -417.350900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.350900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.350900 (E_RNA) where: Base-Base interactions energy: -163.446 where: short stacking energy: -130.632 Base-Backbone interact. energy: 7.659 local terms energy: -261.563544 where: bonds (distance) C4'-P energy: -99.352 bonds (distance) P-C4' energy: -99.844 flat angles C4'-P-C4' energy: -60.408 flat angles P-C4'-P energy: -31.413 tors. eta vs tors. theta energy: 29.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1816.501443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.501443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.501443 (E_RNA) where: Base-Base interactions energy: -1243.218 where: short stacking energy: -538.876 Base-Backbone interact. energy: -1.867 local terms energy: -571.415868 where: bonds (distance) C4'-P energy: -100.368 bonds (distance) P-C4' energy: -104.641 flat angles C4'-P-C4' energy: -117.488 flat angles P-C4'-P energy: -80.211 tors. eta vs tors. theta energy: -168.708 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: 2 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1673.270727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.270727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.270727 (E_RNA) where: Base-Base interactions energy: -1137.467 where: short stacking energy: -469.499 Base-Backbone interact. energy: 1.153 local terms energy: -536.956690 where: bonds (distance) C4'-P energy: -105.305 bonds (distance) P-C4' energy: -111.872 flat angles C4'-P-C4' energy: -116.215 flat angles P-C4'-P energy: -76.558 tors. eta vs tors. theta energy: -127.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1570.974804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.974804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.974804 (E_RNA) where: Base-Base interactions energy: -1051.015 where: short stacking energy: -458.824 Base-Backbone interact. energy: -1.246 local terms energy: -518.713858 where: bonds (distance) C4'-P energy: -97.076 bonds (distance) P-C4' energy: -102.610 flat angles C4'-P-C4' energy: -117.998 flat angles P-C4'-P energy: -75.465 tors. eta vs tors. theta energy: -125.565 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: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1483.995217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.995217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.995217 (E_RNA) where: Base-Base interactions energy: -967.029 where: short stacking energy: -425.995 Base-Backbone interact. energy: 1.780 local terms energy: -518.746257 where: bonds (distance) C4'-P energy: -107.495 bonds (distance) P-C4' energy: -123.070 flat angles C4'-P-C4' energy: -102.240 flat angles P-C4'-P energy: -74.987 tors. eta vs tors. theta energy: -110.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1328.543141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.543141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.543141 (E_RNA) where: Base-Base interactions energy: -850.152 where: short stacking energy: -379.010 Base-Backbone interact. energy: 1.032 local terms energy: -479.422975 where: bonds (distance) C4'-P energy: -102.012 bonds (distance) P-C4' energy: -109.379 flat angles C4'-P-C4' energy: -91.555 flat angles P-C4'-P energy: -67.852 tors. eta vs tors. theta energy: -108.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1093.855067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.855067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.855067 (E_RNA) where: Base-Base interactions energy: -682.701 where: short stacking energy: -313.383 Base-Backbone interact. energy: -0.006 local terms energy: -411.147288 where: bonds (distance) C4'-P energy: -105.330 bonds (distance) P-C4' energy: -95.673 flat angles C4'-P-C4' energy: -90.795 flat angles P-C4'-P energy: -52.898 tors. eta vs tors. theta energy: -66.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -748.371437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.371437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.371437 (E_RNA) where: Base-Base interactions energy: -386.266 where: short stacking energy: -214.927 Base-Backbone interact. energy: 0.613 local terms energy: -362.718543 where: bonds (distance) C4'-P energy: -102.603 bonds (distance) P-C4' energy: -114.367 flat angles C4'-P-C4' energy: -75.463 flat angles P-C4'-P energy: -43.361 tors. eta vs tors. theta energy: -26.925 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: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -629.701223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.701223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.701223 (E_RNA) where: Base-Base interactions energy: -302.185 where: short stacking energy: -178.823 Base-Backbone interact. energy: -1.614 local terms energy: -325.902677 where: bonds (distance) C4'-P energy: -91.345 bonds (distance) P-C4' energy: -90.543 flat angles C4'-P-C4' energy: -97.090 flat angles P-C4'-P energy: -49.077 tors. eta vs tors. theta energy: 2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -467.812081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.812081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.812081 (E_RNA) where: Base-Base interactions energy: -182.285 where: short stacking energy: -143.185 Base-Backbone interact. energy: 1.078 local terms energy: -286.604681 where: bonds (distance) C4'-P energy: -78.020 bonds (distance) P-C4' energy: -97.800 flat angles C4'-P-C4' energy: -73.108 flat angles P-C4'-P energy: -50.829 tors. eta vs tors. theta energy: 13.153 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: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -421.477644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.477644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.477644 (E_RNA) where: Base-Base interactions energy: -144.618 where: short stacking energy: -105.223 Base-Backbone interact. energy: -2.168 local terms energy: -274.691684 where: bonds (distance) C4'-P energy: -90.379 bonds (distance) P-C4' energy: -90.905 flat angles C4'-P-C4' energy: -72.437 flat angles P-C4'-P energy: -43.755 tors. eta vs tors. theta energy: 22.785 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: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1801.567887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.567887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.567887 (E_RNA) where: Base-Base interactions energy: -1231.891 where: short stacking energy: -551.158 Base-Backbone interact. energy: -3.294 local terms energy: -566.382974 where: bonds (distance) C4'-P energy: -111.576 bonds (distance) P-C4' energy: -102.449 flat angles C4'-P-C4' energy: -119.620 flat angles P-C4'-P energy: -75.778 tors. eta vs tors. theta energy: -156.959 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: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1692.306554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.306554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.306554 (E_RNA) where: Base-Base interactions energy: -1158.003 where: short stacking energy: -484.202 Base-Backbone interact. energy: -1.821 local terms energy: -532.482780 where: bonds (distance) C4'-P energy: -103.533 bonds (distance) P-C4' energy: -114.844 flat angles C4'-P-C4' energy: -122.973 flat angles P-C4'-P energy: -67.855 tors. eta vs tors. theta energy: -123.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1606.129226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.129226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.129226 (E_RNA) where: Base-Base interactions energy: -1056.105 where: short stacking energy: -470.910 Base-Backbone interact. energy: -3.051 local terms energy: -546.973695 where: bonds (distance) C4'-P energy: -99.039 bonds (distance) P-C4' energy: -110.398 flat angles C4'-P-C4' energy: -119.482 flat angles P-C4'-P energy: -79.167 tors. eta vs tors. theta energy: -138.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1449.176932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.176932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.176932 (E_RNA) where: Base-Base interactions energy: -981.003 where: short stacking energy: -420.401 Base-Backbone interact. energy: -2.482 local terms energy: -465.691403 where: bonds (distance) C4'-P energy: -87.437 bonds (distance) P-C4' energy: -89.655 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -71.278 tors. eta vs tors. theta energy: -103.609 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: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1385.979799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.979799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.979799 (E_RNA) where: Base-Base interactions energy: -872.247 where: short stacking energy: -390.633 Base-Backbone interact. energy: -2.697 local terms energy: -511.035873 where: bonds (distance) C4'-P energy: -102.486 bonds (distance) P-C4' energy: -108.448 flat angles C4'-P-C4' energy: -122.453 flat angles P-C4'-P energy: -59.036 tors. eta vs tors. theta energy: -118.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1141.253364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.253364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.253364 (E_RNA) where: Base-Base interactions energy: -686.516 where: short stacking energy: -292.863 Base-Backbone interact. energy: 3.979 local terms energy: -458.716512 where: bonds (distance) C4'-P energy: -114.332 bonds (distance) P-C4' energy: -110.151 flat angles C4'-P-C4' energy: -104.840 flat angles P-C4'-P energy: -58.480 tors. eta vs tors. theta energy: -70.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -719.313406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.313406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.313406 (E_RNA) where: Base-Base interactions energy: -337.135 where: short stacking energy: -190.802 Base-Backbone interact. energy: -1.650 local terms energy: -380.528952 where: bonds (distance) C4'-P energy: -104.924 bonds (distance) P-C4' energy: -108.754 flat angles C4'-P-C4' energy: -82.380 flat angles P-C4'-P energy: -59.328 tors. eta vs tors. theta energy: -25.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -578.946557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.946557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.946557 (E_RNA) where: Base-Base interactions energy: -243.786 where: short stacking energy: -169.523 Base-Backbone interact. energy: 0.608 local terms energy: -335.768750 where: bonds (distance) C4'-P energy: -88.990 bonds (distance) P-C4' energy: -106.050 flat angles C4'-P-C4' energy: -81.546 flat angles P-C4'-P energy: -55.231 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: 9, replica: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -504.322243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.322243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.322243 (E_RNA) where: Base-Base interactions energy: -209.392 where: short stacking energy: -152.847 Base-Backbone interact. energy: 1.130 local terms energy: -296.060409 where: bonds (distance) C4'-P energy: -88.369 bonds (distance) P-C4' energy: -100.392 flat angles C4'-P-C4' energy: -77.088 flat angles P-C4'-P energy: -52.159 tors. eta vs tors. theta energy: 21.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -485.929670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.929670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.929670 (E_RNA) where: Base-Base interactions energy: -157.890 where: short stacking energy: -121.755 Base-Backbone interact. energy: 5.708 local terms energy: -333.748256 where: bonds (distance) C4'-P energy: -92.141 bonds (distance) P-C4' energy: -121.209 flat angles C4'-P-C4' energy: -85.817 flat angles P-C4'-P energy: -42.288 tors. eta vs tors. theta energy: 7.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1811.083134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.083134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.083134 (E_RNA) where: Base-Base interactions energy: -1223.223 where: short stacking energy: -546.255 Base-Backbone interact. energy: -3.532 local terms energy: -584.327858 where: bonds (distance) C4'-P energy: -103.609 bonds (distance) P-C4' energy: -110.863 flat angles C4'-P-C4' energy: -124.980 flat angles P-C4'-P energy: -82.224 tors. eta vs tors. theta energy: -162.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1705.654013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.654013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.654013 (E_RNA) where: Base-Base interactions energy: -1171.115 where: short stacking energy: -486.302 Base-Backbone interact. energy: -2.586 local terms energy: -531.953372 where: bonds (distance) C4'-P energy: -114.327 bonds (distance) P-C4' energy: -97.775 flat angles C4'-P-C4' energy: -121.294 flat angles P-C4'-P energy: -64.974 tors. eta vs tors. theta energy: -133.585 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: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1606.680410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.680410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.680410 (E_RNA) where: Base-Base interactions energy: -1049.543 where: short stacking energy: -481.466 Base-Backbone interact. energy: -1.813 local terms energy: -555.324166 where: bonds (distance) C4'-P energy: -105.568 bonds (distance) P-C4' energy: -108.117 flat angles C4'-P-C4' energy: -127.339 flat angles P-C4'-P energy: -71.474 tors. eta vs tors. theta energy: -142.826 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: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1464.268675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.268675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.268675 (E_RNA) where: Base-Base interactions energy: -957.513 where: short stacking energy: -423.104 Base-Backbone interact. energy: -2.765 local terms energy: -503.990309 where: bonds (distance) C4'-P energy: -114.698 bonds (distance) P-C4' energy: -103.561 flat angles C4'-P-C4' energy: -108.617 flat angles P-C4'-P energy: -67.741 tors. eta vs tors. theta energy: -109.373 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: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1385.636748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.636748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.636748 (E_RNA) where: Base-Base interactions energy: -899.409 where: short stacking energy: -408.427 Base-Backbone interact. energy: 1.753 local terms energy: -487.980103 where: bonds (distance) C4'-P energy: -92.816 bonds (distance) P-C4' energy: -97.613 flat angles C4'-P-C4' energy: -115.439 flat angles P-C4'-P energy: -68.023 tors. eta vs tors. theta energy: -114.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1175.559491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.559491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.559491 (E_RNA) where: Base-Base interactions energy: -714.891 where: short stacking energy: -353.152 Base-Backbone interact. energy: 0.512 local terms energy: -461.180013 where: bonds (distance) C4'-P energy: -100.039 bonds (distance) P-C4' energy: -101.072 flat angles C4'-P-C4' energy: -104.494 flat angles P-C4'-P energy: -68.789 tors. eta vs tors. theta energy: -86.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -667.222285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.222285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.222285 (E_RNA) where: Base-Base interactions energy: -290.794 where: short stacking energy: -195.972 Base-Backbone interact. energy: -2.168 local terms energy: -374.261151 where: bonds (distance) C4'-P energy: -97.914 bonds (distance) P-C4' energy: -99.793 flat angles C4'-P-C4' energy: -101.088 flat angles P-C4'-P energy: -62.735 tors. eta vs tors. theta energy: -12.731 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: 10 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -649.764555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.764555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.764555 (E_RNA) where: Base-Base interactions energy: -310.749 where: short stacking energy: -166.856 Base-Backbone interact. energy: 4.316 local terms energy: -343.330903 where: bonds (distance) C4'-P energy: -100.805 bonds (distance) P-C4' energy: -89.688 flat angles C4'-P-C4' energy: -95.062 flat angles P-C4'-P energy: -45.886 tors. eta vs tors. theta energy: -11.890 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: 82 Temperature: 1.300000 Total energy: -530.219273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.219273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.219273 (E_RNA) where: Base-Base interactions energy: -222.505 where: short stacking energy: -142.431 Base-Backbone interact. energy: -4.671 local terms energy: -303.043340 where: bonds (distance) C4'-P energy: -85.170 bonds (distance) P-C4' energy: -97.731 flat angles C4'-P-C4' energy: -86.424 flat angles P-C4'-P energy: -46.338 tors. eta vs tors. theta energy: 12.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -437.992125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.992125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.992125 (E_RNA) where: Base-Base interactions energy: -154.869 where: short stacking energy: -102.736 Base-Backbone interact. energy: -3.837 local terms energy: -279.285979 where: bonds (distance) C4'-P energy: -87.874 bonds (distance) P-C4' energy: -88.708 flat angles C4'-P-C4' energy: -75.557 flat angles P-C4'-P energy: -53.124 tors. eta vs tors. theta energy: 25.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1829.990730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.990730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.990730 (E_RNA) where: Base-Base interactions energy: -1210.261 where: short stacking energy: -569.694 Base-Backbone interact. energy: -3.169 local terms energy: -616.560196 where: bonds (distance) C4'-P energy: -109.183 bonds (distance) P-C4' energy: -113.073 flat angles C4'-P-C4' energy: -130.998 flat angles P-C4'-P energy: -83.215 tors. eta vs tors. theta energy: -180.090 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: 2, replica: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1728.490166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.490166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.490166 (E_RNA) where: Base-Base interactions energy: -1210.403 where: short stacking energy: -511.098 Base-Backbone interact. energy: -4.176 local terms energy: -513.910726 where: bonds (distance) C4'-P energy: -106.710 bonds (distance) P-C4' energy: -92.446 flat angles C4'-P-C4' energy: -126.257 flat angles P-C4'-P energy: -70.288 tors. eta vs tors. theta energy: -118.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1669.060516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.060516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.060516 (E_RNA) where: Base-Base interactions energy: -1099.684 where: short stacking energy: -470.663 Base-Backbone interact. energy: 1.540 local terms energy: -570.916706 where: bonds (distance) C4'-P energy: -119.189 bonds (distance) P-C4' energy: -121.174 flat angles C4'-P-C4' energy: -113.879 flat angles P-C4'-P energy: -73.748 tors. eta vs tors. theta energy: -142.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1466.585529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.585529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.585529 (E_RNA) where: Base-Base interactions energy: -961.880 where: short stacking energy: -422.003 Base-Backbone interact. energy: -0.470 local terms energy: -504.234855 where: bonds (distance) C4'-P energy: -96.578 bonds (distance) P-C4' energy: -95.701 flat angles C4'-P-C4' energy: -101.128 flat angles P-C4'-P energy: -77.279 tors. eta vs tors. theta energy: -133.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1406.628049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.628049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.628049 (E_RNA) where: Base-Base interactions energy: -896.960 where: short stacking energy: -412.447 Base-Backbone interact. energy: -3.612 local terms energy: -506.055844 where: bonds (distance) C4'-P energy: -102.329 bonds (distance) P-C4' energy: -100.624 flat angles C4'-P-C4' energy: -118.162 flat angles P-C4'-P energy: -61.175 tors. eta vs tors. theta energy: -123.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1088.079408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.079408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.079408 (E_RNA) where: Base-Base interactions energy: -683.456 where: short stacking energy: -332.033 Base-Backbone interact. energy: -0.307 local terms energy: -404.316170 where: bonds (distance) C4'-P energy: -88.859 bonds (distance) P-C4' energy: -105.157 flat angles C4'-P-C4' energy: -93.077 flat angles P-C4'-P energy: -53.132 tors. eta vs tors. theta energy: -64.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -764.831257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.831257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.831257 (E_RNA) where: Base-Base interactions energy: -399.280 where: short stacking energy: -211.022 Base-Backbone interact. energy: 0.941 local terms energy: -366.492645 where: bonds (distance) C4'-P energy: -96.872 bonds (distance) P-C4' energy: -95.453 flat angles C4'-P-C4' energy: -74.136 flat angles P-C4'-P energy: -71.232 tors. eta vs tors. theta energy: -28.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -618.836290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.836290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.836290 (E_RNA) where: Base-Base interactions energy: -275.027 where: short stacking energy: -168.966 Base-Backbone interact. energy: -0.711 local terms energy: -343.099055 where: bonds (distance) C4'-P energy: -93.894 bonds (distance) P-C4' energy: -107.929 flat angles C4'-P-C4' energy: -99.893 flat angles P-C4'-P energy: -37.427 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -561.569155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.569155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.569155 (E_RNA) where: Base-Base interactions energy: -268.839 where: short stacking energy: -166.355 Base-Backbone interact. energy: -3.092 local terms energy: -289.638196 where: bonds (distance) C4'-P energy: -78.568 bonds (distance) P-C4' energy: -85.080 flat angles C4'-P-C4' energy: -85.798 flat angles P-C4'-P energy: -51.135 tors. eta vs tors. theta energy: 10.942 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: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -408.512909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.512909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.512909 (E_RNA) where: Base-Base interactions energy: -82.967 where: short stacking energy: -71.962 Base-Backbone interact. energy: 3.841 local terms energy: -329.387393 where: bonds (distance) C4'-P energy: -109.552 bonds (distance) P-C4' energy: -108.917 flat angles C4'-P-C4' energy: -59.703 flat angles P-C4'-P energy: -69.114 tors. eta vs tors. theta energy: 17.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1822.401693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.401693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.401693 (E_RNA) where: Base-Base interactions energy: -1217.417 where: short stacking energy: -546.853 Base-Backbone interact. energy: -2.868 local terms energy: -602.116751 where: bonds (distance) C4'-P energy: -117.219 bonds (distance) P-C4' energy: -116.139 flat angles C4'-P-C4' energy: -125.534 flat angles P-C4'-P energy: -83.168 tors. eta vs tors. theta energy: -160.056 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: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1684.802201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.802201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.802201 (E_RNA) where: Base-Base interactions energy: -1135.865 where: short stacking energy: -455.916 Base-Backbone interact. energy: -1.641 local terms energy: -547.296112 where: bonds (distance) C4'-P energy: -113.075 bonds (distance) P-C4' energy: -116.890 flat angles C4'-P-C4' energy: -120.999 flat angles P-C4'-P energy: -73.636 tors. eta vs tors. theta energy: -122.697 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: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1615.448611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.448611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.448611 (E_RNA) where: Base-Base interactions energy: -1085.456 where: short stacking energy: -481.011 Base-Backbone interact. energy: -4.242 local terms energy: -525.751296 where: bonds (distance) C4'-P energy: -96.641 bonds (distance) P-C4' energy: -101.312 flat angles C4'-P-C4' energy: -112.095 flat angles P-C4'-P energy: -63.405 tors. eta vs tors. theta energy: -152.299 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: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1458.404332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.404332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.404332 (E_RNA) where: Base-Base interactions energy: -968.304 where: short stacking energy: -447.029 Base-Backbone interact. energy: 0.667 local terms energy: -490.767409 where: bonds (distance) C4'-P energy: -103.439 bonds (distance) P-C4' energy: -100.807 flat angles C4'-P-C4' energy: -106.525 flat angles P-C4'-P energy: -63.778 tors. eta vs tors. theta energy: -116.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1408.100938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.100938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.100938 (E_RNA) where: Base-Base interactions energy: -945.923 where: short stacking energy: -394.697 Base-Backbone interact. energy: -0.352 local terms energy: -461.825420 where: bonds (distance) C4'-P energy: -107.303 bonds (distance) P-C4' energy: -106.353 flat angles C4'-P-C4' energy: -96.340 flat angles P-C4'-P energy: -49.395 tors. eta vs tors. theta energy: -102.435 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: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1179.814392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.814392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.814392 (E_RNA) where: Base-Base interactions energy: -758.022 where: short stacking energy: -372.207 Base-Backbone interact. energy: 2.714 local terms energy: -424.506772 where: bonds (distance) C4'-P energy: -87.221 bonds (distance) P-C4' energy: -95.227 flat angles C4'-P-C4' energy: -89.906 flat angles P-C4'-P energy: -59.230 tors. eta vs tors. theta energy: -92.923 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: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -764.882369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.882369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.882369 (E_RNA) where: Base-Base interactions energy: -400.176 where: short stacking energy: -255.023 Base-Backbone interact. energy: 4.956 local terms energy: -369.662566 where: bonds (distance) C4'-P energy: -92.268 bonds (distance) P-C4' energy: -95.448 flat angles C4'-P-C4' energy: -97.625 flat angles P-C4'-P energy: -60.415 tors. eta vs tors. theta energy: -23.907 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: 84 Temperature: 1.250000 Total energy: -602.687113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.687113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.687113 (E_RNA) where: Base-Base interactions energy: -304.193 where: short stacking energy: -183.911 Base-Backbone interact. energy: 1.228 local terms energy: -299.721817 where: bonds (distance) C4'-P energy: -90.119 bonds (distance) P-C4' energy: -78.831 flat angles C4'-P-C4' energy: -97.883 flat angles P-C4'-P energy: -30.391 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -474.594294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.594294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.594294 (E_RNA) where: Base-Base interactions energy: -177.031 where: short stacking energy: -163.491 Base-Backbone interact. energy: 1.044 local terms energy: -298.607449 where: bonds (distance) C4'-P energy: -83.838 bonds (distance) P-C4' energy: -84.829 flat angles C4'-P-C4' energy: -74.274 flat angles P-C4'-P energy: -59.354 tors. eta vs tors. theta energy: 3.688 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: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -487.673844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.673844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.673844 (E_RNA) where: Base-Base interactions energy: -220.644 where: short stacking energy: -150.393 Base-Backbone interact. energy: 4.328 local terms energy: -271.357373 where: bonds (distance) C4'-P energy: -88.767 bonds (distance) P-C4' energy: -91.112 flat angles C4'-P-C4' energy: -74.929 flat angles P-C4'-P energy: -32.527 tors. eta vs tors. theta energy: 15.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1827.473319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.473319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.473319 (E_RNA) where: Base-Base interactions energy: -1234.922 where: short stacking energy: -546.973 Base-Backbone interact. energy: -2.434 local terms energy: -590.117358 where: bonds (distance) C4'-P energy: -109.342 bonds (distance) P-C4' energy: -108.886 flat angles C4'-P-C4' energy: -119.554 flat angles P-C4'-P energy: -85.561 tors. eta vs tors. theta energy: -166.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1700.994000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.994000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.994000 (E_RNA) where: Base-Base interactions energy: -1135.728 where: short stacking energy: -520.480 Base-Backbone interact. energy: -5.400 local terms energy: -559.866390 where: bonds (distance) C4'-P energy: -106.094 bonds (distance) P-C4' energy: -96.359 flat angles C4'-P-C4' energy: -122.879 flat angles P-C4'-P energy: -85.949 tors. eta vs tors. theta energy: -148.585 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: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1615.150172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.150172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.150172 (E_RNA) where: Base-Base interactions energy: -1074.133 where: short stacking energy: -448.369 Base-Backbone interact. energy: -2.885 local terms energy: -538.132310 where: bonds (distance) C4'-P energy: -115.046 bonds (distance) P-C4' energy: -111.666 flat angles C4'-P-C4' energy: -111.286 flat angles P-C4'-P energy: -70.139 tors. eta vs tors. theta energy: -129.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1440.328089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.328089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.328089 (E_RNA) where: Base-Base interactions energy: -964.321 where: short stacking energy: -429.263 Base-Backbone interact. energy: 0.191 local terms energy: -476.198587 where: bonds (distance) C4'-P energy: -101.517 bonds (distance) P-C4' energy: -91.214 flat angles C4'-P-C4' energy: -97.448 flat angles P-C4'-P energy: -75.360 tors. eta vs tors. theta energy: -110.661 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: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1335.070639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.070639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.070639 (E_RNA) where: Base-Base interactions energy: -883.194 where: short stacking energy: -368.667 Base-Backbone interact. energy: 1.856 local terms energy: -453.732461 where: bonds (distance) C4'-P energy: -87.261 bonds (distance) P-C4' energy: -104.249 flat angles C4'-P-C4' energy: -113.440 flat angles P-C4'-P energy: -58.639 tors. eta vs tors. theta energy: -90.143 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: 85 Temperature: 1.150000 Total energy: -1172.716304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.716304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.716304 (E_RNA) where: Base-Base interactions energy: -737.367 where: short stacking energy: -343.222 Base-Backbone interact. energy: 0.463 local terms energy: -435.812135 where: bonds (distance) C4'-P energy: -104.614 bonds (distance) P-C4' energy: -96.032 flat angles C4'-P-C4' energy: -94.907 flat angles P-C4'-P energy: -61.638 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: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -814.558771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.558771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.558771 (E_RNA) where: Base-Base interactions energy: -446.321 where: short stacking energy: -247.543 Base-Backbone interact. energy: 3.978 local terms energy: -372.215838 where: bonds (distance) C4'-P energy: -95.786 bonds (distance) P-C4' energy: -99.863 flat angles C4'-P-C4' energy: -102.727 flat angles P-C4'-P energy: -30.527 tors. eta vs tors. theta energy: -43.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -655.535019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.535019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.535019 (E_RNA) where: Base-Base interactions energy: -312.742 where: short stacking energy: -191.070 Base-Backbone interact. energy: -0.824 local terms energy: -341.969261 where: bonds (distance) C4'-P energy: -94.790 bonds (distance) P-C4' energy: -103.646 flat angles C4'-P-C4' energy: -74.493 flat angles P-C4'-P energy: -52.464 tors. eta vs tors. theta energy: -16.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -443.305268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.305268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.305268 (E_RNA) where: Base-Base interactions energy: -161.373 where: short stacking energy: -144.988 Base-Backbone interact. energy: -0.733 local terms energy: -281.199167 where: bonds (distance) C4'-P energy: -91.224 bonds (distance) P-C4' energy: -85.720 flat angles C4'-P-C4' energy: -88.932 flat angles P-C4'-P energy: -29.578 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: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -472.855036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.855036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.855036 (E_RNA) where: Base-Base interactions energy: -225.197 where: short stacking energy: -127.592 Base-Backbone interact. energy: -0.760 local terms energy: -246.898191 where: bonds (distance) C4'-P energy: -65.530 bonds (distance) P-C4' energy: -74.414 flat angles C4'-P-C4' energy: -79.318 flat angles P-C4'-P energy: -44.521 tors. eta vs tors. theta energy: 16.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1828.719967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.719967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.719967 (E_RNA) where: Base-Base interactions energy: -1218.010 where: short stacking energy: -548.846 Base-Backbone interact. energy: -2.605 local terms energy: -608.104072 where: bonds (distance) C4'-P energy: -104.340 bonds (distance) P-C4' energy: -115.831 flat angles C4'-P-C4' energy: -125.056 flat angles P-C4'-P energy: -83.915 tors. eta vs tors. theta energy: -178.962 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: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1686.851918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.851918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.851918 (E_RNA) where: Base-Base interactions energy: -1140.530 where: short stacking energy: -525.203 Base-Backbone interact. energy: -5.662 local terms energy: -540.660294 where: bonds (distance) C4'-P energy: -91.022 bonds (distance) P-C4' energy: -105.758 flat angles C4'-P-C4' energy: -125.671 flat angles P-C4'-P energy: -68.499 tors. eta vs tors. theta energy: -149.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1615.750501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.750501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.750501 (E_RNA) where: Base-Base interactions energy: -1085.070 where: short stacking energy: -451.577 Base-Backbone interact. energy: -5.871 local terms energy: -524.809996 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -101.089 flat angles C4'-P-C4' energy: -121.241 flat angles P-C4'-P energy: -77.462 tors. eta vs tors. theta energy: -127.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1396.410367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.410367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.410367 (E_RNA) where: Base-Base interactions energy: -886.748 where: short stacking energy: -400.811 Base-Backbone interact. energy: -0.471 local terms energy: -509.190784 where: bonds (distance) C4'-P energy: -108.733 bonds (distance) P-C4' energy: -103.406 flat angles C4'-P-C4' energy: -114.345 flat angles P-C4'-P energy: -66.862 tors. eta vs tors. theta energy: -115.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1370.940775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.940775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.940775 (E_RNA) where: Base-Base interactions energy: -889.358 where: short stacking energy: -397.258 Base-Backbone interact. energy: -0.562 local terms energy: -481.021079 where: bonds (distance) C4'-P energy: -94.741 bonds (distance) P-C4' energy: -102.560 flat angles C4'-P-C4' energy: -113.412 flat angles P-C4'-P energy: -60.158 tors. eta vs tors. theta energy: -110.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1193.108084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.108084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.108084 (E_RNA) where: Base-Base interactions energy: -759.847 where: short stacking energy: -348.562 Base-Backbone interact. energy: 0.973 local terms energy: -434.233527 where: bonds (distance) C4'-P energy: -96.447 bonds (distance) P-C4' energy: -102.165 flat angles C4'-P-C4' energy: -100.391 flat angles P-C4'-P energy: -48.679 tors. eta vs tors. theta energy: -86.551 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: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -726.338527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.338527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.338527 (E_RNA) where: Base-Base interactions energy: -337.069 where: short stacking energy: -224.889 Base-Backbone interact. energy: -1.358 local terms energy: -387.911897 where: bonds (distance) C4'-P energy: -88.362 bonds (distance) P-C4' energy: -105.903 flat angles C4'-P-C4' energy: -83.593 flat angles P-C4'-P energy: -80.052 tors. eta vs tors. theta energy: -30.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -608.151297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.151297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.151297 (E_RNA) where: Base-Base interactions energy: -279.819 where: short stacking energy: -186.745 Base-Backbone interact. energy: -3.088 local terms energy: -325.244442 where: bonds (distance) C4'-P energy: -79.775 bonds (distance) P-C4' energy: -109.319 flat angles C4'-P-C4' energy: -77.029 flat angles P-C4'-P energy: -53.897 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -497.168037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.168037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.168037 (E_RNA) where: Base-Base interactions energy: -168.309 where: short stacking energy: -114.880 Base-Backbone interact. energy: 3.037 local terms energy: -331.895326 where: bonds (distance) C4'-P energy: -97.022 bonds (distance) P-C4' energy: -109.198 flat angles C4'-P-C4' energy: -76.845 flat angles P-C4'-P energy: -70.752 tors. eta vs tors. theta energy: 21.922 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: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -430.282242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.282242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.282242 (E_RNA) where: Base-Base interactions energy: -168.735 where: short stacking energy: -128.438 Base-Backbone interact. energy: 0.001 local terms energy: -261.547540 where: bonds (distance) C4'-P energy: -78.981 bonds (distance) P-C4' energy: -85.615 flat angles C4'-P-C4' energy: -71.916 flat angles P-C4'-P energy: -40.243 tors. eta vs tors. theta energy: 15.208 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: 87 Temperature: 0.900000 Total energy: -1834.440265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.440265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.440265 (E_RNA) where: Base-Base interactions energy: -1220.706 where: short stacking energy: -537.976 Base-Backbone interact. energy: -2.255 local terms energy: -611.480093 where: bonds (distance) C4'-P energy: -108.341 bonds (distance) P-C4' energy: -122.145 flat angles C4'-P-C4' energy: -126.220 flat angles P-C4'-P energy: -85.403 tors. eta vs tors. theta energy: -169.371 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: 87 Temperature: 0.950000 Total energy: -1691.322132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.322132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.322132 (E_RNA) where: Base-Base interactions energy: -1119.365 where: short stacking energy: -522.400 Base-Backbone interact. energy: -1.705 local terms energy: -570.251927 where: bonds (distance) C4'-P energy: -112.341 bonds (distance) P-C4' energy: -105.297 flat angles C4'-P-C4' energy: -122.400 flat angles P-C4'-P energy: -83.082 tors. eta vs tors. theta energy: -147.131 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: 87 Temperature: 1.000000 Total energy: -1602.425225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.425225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.425225 (E_RNA) where: Base-Base interactions energy: -1066.623 where: short stacking energy: -451.050 Base-Backbone interact. energy: -0.187 local terms energy: -535.615282 where: bonds (distance) C4'-P energy: -104.107 bonds (distance) P-C4' energy: -109.167 flat angles C4'-P-C4' energy: -114.565 flat angles P-C4'-P energy: -72.527 tors. eta vs tors. theta energy: -135.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1432.639192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.639192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.639192 (E_RNA) where: Base-Base interactions energy: -921.204 where: short stacking energy: -410.655 Base-Backbone interact. energy: -4.302 local terms energy: -507.132996 where: bonds (distance) C4'-P energy: -93.820 bonds (distance) P-C4' energy: -113.453 flat angles C4'-P-C4' energy: -116.320 flat angles P-C4'-P energy: -72.174 tors. eta vs tors. theta energy: -111.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1369.496709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.496709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.496709 (E_RNA) where: Base-Base interactions energy: -919.556 where: short stacking energy: -373.557 Base-Backbone interact. energy: -4.449 local terms energy: -445.491551 where: bonds (distance) C4'-P energy: -91.991 bonds (distance) P-C4' energy: -100.870 flat angles C4'-P-C4' energy: -97.625 flat angles P-C4'-P energy: -61.003 tors. eta vs tors. theta energy: -94.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1215.583623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.583623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.583623 (E_RNA) where: Base-Base interactions energy: -760.518 where: short stacking energy: -363.892 Base-Backbone interact. energy: -4.385 local terms energy: -450.680378 where: bonds (distance) C4'-P energy: -97.249 bonds (distance) P-C4' energy: -105.636 flat angles C4'-P-C4' energy: -109.382 flat angles P-C4'-P energy: -60.351 tors. eta vs tors. theta energy: -78.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -705.908502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.908502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.908502 (E_RNA) where: Base-Base interactions energy: -372.609 where: short stacking energy: -176.856 Base-Backbone interact. energy: 0.787 local terms energy: -334.086775 where: bonds (distance) C4'-P energy: -90.306 bonds (distance) P-C4' energy: -98.976 flat angles C4'-P-C4' energy: -91.922 flat angles P-C4'-P energy: -58.771 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: 8, replica: 10 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -618.922065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.922065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.922065 (E_RNA) where: Base-Base interactions energy: -281.784 where: short stacking energy: -157.602 Base-Backbone interact. energy: 2.739 local terms energy: -339.876688 where: bonds (distance) C4'-P energy: -78.902 bonds (distance) P-C4' energy: -113.178 flat angles C4'-P-C4' energy: -86.777 flat angles P-C4'-P energy: -55.652 tors. eta vs tors. theta energy: -5.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -462.697663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.697663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.697663 (E_RNA) where: Base-Base interactions energy: -164.609 where: short stacking energy: -121.510 Base-Backbone interact. energy: -1.107 local terms energy: -296.981664 where: bonds (distance) C4'-P energy: -83.959 bonds (distance) P-C4' energy: -91.555 flat angles C4'-P-C4' energy: -89.364 flat angles P-C4'-P energy: -49.168 tors. eta vs tors. theta energy: 17.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -430.049298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.049298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.049298 (E_RNA) where: Base-Base interactions energy: -160.598 where: short stacking energy: -138.683 Base-Backbone interact. energy: 0.252 local terms energy: -269.703127 where: bonds (distance) C4'-P energy: -85.413 bonds (distance) P-C4' energy: -99.725 flat angles C4'-P-C4' energy: -57.295 flat angles P-C4'-P energy: -36.327 tors. eta vs tors. theta energy: 9.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1804.331314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.331314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.331314 (E_RNA) where: Base-Base interactions energy: -1217.976 where: short stacking energy: -532.508 Base-Backbone interact. energy: 1.717 local terms energy: -588.072609 where: bonds (distance) C4'-P energy: -111.011 bonds (distance) P-C4' energy: -112.493 flat angles C4'-P-C4' energy: -130.805 flat angles P-C4'-P energy: -68.210 tors. eta vs tors. theta energy: -165.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1637.777803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.777803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.777803 (E_RNA) where: Base-Base interactions energy: -1070.152 where: short stacking energy: -490.340 Base-Backbone interact. energy: -5.268 local terms energy: -562.357759 where: bonds (distance) C4'-P energy: -112.328 bonds (distance) P-C4' energy: -117.367 flat angles C4'-P-C4' energy: -118.142 flat angles P-C4'-P energy: -70.651 tors. eta vs tors. theta energy: -143.870 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: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1585.557325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.557325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.557325 (E_RNA) where: Base-Base interactions energy: -1057.217 where: short stacking energy: -434.553 Base-Backbone interact. energy: -1.310 local terms energy: -527.030138 where: bonds (distance) C4'-P energy: -111.241 bonds (distance) P-C4' energy: -95.347 flat angles C4'-P-C4' energy: -129.370 flat angles P-C4'-P energy: -67.055 tors. eta vs tors. theta energy: -124.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1442.177061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.177061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.177061 (E_RNA) where: Base-Base interactions energy: -913.693 where: short stacking energy: -413.927 Base-Backbone interact. energy: -1.052 local terms energy: -527.431884 where: bonds (distance) C4'-P energy: -115.556 bonds (distance) P-C4' energy: -124.231 flat angles C4'-P-C4' energy: -108.924 flat angles P-C4'-P energy: -67.372 tors. eta vs tors. theta energy: -111.348 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: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1433.248228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.248228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.248228 (E_RNA) where: Base-Base interactions energy: -952.373 where: short stacking energy: -386.607 Base-Backbone interact. energy: -0.548 local terms energy: -480.327341 where: bonds (distance) C4'-P energy: -97.254 bonds (distance) P-C4' energy: -98.810 flat angles C4'-P-C4' energy: -126.647 flat angles P-C4'-P energy: -55.196 tors. eta vs tors. theta energy: -102.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1177.862084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.862084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.862084 (E_RNA) where: Base-Base interactions energy: -732.785 where: short stacking energy: -336.340 Base-Backbone interact. energy: -1.901 local terms energy: -443.175864 where: bonds (distance) C4'-P energy: -102.412 bonds (distance) P-C4' energy: -95.826 flat angles C4'-P-C4' energy: -106.180 flat angles P-C4'-P energy: -53.516 tors. eta vs tors. theta energy: -85.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -735.777360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.777360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.777360 (E_RNA) where: Base-Base interactions energy: -360.659 where: short stacking energy: -219.738 Base-Backbone interact. energy: 5.756 local terms energy: -380.873965 where: bonds (distance) C4'-P energy: -100.343 bonds (distance) P-C4' energy: -96.811 flat angles C4'-P-C4' energy: -96.190 flat angles P-C4'-P energy: -56.952 tors. eta vs tors. theta energy: -30.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -581.774306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.774306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.774306 (E_RNA) where: Base-Base interactions energy: -250.005 where: short stacking energy: -178.986 Base-Backbone interact. energy: -0.970 local terms energy: -330.799487 where: bonds (distance) C4'-P energy: -92.116 bonds (distance) P-C4' energy: -106.038 flat angles C4'-P-C4' energy: -68.234 flat angles P-C4'-P energy: -47.774 tors. eta vs tors. theta energy: -16.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -474.810782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.810782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.810782 (E_RNA) where: Base-Base interactions energy: -165.650 where: short stacking energy: -134.377 Base-Backbone interact. energy: -0.393 local terms energy: -308.767564 where: bonds (distance) C4'-P energy: -86.157 bonds (distance) P-C4' energy: -107.011 flat angles C4'-P-C4' energy: -72.931 flat angles P-C4'-P energy: -48.012 tors. eta vs tors. theta energy: 5.342 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: 88 Temperature: 1.350000 Total energy: -447.968426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.968426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.968426 (E_RNA) where: Base-Base interactions energy: -154.556 where: short stacking energy: -113.985 Base-Backbone interact. energy: 2.781 local terms energy: -296.193514 where: bonds (distance) C4'-P energy: -99.039 bonds (distance) P-C4' energy: -95.035 flat angles C4'-P-C4' energy: -82.577 flat angles P-C4'-P energy: -44.527 tors. eta vs tors. theta energy: 24.984 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: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1813.139456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.139456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.139456 (E_RNA) where: Base-Base interactions energy: -1219.789 where: short stacking energy: -543.524 Base-Backbone interact. energy: -1.977 local terms energy: -591.373537 where: bonds (distance) C4'-P energy: -110.057 bonds (distance) P-C4' energy: -102.136 flat angles C4'-P-C4' energy: -132.442 flat angles P-C4'-P energy: -88.149 tors. eta vs tors. theta energy: -158.590 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: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1637.458195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.458195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.458195 (E_RNA) where: Base-Base interactions energy: -1114.567 where: short stacking energy: -492.344 Base-Backbone interact. energy: -3.513 local terms energy: -519.377655 where: bonds (distance) C4'-P energy: -95.493 bonds (distance) P-C4' energy: -102.223 flat angles C4'-P-C4' energy: -109.767 flat angles P-C4'-P energy: -70.250 tors. eta vs tors. theta energy: -141.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1615.472920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.472920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.472920 (E_RNA) where: Base-Base interactions energy: -1112.259 where: short stacking energy: -444.691 Base-Backbone interact. energy: -1.806 local terms energy: -501.407975 where: bonds (distance) C4'-P energy: -98.908 bonds (distance) P-C4' energy: -92.628 flat angles C4'-P-C4' energy: -117.110 flat angles P-C4'-P energy: -64.581 tors. eta vs tors. theta energy: -128.182 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: 4, replica: 5 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1483.289094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.289094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.289094 (E_RNA) where: Base-Base interactions energy: -972.555 where: short stacking energy: -449.300 Base-Backbone interact. energy: -3.000 local terms energy: -507.734317 where: bonds (distance) C4'-P energy: -100.751 bonds (distance) P-C4' energy: -105.523 flat angles C4'-P-C4' energy: -103.484 flat angles P-C4'-P energy: -68.870 tors. eta vs tors. theta energy: -129.107 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: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1405.319967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.319967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.319967 (E_RNA) where: Base-Base interactions energy: -929.380 where: short stacking energy: -410.749 Base-Backbone interact. energy: 5.328 local terms energy: -481.267484 where: bonds (distance) C4'-P energy: -100.691 bonds (distance) P-C4' energy: -103.020 flat angles C4'-P-C4' energy: -110.078 flat angles P-C4'-P energy: -60.344 tors. eta vs tors. theta energy: -107.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1090.238158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.238158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.238158 (E_RNA) where: Base-Base interactions energy: -670.772 where: short stacking energy: -322.663 Base-Backbone interact. energy: -2.590 local terms energy: -416.875814 where: bonds (distance) C4'-P energy: -98.234 bonds (distance) P-C4' energy: -106.411 flat angles C4'-P-C4' energy: -90.938 flat angles P-C4'-P energy: -63.266 tors. eta vs tors. theta energy: -58.026 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: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -703.000319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.000319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.000319 (E_RNA) where: Base-Base interactions energy: -348.897 where: short stacking energy: -214.385 Base-Backbone interact. energy: -0.985 local terms energy: -353.118418 where: bonds (distance) C4'-P energy: -89.131 bonds (distance) P-C4' energy: -106.142 flat angles C4'-P-C4' energy: -96.268 flat angles P-C4'-P energy: -47.106 tors. eta vs tors. theta energy: -14.471 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: 89 Temperature: 1.250000 Total energy: -575.736314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.736314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.736314 (E_RNA) where: Base-Base interactions energy: -260.803 where: short stacking energy: -189.292 Base-Backbone interact. energy: -2.103 local terms energy: -312.830389 where: bonds (distance) C4'-P energy: -84.172 bonds (distance) P-C4' energy: -99.650 flat angles C4'-P-C4' energy: -88.950 flat angles P-C4'-P energy: -38.887 tors. eta vs tors. theta energy: -1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -466.484415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.484415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.484415 (E_RNA) where: Base-Base interactions energy: -194.860 where: short stacking energy: -139.137 Base-Backbone interact. energy: -0.454 local terms energy: -271.170269 where: bonds (distance) C4'-P energy: -87.094 bonds (distance) P-C4' energy: -90.263 flat angles C4'-P-C4' energy: -79.396 flat angles P-C4'-P energy: -36.680 tors. eta vs tors. theta energy: 22.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -424.572314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.572314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.572314 (E_RNA) where: Base-Base interactions energy: -119.917 where: short stacking energy: -94.271 Base-Backbone interact. energy: 0.943 local terms energy: -305.598296 where: bonds (distance) C4'-P energy: -78.970 bonds (distance) P-C4' energy: -107.165 flat angles C4'-P-C4' energy: -83.436 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: 26.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1841.809838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.809838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.809838 (E_RNA) where: Base-Base interactions energy: -1243.818 where: short stacking energy: -565.814 Base-Backbone interact. energy: -1.133 local terms energy: -596.859683 where: bonds (distance) C4'-P energy: -106.031 bonds (distance) P-C4' energy: -106.418 flat angles C4'-P-C4' energy: -126.557 flat angles P-C4'-P energy: -85.485 tors. eta vs tors. theta energy: -172.369 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: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1662.723383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.723383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.723383 (E_RNA) where: Base-Base interactions energy: -1103.926 where: short stacking energy: -502.221 Base-Backbone interact. energy: -2.527 local terms energy: -556.271073 where: bonds (distance) C4'-P energy: -107.901 bonds (distance) P-C4' energy: -100.196 flat angles C4'-P-C4' energy: -117.314 flat angles P-C4'-P energy: -81.391 tors. eta vs tors. theta energy: -149.470 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: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1628.895271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.895271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.895271 (E_RNA) where: Base-Base interactions energy: -1103.760 where: short stacking energy: -456.221 Base-Backbone interact. energy: -3.457 local terms energy: -521.678314 where: bonds (distance) C4'-P energy: -111.805 bonds (distance) P-C4' energy: -111.806 flat angles C4'-P-C4' energy: -113.328 flat angles P-C4'-P energy: -63.160 tors. eta vs tors. theta energy: -121.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1442.555106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.555106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.555106 (E_RNA) where: Base-Base interactions energy: -941.300 where: short stacking energy: -417.456 Base-Backbone interact. energy: -2.651 local terms energy: -498.603495 where: bonds (distance) C4'-P energy: -105.247 bonds (distance) P-C4' energy: -120.934 flat angles C4'-P-C4' energy: -104.133 flat angles P-C4'-P energy: -55.970 tors. eta vs tors. theta energy: -112.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1391.009944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.009944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.009944 (E_RNA) where: Base-Base interactions energy: -914.399 where: short stacking energy: -379.577 Base-Backbone interact. energy: 0.722 local terms energy: -477.333259 where: bonds (distance) C4'-P energy: -107.967 bonds (distance) P-C4' energy: -93.793 flat angles C4'-P-C4' energy: -110.587 flat angles P-C4'-P energy: -62.599 tors. eta vs tors. theta energy: -102.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1162.095047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.095047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.095047 (E_RNA) where: Base-Base interactions energy: -750.199 where: short stacking energy: -327.257 Base-Backbone interact. energy: -0.106 local terms energy: -411.790234 where: bonds (distance) C4'-P energy: -88.817 bonds (distance) P-C4' energy: -91.253 flat angles C4'-P-C4' energy: -92.318 flat angles P-C4'-P energy: -69.680 tors. eta vs tors. theta energy: -69.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -621.461153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.461153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.461153 (E_RNA) where: Base-Base interactions energy: -279.208 where: short stacking energy: -189.343 Base-Backbone interact. energy: -1.726 local terms energy: -340.527247 where: bonds (distance) C4'-P energy: -84.489 bonds (distance) P-C4' energy: -91.980 flat angles C4'-P-C4' energy: -105.100 flat angles P-C4'-P energy: -51.189 tors. eta vs tors. theta energy: -7.770 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: 8, replica: 10 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -582.561812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.561812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.561812 (E_RNA) where: Base-Base interactions energy: -268.232 where: short stacking energy: -173.044 Base-Backbone interact. energy: -1.913 local terms energy: -312.417247 where: bonds (distance) C4'-P energy: -87.062 bonds (distance) P-C4' energy: -93.921 flat angles C4'-P-C4' energy: -85.242 flat angles P-C4'-P energy: -39.152 tors. eta vs tors. theta energy: -7.040 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: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -473.323314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.323314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.323314 (E_RNA) where: Base-Base interactions energy: -198.557 where: short stacking energy: -166.099 Base-Backbone interact. energy: 0.512 local terms energy: -275.278355 where: bonds (distance) C4'-P energy: -75.642 bonds (distance) P-C4' energy: -96.667 flat angles C4'-P-C4' energy: -62.262 flat angles P-C4'-P energy: -43.753 tors. eta vs tors. theta energy: 3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -415.397155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.397155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.397155 (E_RNA) where: Base-Base interactions energy: -131.903 where: short stacking energy: -126.336 Base-Backbone interact. energy: 2.405 local terms energy: -285.898719 where: bonds (distance) C4'-P energy: -85.645 bonds (distance) P-C4' energy: -94.488 flat angles C4'-P-C4' energy: -79.205 flat angles P-C4'-P energy: -47.568 tors. eta vs tors. theta energy: 21.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1841.092856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.092856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.092856 (E_RNA) where: Base-Base interactions energy: -1252.220 where: short stacking energy: -543.302 Base-Backbone interact. energy: -1.523 local terms energy: -587.349518 where: bonds (distance) C4'-P energy: -107.280 bonds (distance) P-C4' energy: -104.398 flat angles C4'-P-C4' energy: -126.550 flat angles P-C4'-P energy: -76.239 tors. eta vs tors. theta energy: -172.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1642.954849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.954849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.954849 (E_RNA) where: Base-Base interactions energy: -1108.522 where: short stacking energy: -488.089 Base-Backbone interact. energy: -3.250 local terms energy: -531.182604 where: bonds (distance) C4'-P energy: -99.119 bonds (distance) P-C4' energy: -108.955 flat angles C4'-P-C4' energy: -109.853 flat angles P-C4'-P energy: -68.803 tors. eta vs tors. theta energy: -144.453 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: 3, replica: 2 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1613.271526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.271526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.271526 (E_RNA) where: Base-Base interactions energy: -1086.023 where: short stacking energy: -464.470 Base-Backbone interact. energy: -0.098 local terms energy: -527.150746 where: bonds (distance) C4'-P energy: -103.676 bonds (distance) P-C4' energy: -104.078 flat angles C4'-P-C4' energy: -120.045 flat angles P-C4'-P energy: -66.768 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: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1480.339694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.339694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.339694 (E_RNA) where: Base-Base interactions energy: -972.414 where: short stacking energy: -434.720 Base-Backbone interact. energy: -3.578 local terms energy: -504.347895 where: bonds (distance) C4'-P energy: -104.924 bonds (distance) P-C4' energy: -103.180 flat angles C4'-P-C4' energy: -105.324 flat angles P-C4'-P energy: -61.888 tors. eta vs tors. theta energy: -129.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1359.777919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.777919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.777919 (E_RNA) where: Base-Base interactions energy: -894.007 where: short stacking energy: -384.201 Base-Backbone interact. energy: -3.571 local terms energy: -462.200060 where: bonds (distance) C4'-P energy: -101.377 bonds (distance) P-C4' energy: -95.581 flat angles C4'-P-C4' energy: -96.108 flat angles P-C4'-P energy: -62.259 tors. eta vs tors. theta energy: -106.876 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: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1193.833471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.833471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.833471 (E_RNA) where: Base-Base interactions energy: -763.539 where: short stacking energy: -331.911 Base-Backbone interact. energy: -0.582 local terms energy: -429.712735 where: bonds (distance) C4'-P energy: -98.417 bonds (distance) P-C4' energy: -80.087 flat angles C4'-P-C4' energy: -113.878 flat angles P-C4'-P energy: -59.032 tors. eta vs tors. theta energy: -78.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -599.151389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.151389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.151389 (E_RNA) where: Base-Base interactions energy: -273.535 where: short stacking energy: -183.363 Base-Backbone interact. energy: 6.303 local terms energy: -331.919364 where: bonds (distance) C4'-P energy: -89.191 bonds (distance) P-C4' energy: -101.851 flat angles C4'-P-C4' energy: -74.276 flat angles P-C4'-P energy: -60.783 tors. eta vs tors. theta energy: -5.818 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: 10 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -551.367344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.367344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.367344 (E_RNA) where: Base-Base interactions energy: -226.348 where: short stacking energy: -157.025 Base-Backbone interact. energy: 5.781 local terms energy: -330.800118 where: bonds (distance) C4'-P energy: -86.399 bonds (distance) P-C4' energy: -104.585 flat angles C4'-P-C4' energy: -74.678 flat angles P-C4'-P energy: -55.110 tors. eta vs tors. theta energy: -10.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -491.382183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.382183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.382183 (E_RNA) where: Base-Base interactions energy: -182.383 where: short stacking energy: -110.426 Base-Backbone interact. energy: 1.025 local terms energy: -310.023762 where: bonds (distance) C4'-P energy: -113.018 bonds (distance) P-C4' energy: -87.118 flat angles C4'-P-C4' energy: -81.688 flat angles P-C4'-P energy: -56.182 tors. eta vs tors. theta energy: 27.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -434.370829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.370829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.370829 (E_RNA) where: Base-Base interactions energy: -152.049 where: short stacking energy: -128.911 Base-Backbone interact. energy: 7.384 local terms energy: -289.705578 where: bonds (distance) C4'-P energy: -103.017 bonds (distance) P-C4' energy: -93.212 flat angles C4'-P-C4' energy: -75.869 flat angles P-C4'-P energy: -35.427 tors. eta vs tors. theta energy: 17.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1809.509218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.509218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.509218 (E_RNA) where: Base-Base interactions energy: -1230.054 where: short stacking energy: -541.175 Base-Backbone interact. energy: -2.244 local terms energy: -577.211729 where: bonds (distance) C4'-P energy: -109.915 bonds (distance) P-C4' energy: -96.916 flat angles C4'-P-C4' energy: -124.343 flat angles P-C4'-P energy: -79.633 tors. eta vs tors. theta energy: -166.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1663.747314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.747314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.747314 (E_RNA) where: Base-Base interactions energy: -1078.564 where: short stacking energy: -485.231 Base-Backbone interact. energy: -4.654 local terms energy: -580.529435 where: bonds (distance) C4'-P energy: -111.939 bonds (distance) P-C4' energy: -112.912 flat angles C4'-P-C4' energy: -131.425 flat angles P-C4'-P energy: -81.287 tors. eta vs tors. theta energy: -142.967 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: 3, replica: 2 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1644.156473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.156473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.156473 (E_RNA) where: Base-Base interactions energy: -1119.642 where: short stacking energy: -480.339 Base-Backbone interact. energy: -1.576 local terms energy: -522.938203 where: bonds (distance) C4'-P energy: -100.985 bonds (distance) P-C4' energy: -109.972 flat angles C4'-P-C4' energy: -115.623 flat angles P-C4'-P energy: -61.855 tors. eta vs tors. theta energy: -134.503 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: 4, replica: 5 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1480.937856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.937856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.937856 (E_RNA) where: Base-Base interactions energy: -982.055 where: short stacking energy: -433.089 Base-Backbone interact. energy: -1.263 local terms energy: -497.619251 where: bonds (distance) C4'-P energy: -97.118 bonds (distance) P-C4' energy: -94.717 flat angles C4'-P-C4' energy: -118.371 flat angles P-C4'-P energy: -68.906 tors. eta vs tors. theta energy: -118.507 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: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1339.904380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.904380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.904380 (E_RNA) where: Base-Base interactions energy: -855.394 where: short stacking energy: -369.181 Base-Backbone interact. energy: -3.250 local terms energy: -481.260947 where: bonds (distance) C4'-P energy: -104.751 bonds (distance) P-C4' energy: -105.899 flat angles C4'-P-C4' energy: -108.570 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: -98.728 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: 6 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1199.021104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.021104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.021104 (E_RNA) where: Base-Base interactions energy: -748.768 where: short stacking energy: -323.677 Base-Backbone interact. energy: 0.838 local terms energy: -451.091216 where: bonds (distance) C4'-P energy: -103.108 bonds (distance) P-C4' energy: -103.823 flat angles C4'-P-C4' energy: -110.660 flat angles P-C4'-P energy: -52.870 tors. eta vs tors. theta energy: -80.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -613.508108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.508108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.508108 (E_RNA) where: Base-Base interactions energy: -286.722 where: short stacking energy: -212.023 Base-Backbone interact. energy: 1.066 local terms energy: -327.852375 where: bonds (distance) C4'-P energy: -88.171 bonds (distance) P-C4' energy: -86.189 flat angles C4'-P-C4' energy: -84.527 flat angles P-C4'-P energy: -48.936 tors. eta vs tors. theta energy: -20.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -567.369587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.369587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.369587 (E_RNA) where: Base-Base interactions energy: -254.509 where: short stacking energy: -169.087 Base-Backbone interact. energy: 0.792 local terms energy: -313.652815 where: bonds (distance) C4'-P energy: -94.458 bonds (distance) P-C4' energy: -85.934 flat angles C4'-P-C4' energy: -76.970 flat angles P-C4'-P energy: -50.632 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -453.070926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.070926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.070926 (E_RNA) where: Base-Base interactions energy: -162.837 where: short stacking energy: -125.457 Base-Backbone interact. energy: 3.356 local terms energy: -293.589879 where: bonds (distance) C4'-P energy: -89.714 bonds (distance) P-C4' energy: -96.335 flat angles C4'-P-C4' energy: -77.951 flat angles P-C4'-P energy: -41.758 tors. eta vs tors. theta energy: 12.168 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: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -413.250584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.250584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.250584 (E_RNA) where: Base-Base interactions energy: -157.949 where: short stacking energy: -136.672 Base-Backbone interact. energy: 1.434 local terms energy: -256.735698 where: bonds (distance) C4'-P energy: -85.796 bonds (distance) P-C4' energy: -84.642 flat angles C4'-P-C4' energy: -75.332 flat angles P-C4'-P energy: -44.216 tors. eta vs tors. theta energy: 33.249 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: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1802.595360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.595360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.595360 (E_RNA) where: Base-Base interactions energy: -1213.208 where: short stacking energy: -527.254 Base-Backbone interact. energy: -2.489 local terms energy: -586.898250 where: bonds (distance) C4'-P energy: -110.220 bonds (distance) P-C4' energy: -115.191 flat angles C4'-P-C4' energy: -126.798 flat angles P-C4'-P energy: -78.559 tors. eta vs tors. theta energy: -156.131 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: 2 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1656.244193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.244193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.244193 (E_RNA) where: Base-Base interactions energy: -1111.008 where: short stacking energy: -468.460 Base-Backbone interact. energy: -1.764 local terms energy: -543.472727 where: bonds (distance) C4'-P energy: -106.619 bonds (distance) P-C4' energy: -101.596 flat angles C4'-P-C4' energy: -128.016 flat angles P-C4'-P energy: -76.344 tors. eta vs tors. theta energy: -130.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1612.697557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.697557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.697557 (E_RNA) where: Base-Base interactions energy: -1063.185 where: short stacking energy: -499.104 Base-Backbone interact. energy: -4.836 local terms energy: -544.676943 where: bonds (distance) C4'-P energy: -96.895 bonds (distance) P-C4' energy: -99.548 flat angles C4'-P-C4' energy: -122.674 flat angles P-C4'-P energy: -82.080 tors. eta vs tors. theta energy: -143.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1510.027450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.027450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.027450 (E_RNA) where: Base-Base interactions energy: -982.818 where: short stacking energy: -467.629 Base-Backbone interact. energy: 0.503 local terms energy: -527.712370 where: bonds (distance) C4'-P energy: -110.320 bonds (distance) P-C4' energy: -94.022 flat angles C4'-P-C4' energy: -115.685 flat angles P-C4'-P energy: -74.742 tors. eta vs tors. theta energy: -132.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1327.560704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.560704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.560704 (E_RNA) where: Base-Base interactions energy: -891.985 where: short stacking energy: -367.079 Base-Backbone interact. energy: 1.257 local terms energy: -436.832680 where: bonds (distance) C4'-P energy: -91.229 bonds (distance) P-C4' energy: -100.920 flat angles C4'-P-C4' energy: -93.843 flat angles P-C4'-P energy: -66.691 tors. eta vs tors. theta energy: -84.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1281.121210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.121210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.121210 (E_RNA) where: Base-Base interactions energy: -829.850 where: short stacking energy: -370.336 Base-Backbone interact. energy: 4.794 local terms energy: -456.064954 where: bonds (distance) C4'-P energy: -92.375 bonds (distance) P-C4' energy: -99.054 flat angles C4'-P-C4' energy: -112.336 flat angles P-C4'-P energy: -63.919 tors. eta vs tors. theta energy: -88.382 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: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -653.101887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.101887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.101887 (E_RNA) where: Base-Base interactions energy: -311.191 where: short stacking energy: -210.651 Base-Backbone interact. energy: -4.101 local terms energy: -337.809831 where: bonds (distance) C4'-P energy: -90.920 bonds (distance) P-C4' energy: -93.440 flat angles C4'-P-C4' energy: -93.719 flat angles P-C4'-P energy: -51.953 tors. eta vs tors. theta energy: -7.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -553.401632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.401632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.401632 (E_RNA) where: Base-Base interactions energy: -237.988 where: short stacking energy: -166.858 Base-Backbone interact. energy: 2.266 local terms energy: -317.679589 where: bonds (distance) C4'-P energy: -81.193 bonds (distance) P-C4' energy: -96.489 flat angles C4'-P-C4' energy: -87.837 flat angles P-C4'-P energy: -61.714 tors. eta vs tors. theta energy: 9.552 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: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -456.407073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.407073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.407073 (E_RNA) where: Base-Base interactions energy: -161.478 where: short stacking energy: -129.439 Base-Backbone interact. energy: 7.446 local terms energy: -302.374914 where: bonds (distance) C4'-P energy: -94.491 bonds (distance) P-C4' energy: -92.132 flat angles C4'-P-C4' energy: -85.227 flat angles P-C4'-P energy: -50.724 tors. eta vs tors. theta energy: 20.198 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: 93 Temperature: 1.350000 Total energy: -418.736996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.736996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.736996 (E_RNA) where: Base-Base interactions energy: -149.449 where: short stacking energy: -126.513 Base-Backbone interact. energy: 2.469 local terms energy: -271.756617 where: bonds (distance) C4'-P energy: -96.034 bonds (distance) P-C4' energy: -82.958 flat angles C4'-P-C4' energy: -60.313 flat angles P-C4'-P energy: -44.484 tors. eta vs tors. theta energy: 12.033 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: 7 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1799.554896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.554896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.554896 (E_RNA) where: Base-Base interactions energy: -1193.496 where: short stacking energy: -539.513 Base-Backbone interact. energy: -0.691 local terms energy: -605.367255 where: bonds (distance) C4'-P energy: -106.808 bonds (distance) P-C4' energy: -116.491 flat angles C4'-P-C4' energy: -122.250 flat angles P-C4'-P energy: -89.646 tors. eta vs tors. theta energy: -170.172 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: 2, replica: 2 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1648.788606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.788606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.788606 (E_RNA) where: Base-Base interactions energy: -1094.536 where: short stacking energy: -458.486 Base-Backbone interact. energy: -4.495 local terms energy: -549.758060 where: bonds (distance) C4'-P energy: -117.086 bonds (distance) P-C4' energy: -110.053 flat angles C4'-P-C4' energy: -113.620 flat angles P-C4'-P energy: -80.413 tors. eta vs tors. theta energy: -128.585 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: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1575.492385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.492385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.492385 (E_RNA) where: Base-Base interactions energy: -1070.918 where: short stacking energy: -465.316 Base-Backbone interact. energy: 1.372 local terms energy: -505.946023 where: bonds (distance) C4'-P energy: -95.378 bonds (distance) P-C4' energy: -98.818 flat angles C4'-P-C4' energy: -114.474 flat angles P-C4'-P energy: -69.821 tors. eta vs tors. theta energy: -127.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1451.897431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.897431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.897431 (E_RNA) where: Base-Base interactions energy: -948.375 where: short stacking energy: -397.869 Base-Backbone interact. energy: 1.906 local terms energy: -505.429240 where: bonds (distance) C4'-P energy: -103.934 bonds (distance) P-C4' energy: -108.387 flat angles C4'-P-C4' energy: -119.095 flat angles P-C4'-P energy: -72.565 tors. eta vs tors. theta energy: -101.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1347.646510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.646510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.646510 (E_RNA) where: Base-Base interactions energy: -902.969 where: short stacking energy: -382.166 Base-Backbone interact. energy: 2.062 local terms energy: -446.738701 where: bonds (distance) C4'-P energy: -94.621 bonds (distance) P-C4' energy: -93.896 flat angles C4'-P-C4' energy: -102.599 flat angles P-C4'-P energy: -52.019 tors. eta vs tors. theta energy: -103.604 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: 94 Temperature: 1.150000 Total energy: -1240.765200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.765200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.765200 (E_RNA) where: Base-Base interactions energy: -809.833 where: short stacking energy: -365.176 Base-Backbone interact. energy: -2.043 local terms energy: -428.888675 where: bonds (distance) C4'-P energy: -103.601 bonds (distance) P-C4' energy: -87.785 flat angles C4'-P-C4' energy: -94.922 flat angles P-C4'-P energy: -60.316 tors. eta vs tors. theta energy: -82.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -614.430896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.430896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.430896 (E_RNA) where: Base-Base interactions energy: -255.932 where: short stacking energy: -187.661 Base-Backbone interact. energy: -1.078 local terms energy: -357.420428 where: bonds (distance) C4'-P energy: -85.512 bonds (distance) P-C4' energy: -112.445 flat angles C4'-P-C4' energy: -92.087 flat angles P-C4'-P energy: -61.111 tors. eta vs tors. theta energy: -6.266 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: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -535.187183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.187183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.187183 (E_RNA) where: Base-Base interactions energy: -203.343 where: short stacking energy: -148.959 Base-Backbone interact. energy: 2.898 local terms energy: -334.742931 where: bonds (distance) C4'-P energy: -96.757 bonds (distance) P-C4' energy: -111.182 flat angles C4'-P-C4' energy: -85.159 flat angles P-C4'-P energy: -52.764 tors. eta vs tors. theta energy: 11.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -491.828359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.828359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.828359 (E_RNA) where: Base-Base interactions energy: -192.001 where: short stacking energy: -155.583 Base-Backbone interact. energy: 0.464 local terms energy: -300.290842 where: bonds (distance) C4'-P energy: -78.086 bonds (distance) P-C4' energy: -104.063 flat angles C4'-P-C4' energy: -87.211 flat angles P-C4'-P energy: -45.836 tors. eta vs tors. theta energy: 14.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -437.951508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.951508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.951508 (E_RNA) where: Base-Base interactions energy: -157.953 where: short stacking energy: -85.760 Base-Backbone interact. energy: -0.594 local terms energy: -279.405447 where: bonds (distance) C4'-P energy: -93.104 bonds (distance) P-C4' energy: -103.260 flat angles C4'-P-C4' energy: -55.914 flat angles P-C4'-P energy: -52.852 tors. eta vs tors. theta energy: 25.726 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: 1, replica: 7 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1821.331985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.331985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.331985 (E_RNA) where: Base-Base interactions energy: -1221.276 where: short stacking energy: -538.415 Base-Backbone interact. energy: -1.777 local terms energy: -598.278998 where: bonds (distance) C4'-P energy: -99.591 bonds (distance) P-C4' energy: -121.632 flat angles C4'-P-C4' energy: -127.084 flat angles P-C4'-P energy: -85.236 tors. eta vs tors. theta energy: -164.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1667.277524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.277524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.277524 (E_RNA) where: Base-Base interactions energy: -1127.633 where: short stacking energy: -474.247 Base-Backbone interact. energy: -2.448 local terms energy: -537.197130 where: bonds (distance) C4'-P energy: -110.960 bonds (distance) P-C4' energy: -113.473 flat angles C4'-P-C4' energy: -113.209 flat angles P-C4'-P energy: -69.108 tors. eta vs tors. theta energy: -130.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1607.818434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.818434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.818434 (E_RNA) where: Base-Base interactions energy: -1052.346 where: short stacking energy: -458.961 Base-Backbone interact. energy: -1.764 local terms energy: -553.708168 where: bonds (distance) C4'-P energy: -113.767 bonds (distance) P-C4' energy: -103.906 flat angles C4'-P-C4' energy: -124.661 flat angles P-C4'-P energy: -71.718 tors. eta vs tors. theta energy: -139.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1396.549395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.549395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.549395 (E_RNA) where: Base-Base interactions energy: -927.534 where: short stacking energy: -411.725 Base-Backbone interact. energy: 5.667 local terms energy: -474.682270 where: bonds (distance) C4'-P energy: -98.498 bonds (distance) P-C4' energy: -92.211 flat angles C4'-P-C4' energy: -124.566 flat angles P-C4'-P energy: -57.166 tors. eta vs tors. theta energy: -102.241 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: 95 Temperature: 1.100000 Total energy: -1331.127434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.127434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.127434 (E_RNA) where: Base-Base interactions energy: -882.062 where: short stacking energy: -369.897 Base-Backbone interact. energy: -2.459 local terms energy: -446.606964 where: bonds (distance) C4'-P energy: -97.931 bonds (distance) P-C4' energy: -111.901 flat angles C4'-P-C4' energy: -97.351 flat angles P-C4'-P energy: -52.417 tors. eta vs tors. theta energy: -87.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1174.663918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.663918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.663918 (E_RNA) where: Base-Base interactions energy: -723.323 where: short stacking energy: -323.555 Base-Backbone interact. energy: 3.999 local terms energy: -455.339702 where: bonds (distance) C4'-P energy: -101.187 bonds (distance) P-C4' energy: -95.264 flat angles C4'-P-C4' energy: -106.818 flat angles P-C4'-P energy: -80.199 tors. eta vs tors. theta energy: -71.872 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: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -691.829411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.829411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.829411 (E_RNA) where: Base-Base interactions energy: -334.869 where: short stacking energy: -216.039 Base-Backbone interact. energy: -2.275 local terms energy: -354.685671 where: bonds (distance) C4'-P energy: -90.623 bonds (distance) P-C4' energy: -94.477 flat angles C4'-P-C4' energy: -79.456 flat angles P-C4'-P energy: -62.283 tors. eta vs tors. theta energy: -27.847 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: 95 Temperature: 1.250000 Total energy: -597.073648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.073648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.073648 (E_RNA) where: Base-Base interactions energy: -267.293 where: short stacking energy: -156.278 Base-Backbone interact. energy: 4.179 local terms energy: -333.959799 where: bonds (distance) C4'-P energy: -92.701 bonds (distance) P-C4' energy: -99.103 flat angles C4'-P-C4' energy: -92.505 flat angles P-C4'-P energy: -49.089 tors. eta vs tors. theta energy: -0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -460.261339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.261339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.261339 (E_RNA) where: Base-Base interactions energy: -164.577 where: short stacking energy: -130.641 Base-Backbone interact. energy: -1.151 local terms energy: -294.533208 where: bonds (distance) C4'-P energy: -94.740 bonds (distance) P-C4' energy: -89.004 flat angles C4'-P-C4' energy: -96.185 flat angles P-C4'-P energy: -38.058 tors. eta vs tors. theta energy: 23.453 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: 95 Temperature: 1.350000 Total energy: -425.106842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.106842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.106842 (E_RNA) where: Base-Base interactions energy: -132.241 where: short stacking energy: -109.344 Base-Backbone interact. energy: -1.196 local terms energy: -291.669432 where: bonds (distance) C4'-P energy: -90.860 bonds (distance) P-C4' energy: -101.605 flat angles C4'-P-C4' energy: -76.929 flat angles P-C4'-P energy: -47.837 tors. eta vs tors. theta energy: 25.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1796.831030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.831030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.831030 (E_RNA) where: Base-Base interactions energy: -1196.879 where: short stacking energy: -557.743 Base-Backbone interact. energy: -1.795 local terms energy: -598.156380 where: bonds (distance) C4'-P energy: -104.859 bonds (distance) P-C4' energy: -117.718 flat angles C4'-P-C4' energy: -117.752 flat angles P-C4'-P energy: -93.788 tors. eta vs tors. theta energy: -164.039 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: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1671.005059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.005059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.005059 (E_RNA) where: Base-Base interactions energy: -1125.068 where: short stacking energy: -471.222 Base-Backbone interact. energy: -3.923 local terms energy: -542.014226 where: bonds (distance) C4'-P energy: -116.198 bonds (distance) P-C4' energy: -109.657 flat angles C4'-P-C4' energy: -111.088 flat angles P-C4'-P energy: -81.569 tors. eta vs tors. theta energy: -123.502 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: 1 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1604.912907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.912907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.912907 (E_RNA) where: Base-Base interactions energy: -1096.851 where: short stacking energy: -465.489 Base-Backbone interact. energy: -5.609 local terms energy: -502.452910 where: bonds (distance) C4'-P energy: -98.816 bonds (distance) P-C4' energy: -99.522 flat angles C4'-P-C4' energy: -97.699 flat angles P-C4'-P energy: -74.479 tors. eta vs tors. theta energy: -131.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1419.514812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.514812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.514812 (E_RNA) where: Base-Base interactions energy: -949.972 where: short stacking energy: -410.711 Base-Backbone interact. energy: -1.846 local terms energy: -467.696924 where: bonds (distance) C4'-P energy: -104.872 bonds (distance) P-C4' energy: -93.992 flat angles C4'-P-C4' energy: -105.693 flat angles P-C4'-P energy: -67.315 tors. eta vs tors. theta energy: -95.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1307.187201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.187201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.187201 (E_RNA) where: Base-Base interactions energy: -848.216 where: short stacking energy: -359.575 Base-Backbone interact. energy: -1.937 local terms energy: -457.034260 where: bonds (distance) C4'-P energy: -96.368 bonds (distance) P-C4' energy: -101.862 flat angles C4'-P-C4' energy: -105.252 flat angles P-C4'-P energy: -69.508 tors. eta vs tors. theta energy: -84.044 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: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1201.808023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.808023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.808023 (E_RNA) where: Base-Base interactions energy: -749.022 where: short stacking energy: -342.712 Base-Backbone interact. energy: -3.967 local terms energy: -448.818776 where: bonds (distance) C4'-P energy: -104.673 bonds (distance) P-C4' energy: -107.622 flat angles C4'-P-C4' energy: -104.809 flat angles P-C4'-P energy: -54.668 tors. eta vs tors. theta energy: -77.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -688.939385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.939385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.939385 (E_RNA) where: Base-Base interactions energy: -332.609 where: short stacking energy: -208.433 Base-Backbone interact. energy: 1.219 local terms energy: -357.548916 where: bonds (distance) C4'-P energy: -90.432 bonds (distance) P-C4' energy: -107.337 flat angles C4'-P-C4' energy: -90.407 flat angles P-C4'-P energy: -52.919 tors. eta vs tors. theta energy: -16.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -600.188110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.188110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.188110 (E_RNA) where: Base-Base interactions energy: -274.607 where: short stacking energy: -173.272 Base-Backbone interact. energy: 1.273 local terms energy: -326.853755 where: bonds (distance) C4'-P energy: -87.944 bonds (distance) P-C4' energy: -101.689 flat angles C4'-P-C4' energy: -81.287 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: -6.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -444.734801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.734801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.734801 (E_RNA) where: Base-Base interactions energy: -176.625 where: short stacking energy: -107.971 Base-Backbone interact. energy: 2.998 local terms energy: -271.107278 where: bonds (distance) C4'-P energy: -90.327 bonds (distance) P-C4' energy: -88.079 flat angles C4'-P-C4' energy: -70.635 flat angles P-C4'-P energy: -53.183 tors. eta vs tors. theta energy: 31.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -421.001061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.001061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.001061 (E_RNA) where: Base-Base interactions energy: -131.513 where: short stacking energy: -109.220 Base-Backbone interact. energy: 0.683 local terms energy: -290.171661 where: bonds (distance) C4'-P energy: -84.133 bonds (distance) P-C4' energy: -106.994 flat angles C4'-P-C4' energy: -73.974 flat angles P-C4'-P energy: -44.691 tors. eta vs tors. theta energy: 19.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1824.201795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.201795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.201795 (E_RNA) where: Base-Base interactions energy: -1238.092 where: short stacking energy: -530.549 Base-Backbone interact. energy: -5.211 local terms energy: -580.898050 where: bonds (distance) C4'-P energy: -107.283 bonds (distance) P-C4' energy: -108.512 flat angles C4'-P-C4' energy: -135.245 flat angles P-C4'-P energy: -81.284 tors. eta vs tors. theta energy: -148.574 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: 97 Temperature: 0.950000 Total energy: -1687.962550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.962550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.962550 (E_RNA) where: Base-Base interactions energy: -1137.311 where: short stacking energy: -487.608 Base-Backbone interact. energy: -3.289 local terms energy: -547.362251 where: bonds (distance) C4'-P energy: -102.465 bonds (distance) P-C4' energy: -111.874 flat angles C4'-P-C4' energy: -105.651 flat angles P-C4'-P energy: -80.609 tors. eta vs tors. theta energy: -146.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1573.976023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.976023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.976023 (E_RNA) where: Base-Base interactions energy: -1030.230 where: short stacking energy: -468.600 Base-Backbone interact. energy: -0.427 local terms energy: -543.318943 where: bonds (distance) C4'-P energy: -104.346 bonds (distance) P-C4' energy: -106.769 flat angles C4'-P-C4' energy: -125.420 flat angles P-C4'-P energy: -72.248 tors. eta vs tors. theta energy: -134.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1392.153800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.153800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.153800 (E_RNA) where: Base-Base interactions energy: -922.303 where: short stacking energy: -372.807 Base-Backbone interact. energy: 3.762 local terms energy: -473.613192 where: bonds (distance) C4'-P energy: -108.130 bonds (distance) P-C4' energy: -108.453 flat angles C4'-P-C4' energy: -99.473 flat angles P-C4'-P energy: -68.073 tors. eta vs tors. theta energy: -89.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1325.931852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.931852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.931852 (E_RNA) where: Base-Base interactions energy: -874.231 where: short stacking energy: -379.941 Base-Backbone interact. energy: 1.959 local terms energy: -453.659450 where: bonds (distance) C4'-P energy: -82.858 bonds (distance) P-C4' energy: -105.210 flat angles C4'-P-C4' energy: -104.988 flat angles P-C4'-P energy: -63.430 tors. eta vs tors. theta energy: -97.174 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: 97 Temperature: 1.150000 Total energy: -1194.317503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.317503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.317503 (E_RNA) where: Base-Base interactions energy: -773.304 where: short stacking energy: -334.613 Base-Backbone interact. energy: -0.529 local terms energy: -420.483793 where: bonds (distance) C4'-P energy: -111.934 bonds (distance) P-C4' energy: -88.838 flat angles C4'-P-C4' energy: -89.416 flat angles P-C4'-P energy: -54.137 tors. eta vs tors. theta energy: -76.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -688.204945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.204945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.204945 (E_RNA) where: Base-Base interactions energy: -339.689 where: short stacking energy: -205.443 Base-Backbone interact. energy: 0.029 local terms energy: -348.544774 where: bonds (distance) C4'-P energy: -98.071 bonds (distance) P-C4' energy: -95.804 flat angles C4'-P-C4' energy: -85.990 flat angles P-C4'-P energy: -41.497 tors. eta vs tors. theta energy: -27.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -613.427950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.427950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.427950 (E_RNA) where: Base-Base interactions energy: -256.322 where: short stacking energy: -186.826 Base-Backbone interact. energy: -1.647 local terms energy: -355.459783 where: bonds (distance) C4'-P energy: -88.955 bonds (distance) P-C4' energy: -115.364 flat angles C4'-P-C4' energy: -79.922 flat angles P-C4'-P energy: -52.850 tors. eta vs tors. theta energy: -18.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -520.542479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.542479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.542479 (E_RNA) where: Base-Base interactions energy: -203.952 where: short stacking energy: -135.331 Base-Backbone interact. energy: -1.358 local terms energy: -315.231783 where: bonds (distance) C4'-P energy: -85.752 bonds (distance) P-C4' energy: -94.544 flat angles C4'-P-C4' energy: -77.181 flat angles P-C4'-P energy: -67.158 tors. eta vs tors. theta energy: 9.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -413.123325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.123325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.123325 (E_RNA) where: Base-Base interactions energy: -146.757 where: short stacking energy: -109.665 Base-Backbone interact. energy: -3.125 local terms energy: -263.241673 where: bonds (distance) C4'-P energy: -104.177 bonds (distance) P-C4' energy: -70.731 flat angles C4'-P-C4' energy: -67.347 flat angles P-C4'-P energy: -47.040 tors. eta vs tors. theta energy: 26.052 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: 1, replica: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1866.534346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.534346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.534346 (E_RNA) where: Base-Base interactions energy: -1276.214 where: short stacking energy: -559.087 Base-Backbone interact. energy: -0.696 local terms energy: -589.624485 where: bonds (distance) C4'-P energy: -107.635 bonds (distance) P-C4' energy: -115.896 flat angles C4'-P-C4' energy: -122.492 flat angles P-C4'-P energy: -76.577 tors. eta vs tors. theta energy: -167.025 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: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1681.452955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.452955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.452955 (E_RNA) where: Base-Base interactions energy: -1124.630 where: short stacking energy: -498.361 Base-Backbone interact. energy: 1.852 local terms energy: -558.675044 where: bonds (distance) C4'-P energy: -119.977 bonds (distance) P-C4' energy: -108.447 flat angles C4'-P-C4' energy: -114.008 flat angles P-C4'-P energy: -73.557 tors. eta vs tors. theta energy: -142.686 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: 1 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1565.484031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.484031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.484031 (E_RNA) where: Base-Base interactions energy: -1016.486 where: short stacking energy: -447.370 Base-Backbone interact. energy: -1.838 local terms energy: -547.160330 where: bonds (distance) C4'-P energy: -114.994 bonds (distance) P-C4' energy: -111.914 flat angles C4'-P-C4' energy: -116.315 flat angles P-C4'-P energy: -82.159 tors. eta vs tors. theta energy: -121.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1464.071568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.071568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.071568 (E_RNA) where: Base-Base interactions energy: -968.851 where: short stacking energy: -408.502 Base-Backbone interact. energy: -1.053 local terms energy: -494.167773 where: bonds (distance) C4'-P energy: -112.845 bonds (distance) P-C4' energy: -100.114 flat angles C4'-P-C4' energy: -110.128 flat angles P-C4'-P energy: -68.022 tors. eta vs tors. theta energy: -103.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1352.528939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.528939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.528939 (E_RNA) where: Base-Base interactions energy: -875.537 where: short stacking energy: -399.551 Base-Backbone interact. energy: -1.325 local terms energy: -475.667577 where: bonds (distance) C4'-P energy: -106.570 bonds (distance) P-C4' energy: -95.686 flat angles C4'-P-C4' energy: -108.570 flat angles P-C4'-P energy: -56.334 tors. eta vs tors. theta energy: -108.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1186.315245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.315245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.315245 (E_RNA) where: Base-Base interactions energy: -749.608 where: short stacking energy: -340.881 Base-Backbone interact. energy: 2.938 local terms energy: -439.645404 where: bonds (distance) C4'-P energy: -94.563 bonds (distance) P-C4' energy: -101.214 flat angles C4'-P-C4' energy: -96.859 flat angles P-C4'-P energy: -59.236 tors. eta vs tors. theta energy: -87.774 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: 7, replica: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -701.244550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.244550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.244550 (E_RNA) where: Base-Base interactions energy: -351.445 where: short stacking energy: -208.617 Base-Backbone interact. energy: -2.637 local terms energy: -347.162171 where: bonds (distance) C4'-P energy: -96.499 bonds (distance) P-C4' energy: -97.736 flat angles C4'-P-C4' energy: -84.762 flat angles P-C4'-P energy: -51.199 tors. eta vs tors. theta energy: -16.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -505.358562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.358562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.358562 (E_RNA) where: Base-Base interactions energy: -174.114 where: short stacking energy: -140.826 Base-Backbone interact. energy: 3.251 local terms energy: -334.495132 where: bonds (distance) C4'-P energy: -97.727 bonds (distance) P-C4' energy: -93.741 flat angles C4'-P-C4' energy: -70.805 flat angles P-C4'-P energy: -63.406 tors. eta vs tors. theta energy: -8.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -492.848982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.848982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.848982 (E_RNA) where: Base-Base interactions energy: -200.340 where: short stacking energy: -136.893 Base-Backbone interact. energy: -1.750 local terms energy: -290.758504 where: bonds (distance) C4'-P energy: -81.392 bonds (distance) P-C4' energy: -93.375 flat angles C4'-P-C4' energy: -78.838 flat angles P-C4'-P energy: -41.093 tors. eta vs tors. theta energy: 3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -451.751495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.751495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.751495 (E_RNA) where: Base-Base interactions energy: -140.652 where: short stacking energy: -120.435 Base-Backbone interact. energy: 3.091 local terms energy: -314.189901 where: bonds (distance) C4'-P energy: -101.141 bonds (distance) P-C4' energy: -102.152 flat angles C4'-P-C4' energy: -79.229 flat angles P-C4'-P energy: -38.240 tors. eta vs tors. theta energy: 6.573 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: 99 Temperature: 0.900000 Total energy: -1861.529071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.529071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.529071 (E_RNA) where: Base-Base interactions energy: -1264.388 where: short stacking energy: -543.283 Base-Backbone interact. energy: 0.329 local terms energy: -597.469824 where: bonds (distance) C4'-P energy: -101.505 bonds (distance) P-C4' energy: -119.626 flat angles C4'-P-C4' energy: -125.220 flat angles P-C4'-P energy: -91.478 tors. eta vs tors. theta energy: -159.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1685.643721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.643721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.643721 (E_RNA) where: Base-Base interactions energy: -1113.483 where: short stacking energy: -492.227 Base-Backbone interact. energy: -0.453 local terms energy: -571.707766 where: bonds (distance) C4'-P energy: -111.622 bonds (distance) P-C4' energy: -121.912 flat angles C4'-P-C4' energy: -118.161 flat angles P-C4'-P energy: -71.196 tors. eta vs tors. theta energy: -148.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1572.354169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.354169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.354169 (E_RNA) where: Base-Base interactions energy: -1041.472 where: short stacking energy: -473.689 Base-Backbone interact. energy: -3.191 local terms energy: -527.691557 where: bonds (distance) C4'-P energy: -102.987 bonds (distance) P-C4' energy: -110.826 flat angles C4'-P-C4' energy: -112.442 flat angles P-C4'-P energy: -57.878 tors. eta vs tors. theta energy: -143.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1459.039686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.039686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.039686 (E_RNA) where: Base-Base interactions energy: -972.404 where: short stacking energy: -421.801 Base-Backbone interact. energy: 5.210 local terms energy: -491.845620 where: bonds (distance) C4'-P energy: -94.332 bonds (distance) P-C4' energy: -107.952 flat angles C4'-P-C4' energy: -120.380 flat angles P-C4'-P energy: -65.580 tors. eta vs tors. theta energy: -103.602 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: 5, replica: 5 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1323.117872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.117872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.117872 (E_RNA) where: Base-Base interactions energy: -853.481 where: short stacking energy: -385.267 Base-Backbone interact. energy: 1.862 local terms energy: -471.499310 where: bonds (distance) C4'-P energy: -105.680 bonds (distance) P-C4' energy: -105.785 flat angles C4'-P-C4' energy: -113.852 flat angles P-C4'-P energy: -45.836 tors. eta vs tors. theta energy: -100.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1165.149842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.149842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.149842 (E_RNA) where: Base-Base interactions energy: -732.455 where: short stacking energy: -335.916 Base-Backbone interact. energy: 3.696 local terms energy: -436.390894 where: bonds (distance) C4'-P energy: -108.638 bonds (distance) P-C4' energy: -108.387 flat angles C4'-P-C4' energy: -95.391 flat angles P-C4'-P energy: -61.679 tors. eta vs tors. theta energy: -62.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -615.697188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.697188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.697188 (E_RNA) where: Base-Base interactions energy: -274.297 where: short stacking energy: -157.549 Base-Backbone interact. energy: 6.967 local terms energy: -348.367127 where: bonds (distance) C4'-P energy: -92.361 bonds (distance) P-C4' energy: -104.945 flat angles C4'-P-C4' energy: -78.722 flat angles P-C4'-P energy: -67.590 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -503.283715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.283715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.283715 (E_RNA) where: Base-Base interactions energy: -145.587 where: short stacking energy: -128.269 Base-Backbone interact. energy: -2.018 local terms energy: -355.678406 where: bonds (distance) C4'-P energy: -96.166 bonds (distance) P-C4' energy: -100.193 flat angles C4'-P-C4' energy: -92.073 flat angles P-C4'-P energy: -70.115 tors. eta vs tors. theta energy: 2.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -469.778072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.778072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.778072 (E_RNA) where: Base-Base interactions energy: -159.492 where: short stacking energy: -116.957 Base-Backbone interact. energy: 1.887 local terms energy: -312.172944 where: bonds (distance) C4'-P energy: -118.528 bonds (distance) P-C4' energy: -84.774 flat angles C4'-P-C4' energy: -83.464 flat angles P-C4'-P energy: -34.287 tors. eta vs tors. theta energy: 8.881 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: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -431.962658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.962658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.962658 (E_RNA) where: Base-Base interactions energy: -157.394 where: short stacking energy: -143.879 Base-Backbone interact. energy: 8.433 local terms energy: -283.001636 where: bonds (distance) C4'-P energy: -84.696 bonds (distance) P-C4' energy: -92.607 flat angles C4'-P-C4' energy: -72.344 flat angles P-C4'-P energy: -40.425 tors. eta vs tors. theta energy: 7.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1836.389880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.389880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.389880 (E_RNA) where: Base-Base interactions energy: -1248.038 where: short stacking energy: -545.000 Base-Backbone interact. energy: -3.573 local terms energy: -584.778508 where: bonds (distance) C4'-P energy: -103.006 bonds (distance) P-C4' energy: -108.220 flat angles C4'-P-C4' energy: -131.149 flat angles P-C4'-P energy: -83.805 tors. eta vs tors. theta energy: -158.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1682.823213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.823213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.823213 (E_RNA) where: Base-Base interactions energy: -1129.445 where: short stacking energy: -509.583 Base-Backbone interact. energy: -2.723 local terms energy: -550.655192 where: bonds (distance) C4'-P energy: -101.259 bonds (distance) P-C4' energy: -101.417 flat angles C4'-P-C4' energy: -111.734 flat angles P-C4'-P energy: -82.289 tors. eta vs tors. theta energy: -153.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1588.241087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.241087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.241087 (E_RNA) where: Base-Base interactions energy: -1063.746 where: short stacking energy: -489.146 Base-Backbone interact. energy: 1.703 local terms energy: -526.197766 where: bonds (distance) C4'-P energy: -102.300 bonds (distance) P-C4' energy: -113.666 flat angles C4'-P-C4' energy: -119.518 flat angles P-C4'-P energy: -63.090 tors. eta vs tors. theta energy: -127.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1418.873156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.873156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.873156 (E_RNA) where: Base-Base interactions energy: -931.185 where: short stacking energy: -409.786 Base-Backbone interact. energy: -1.297 local terms energy: -486.391290 where: bonds (distance) C4'-P energy: -100.971 bonds (distance) P-C4' energy: -108.241 flat angles C4'-P-C4' energy: -114.236 flat angles P-C4'-P energy: -60.149 tors. eta vs tors. theta energy: -102.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1332.170497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.170497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.170497 (E_RNA) where: Base-Base interactions energy: -869.386 where: short stacking energy: -392.353 Base-Backbone interact. energy: 0.246 local terms energy: -463.031065 where: bonds (distance) C4'-P energy: -90.076 bonds (distance) P-C4' energy: -111.106 flat angles C4'-P-C4' energy: -103.008 flat angles P-C4'-P energy: -47.166 tors. eta vs tors. theta energy: -111.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1199.079641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.079641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.079641 (E_RNA) where: Base-Base interactions energy: -760.036 where: short stacking energy: -336.720 Base-Backbone interact. energy: -0.290 local terms energy: -438.752897 where: bonds (distance) C4'-P energy: -85.856 bonds (distance) P-C4' energy: -110.953 flat angles C4'-P-C4' energy: -103.306 flat angles P-C4'-P energy: -59.259 tors. eta vs tors. theta energy: -79.379 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: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -625.283644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.283644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.283644 (E_RNA) where: Base-Base interactions energy: -270.543 where: short stacking energy: -194.600 Base-Backbone interact. energy: -1.221 local terms energy: -353.520040 where: bonds (distance) C4'-P energy: -94.165 bonds (distance) P-C4' energy: -93.230 flat angles C4'-P-C4' energy: -88.578 flat angles P-C4'-P energy: -55.347 tors. eta vs tors. theta energy: -22.201 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: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -551.018333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.018333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.018333 (E_RNA) where: Base-Base interactions energy: -239.892 where: short stacking energy: -140.844 Base-Backbone interact. energy: -3.835 local terms energy: -307.291660 where: bonds (distance) C4'-P energy: -85.438 bonds (distance) P-C4' energy: -99.779 flat angles C4'-P-C4' energy: -80.373 flat angles P-C4'-P energy: -54.707 tors. eta vs tors. theta energy: 13.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -472.292328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.292328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.292328 (E_RNA) where: Base-Base interactions energy: -170.841 where: short stacking energy: -135.458 Base-Backbone interact. energy: 1.042 local terms energy: -302.492680 where: bonds (distance) C4'-P energy: -73.374 bonds (distance) P-C4' energy: -99.885 flat angles C4'-P-C4' energy: -84.315 flat angles P-C4'-P energy: -54.162 tors. eta vs tors. theta energy: 9.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -419.114668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.114668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.114668 (E_RNA) where: Base-Base interactions energy: -145.910 where: short stacking energy: -107.460 Base-Backbone interact. energy: 4.091 local terms energy: -277.295278 where: bonds (distance) C4'-P energy: -100.182 bonds (distance) P-C4' energy: -90.132 flat angles C4'-P-C4' energy: -62.770 flat angles P-C4'-P energy: -37.048 tors. eta vs tors. theta energy: 12.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1869.850499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.850499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.850499 (E_RNA) where: Base-Base interactions energy: -1271.678 where: short stacking energy: -535.772 Base-Backbone interact. energy: 3.559 local terms energy: -601.731478 where: bonds (distance) C4'-P energy: -119.465 bonds (distance) P-C4' energy: -110.462 flat angles C4'-P-C4' energy: -129.555 flat angles P-C4'-P energy: -81.598 tors. eta vs tors. theta energy: -160.653 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: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1696.967748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.967748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.967748 (E_RNA) where: Base-Base interactions energy: -1125.290 where: short stacking energy: -476.037 Base-Backbone interact. energy: 1.620 local terms energy: -573.297263 where: bonds (distance) C4'-P energy: -109.018 bonds (distance) P-C4' energy: -122.490 flat angles C4'-P-C4' energy: -115.554 flat angles P-C4'-P energy: -78.956 tors. eta vs tors. theta energy: -147.279 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: 101 Temperature: 1.000000 Total energy: -1560.371638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.371638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.371638 (E_RNA) where: Base-Base interactions energy: -1022.006 where: short stacking energy: -434.169 Base-Backbone interact. energy: -3.775 local terms energy: -534.591286 where: bonds (distance) C4'-P energy: -97.685 bonds (distance) P-C4' energy: -117.239 flat angles C4'-P-C4' energy: -113.051 flat angles P-C4'-P energy: -77.437 tors. eta vs tors. theta energy: -129.180 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: 101 Temperature: 1.050000 Total energy: -1452.854394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.854394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.854394 (E_RNA) where: Base-Base interactions energy: -973.927 where: short stacking energy: -438.132 Base-Backbone interact. energy: -0.326 local terms energy: -478.601632 where: bonds (distance) C4'-P energy: -102.858 bonds (distance) P-C4' energy: -96.419 flat angles C4'-P-C4' energy: -102.577 flat angles P-C4'-P energy: -63.595 tors. eta vs tors. theta energy: -113.153 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: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1348.460223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.460223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.460223 (E_RNA) where: Base-Base interactions energy: -870.248 where: short stacking energy: -387.998 Base-Backbone interact. energy: 1.067 local terms energy: -479.278459 where: bonds (distance) C4'-P energy: -94.161 bonds (distance) P-C4' energy: -107.367 flat angles C4'-P-C4' energy: -113.910 flat angles P-C4'-P energy: -51.394 tors. eta vs tors. theta energy: -112.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1221.914560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.914560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.914560 (E_RNA) where: Base-Base interactions energy: -768.691 where: short stacking energy: -339.166 Base-Backbone interact. energy: 1.590 local terms energy: -454.813673 where: bonds (distance) C4'-P energy: -92.768 bonds (distance) P-C4' energy: -84.863 flat angles C4'-P-C4' energy: -104.315 flat angles P-C4'-P energy: -74.867 tors. eta vs tors. theta energy: -98.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -610.798979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.798979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.798979 (E_RNA) where: Base-Base interactions energy: -269.213 where: short stacking energy: -176.311 Base-Backbone interact. energy: 7.541 local terms energy: -349.127529 where: bonds (distance) C4'-P energy: -107.251 bonds (distance) P-C4' energy: -104.730 flat angles C4'-P-C4' energy: -78.162 flat angles P-C4'-P energy: -56.768 tors. eta vs tors. theta energy: -2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -588.215608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.215608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.215608 (E_RNA) where: Base-Base interactions energy: -247.819 where: short stacking energy: -167.816 Base-Backbone interact. energy: 1.424 local terms energy: -341.820769 where: bonds (distance) C4'-P energy: -89.788 bonds (distance) P-C4' energy: -91.657 flat angles C4'-P-C4' energy: -88.070 flat angles P-C4'-P energy: -66.256 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: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -464.717755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.717755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.717755 (E_RNA) where: Base-Base interactions energy: -191.177 where: short stacking energy: -134.536 Base-Backbone interact. energy: 4.987 local terms energy: -278.527449 where: bonds (distance) C4'-P energy: -74.209 bonds (distance) P-C4' energy: -98.007 flat angles C4'-P-C4' energy: -78.410 flat angles P-C4'-P energy: -43.878 tors. eta vs tors. theta energy: 15.975 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: 101 Temperature: 1.350000 Total energy: -422.420216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.420216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.420216 (E_RNA) where: Base-Base interactions energy: -134.541 where: short stacking energy: -94.895 Base-Backbone interact. energy: 1.062 local terms energy: -288.940495 where: bonds (distance) C4'-P energy: -77.820 bonds (distance) P-C4' energy: -98.548 flat angles C4'-P-C4' energy: -85.750 flat angles P-C4'-P energy: -51.006 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: 1, replica: 7 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1861.136074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.136074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.136074 (E_RNA) where: Base-Base interactions energy: -1288.860 where: short stacking energy: -576.080 Base-Backbone interact. energy: -0.637 local terms energy: -571.638377 where: bonds (distance) C4'-P energy: -107.749 bonds (distance) P-C4' energy: -105.450 flat angles C4'-P-C4' energy: -114.369 flat angles P-C4'-P energy: -82.651 tors. eta vs tors. theta energy: -161.419 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: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1689.700250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.700250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.700250 (E_RNA) where: Base-Base interactions energy: -1141.738 where: short stacking energy: -496.195 Base-Backbone interact. energy: 3.120 local terms energy: -551.082720 where: bonds (distance) C4'-P energy: -107.648 bonds (distance) P-C4' energy: -109.811 flat angles C4'-P-C4' energy: -116.031 flat angles P-C4'-P energy: -79.678 tors. eta vs tors. theta energy: -137.915 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: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1613.616231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.616231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.616231 (E_RNA) where: Base-Base interactions energy: -1039.122 where: short stacking energy: -468.686 Base-Backbone interact. energy: -2.434 local terms energy: -572.061120 where: bonds (distance) C4'-P energy: -103.512 bonds (distance) P-C4' energy: -123.730 flat angles C4'-P-C4' energy: -117.682 flat angles P-C4'-P energy: -83.110 tors. eta vs tors. theta energy: -144.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1415.554852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.554852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.554852 (E_RNA) where: Base-Base interactions energy: -942.884 where: short stacking energy: -420.492 Base-Backbone interact. energy: -2.149 local terms energy: -470.521685 where: bonds (distance) C4'-P energy: -89.078 bonds (distance) P-C4' energy: -105.264 flat angles C4'-P-C4' energy: -107.353 flat angles P-C4'-P energy: -62.629 tors. eta vs tors. theta energy: -106.197 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: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1343.544246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.544246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.544246 (E_RNA) where: Base-Base interactions energy: -874.138 where: short stacking energy: -394.478 Base-Backbone interact. energy: -2.187 local terms energy: -467.218497 where: bonds (distance) C4'-P energy: -86.712 bonds (distance) P-C4' energy: -105.126 flat angles C4'-P-C4' energy: -111.441 flat angles P-C4'-P energy: -69.730 tors. eta vs tors. theta energy: -94.209 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: 102 Temperature: 1.150000 Total energy: -1228.114623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.114623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.114623 (E_RNA) where: Base-Base interactions energy: -764.788 where: short stacking energy: -355.629 Base-Backbone interact. energy: -0.751 local terms energy: -462.575815 where: bonds (distance) C4'-P energy: -105.433 bonds (distance) P-C4' energy: -102.457 flat angles C4'-P-C4' energy: -94.760 flat angles P-C4'-P energy: -62.559 tors. eta vs tors. theta energy: -97.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -681.879520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.879520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.879520 (E_RNA) where: Base-Base interactions energy: -343.368 where: short stacking energy: -195.936 Base-Backbone interact. energy: 0.280 local terms energy: -338.791176 where: bonds (distance) C4'-P energy: -96.808 bonds (distance) P-C4' energy: -94.098 flat angles C4'-P-C4' energy: -87.979 flat angles P-C4'-P energy: -62.590 tors. eta vs tors. theta energy: 2.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -585.542090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.542090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.542090 (E_RNA) where: Base-Base interactions energy: -266.966 where: short stacking energy: -172.732 Base-Backbone interact. energy: 0.271 local terms energy: -318.846721 where: bonds (distance) C4'-P energy: -85.386 bonds (distance) P-C4' energy: -106.508 flat angles C4'-P-C4' energy: -79.660 flat angles P-C4'-P energy: -42.109 tors. eta vs tors. theta energy: -5.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -533.298712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.298712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.298712 (E_RNA) where: Base-Base interactions energy: -215.233 where: short stacking energy: -135.093 Base-Backbone interact. energy: -1.428 local terms energy: -316.638304 where: bonds (distance) C4'-P energy: -99.518 bonds (distance) P-C4' energy: -97.097 flat angles C4'-P-C4' energy: -82.967 flat angles P-C4'-P energy: -56.373 tors. eta vs tors. theta energy: 19.317 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: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -410.828547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.828547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.828547 (E_RNA) where: Base-Base interactions energy: -139.927 where: short stacking energy: -104.184 Base-Backbone interact. energy: 3.136 local terms energy: -274.036936 where: bonds (distance) C4'-P energy: -99.005 bonds (distance) P-C4' energy: -98.882 flat angles C4'-P-C4' energy: -65.468 flat angles P-C4'-P energy: -36.339 tors. eta vs tors. theta energy: 25.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1894.085423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.085423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.085423 (E_RNA) where: Base-Base interactions energy: -1288.383 where: short stacking energy: -565.292 Base-Backbone interact. energy: -1.736 local terms energy: -603.967250 where: bonds (distance) C4'-P energy: -117.768 bonds (distance) P-C4' energy: -124.342 flat angles C4'-P-C4' energy: -125.751 flat angles P-C4'-P energy: -77.774 tors. eta vs tors. theta energy: -158.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1691.785584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.785584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.785584 (E_RNA) where: Base-Base interactions energy: -1136.523 where: short stacking energy: -479.045 Base-Backbone interact. energy: -0.558 local terms energy: -554.704903 where: bonds (distance) C4'-P energy: -111.081 bonds (distance) P-C4' energy: -110.529 flat angles C4'-P-C4' energy: -119.058 flat angles P-C4'-P energy: -69.060 tors. eta vs tors. theta energy: -144.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1591.741355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.741355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.741355 (E_RNA) where: Base-Base interactions energy: -1066.525 where: short stacking energy: -450.500 Base-Backbone interact. energy: -4.888 local terms energy: -520.327919 where: bonds (distance) C4'-P energy: -97.891 bonds (distance) P-C4' energy: -106.979 flat angles C4'-P-C4' energy: -115.175 flat angles P-C4'-P energy: -71.132 tors. eta vs tors. theta energy: -129.151 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: 103 Temperature: 1.050000 Total energy: -1329.433688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.433688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.433688 (E_RNA) where: Base-Base interactions energy: -828.560 where: short stacking energy: -355.971 Base-Backbone interact. energy: -1.140 local terms energy: -499.734102 where: bonds (distance) C4'-P energy: -120.300 bonds (distance) P-C4' energy: -109.802 flat angles C4'-P-C4' energy: -114.625 flat angles P-C4'-P energy: -73.507 tors. eta vs tors. theta energy: -81.500 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: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1355.415789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.415789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.415789 (E_RNA) where: Base-Base interactions energy: -872.259 where: short stacking energy: -369.512 Base-Backbone interact. energy: 0.776 local terms energy: -483.933041 where: bonds (distance) C4'-P energy: -98.154 bonds (distance) P-C4' energy: -111.812 flat angles C4'-P-C4' energy: -110.727 flat angles P-C4'-P energy: -59.340 tors. eta vs tors. theta energy: -103.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1238.087821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.087821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.087821 (E_RNA) where: Base-Base interactions energy: -779.706 where: short stacking energy: -343.271 Base-Backbone interact. energy: -1.995 local terms energy: -456.386521 where: bonds (distance) C4'-P energy: -100.361 bonds (distance) P-C4' energy: -99.028 flat angles C4'-P-C4' energy: -110.037 flat angles P-C4'-P energy: -58.130 tors. eta vs tors. theta energy: -88.831 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: 9 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -725.620732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.620732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.620732 (E_RNA) where: Base-Base interactions energy: -350.758 where: short stacking energy: -191.460 Base-Backbone interact. energy: 7.892 local terms energy: -382.754649 where: bonds (distance) C4'-P energy: -89.277 bonds (distance) P-C4' energy: -100.381 flat angles C4'-P-C4' energy: -98.163 flat angles P-C4'-P energy: -61.859 tors. eta vs tors. theta energy: -33.074 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: 4 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -604.549134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.549134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.549134 (E_RNA) where: Base-Base interactions energy: -287.575 where: short stacking energy: -157.149 Base-Backbone interact. energy: 2.044 local terms energy: -319.018398 where: bonds (distance) C4'-P energy: -98.568 bonds (distance) P-C4' energy: -99.290 flat angles C4'-P-C4' energy: -86.405 flat angles P-C4'-P energy: -44.278 tors. eta vs tors. theta energy: 9.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -521.661178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.661178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.661178 (E_RNA) where: Base-Base interactions energy: -187.734 where: short stacking energy: -138.946 Base-Backbone interact. energy: -1.520 local terms energy: -332.406930 where: bonds (distance) C4'-P energy: -92.473 bonds (distance) P-C4' energy: -97.509 flat angles C4'-P-C4' energy: -90.489 flat angles P-C4'-P energy: -41.982 tors. eta vs tors. theta energy: -9.952 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: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -421.320986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.320986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.320986 (E_RNA) where: Base-Base interactions energy: -148.790 where: short stacking energy: -98.158 Base-Backbone interact. energy: -1.543 local terms energy: -270.988234 where: bonds (distance) C4'-P energy: -85.482 bonds (distance) P-C4' energy: -94.670 flat angles C4'-P-C4' energy: -61.938 flat angles P-C4'-P energy: -55.313 tors. eta vs tors. theta energy: 26.415 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: 1, replica: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1902.651400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.651400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.651400 (E_RNA) where: Base-Base interactions energy: -1315.629 where: short stacking energy: -593.813 Base-Backbone interact. energy: 1.849 local terms energy: -588.871001 where: bonds (distance) C4'-P energy: -119.121 bonds (distance) P-C4' energy: -99.161 flat angles C4'-P-C4' energy: -120.671 flat angles P-C4'-P energy: -89.789 tors. eta vs tors. theta energy: -160.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1698.919376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.919376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.919376 (E_RNA) where: Base-Base interactions energy: -1153.643 where: short stacking energy: -461.381 Base-Backbone interact. energy: -1.119 local terms energy: -544.157378 where: bonds (distance) C4'-P energy: -109.167 bonds (distance) P-C4' energy: -98.056 flat angles C4'-P-C4' energy: -127.162 flat angles P-C4'-P energy: -73.054 tors. eta vs tors. theta energy: -136.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1553.167120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.167120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.167120 (E_RNA) where: Base-Base interactions energy: -1040.598 where: short stacking energy: -454.734 Base-Backbone interact. energy: -1.445 local terms energy: -511.124505 where: bonds (distance) C4'-P energy: -93.873 bonds (distance) P-C4' energy: -100.306 flat angles C4'-P-C4' energy: -119.289 flat angles P-C4'-P energy: -68.706 tors. eta vs tors. theta energy: -128.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1365.418299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.418299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.418299 (E_RNA) where: Base-Base interactions energy: -881.826 where: short stacking energy: -382.335 Base-Backbone interact. energy: -1.310 local terms energy: -482.282413 where: bonds (distance) C4'-P energy: -93.568 bonds (distance) P-C4' energy: -98.562 flat angles C4'-P-C4' energy: -110.639 flat angles P-C4'-P energy: -73.589 tors. eta vs tors. theta energy: -105.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1397.892745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.892745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.892745 (E_RNA) where: Base-Base interactions energy: -922.495 where: short stacking energy: -415.142 Base-Backbone interact. energy: 4.151 local terms energy: -479.548744 where: bonds (distance) C4'-P energy: -92.123 bonds (distance) P-C4' energy: -102.734 flat angles C4'-P-C4' energy: -99.478 flat angles P-C4'-P energy: -69.498 tors. eta vs tors. theta energy: -115.715 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: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1236.734315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.734315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.734315 (E_RNA) where: Base-Base interactions energy: -784.054 where: short stacking energy: -341.617 Base-Backbone interact. energy: 4.187 local terms energy: -456.867030 where: bonds (distance) C4'-P energy: -103.937 bonds (distance) P-C4' energy: -103.435 flat angles C4'-P-C4' energy: -110.751 flat angles P-C4'-P energy: -54.103 tors. eta vs tors. theta energy: -84.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -642.385877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.385877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.385877 (E_RNA) where: Base-Base interactions energy: -269.231 where: short stacking energy: -184.775 Base-Backbone interact. energy: -2.761 local terms energy: -370.393678 where: bonds (distance) C4'-P energy: -109.647 bonds (distance) P-C4' energy: -109.551 flat angles C4'-P-C4' energy: -86.211 flat angles P-C4'-P energy: -50.232 tors. eta vs tors. theta energy: -14.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -583.794439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.794439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.794439 (E_RNA) where: Base-Base interactions energy: -261.996 where: short stacking energy: -176.239 Base-Backbone interact. energy: 2.218 local terms energy: -324.016048 where: bonds (distance) C4'-P energy: -91.037 bonds (distance) P-C4' energy: -109.464 flat angles C4'-P-C4' energy: -73.149 flat angles P-C4'-P energy: -43.805 tors. eta vs tors. theta energy: -6.561 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: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -510.500744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.500744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.500744 (E_RNA) where: Base-Base interactions energy: -213.921 where: short stacking energy: -131.463 Base-Backbone interact. energy: -1.528 local terms energy: -295.051306 where: bonds (distance) C4'-P energy: -104.601 bonds (distance) P-C4' energy: -96.910 flat angles C4'-P-C4' energy: -81.058 flat angles P-C4'-P energy: -42.754 tors. eta vs tors. theta energy: 30.272 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: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -401.696345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.696345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.696345 (E_RNA) where: Base-Base interactions energy: -99.464 where: short stacking energy: -87.502 Base-Backbone interact. energy: -1.877 local terms energy: -300.354474 where: bonds (distance) C4'-P energy: -98.960 bonds (distance) P-C4' energy: -97.929 flat angles C4'-P-C4' energy: -77.377 flat angles P-C4'-P energy: -52.365 tors. eta vs tors. theta energy: 26.276 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: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1872.982728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.982728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.982728 (E_RNA) where: Base-Base interactions energy: -1279.872 where: short stacking energy: -560.717 Base-Backbone interact. energy: -2.931 local terms energy: -590.179928 where: bonds (distance) C4'-P energy: -114.935 bonds (distance) P-C4' energy: -111.321 flat angles C4'-P-C4' energy: -126.655 flat angles P-C4'-P energy: -82.518 tors. eta vs tors. theta energy: -154.751 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: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1737.755979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.755979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.755979 (E_RNA) where: Base-Base interactions energy: -1150.795 where: short stacking energy: -495.631 Base-Backbone interact. energy: -2.505 local terms energy: -584.455799 where: bonds (distance) C4'-P energy: -115.630 bonds (distance) P-C4' energy: -116.767 flat angles C4'-P-C4' energy: -119.404 flat angles P-C4'-P energy: -84.378 tors. eta vs tors. theta energy: -148.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1559.446399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.446399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.446399 (E_RNA) where: Base-Base interactions energy: -1038.096 where: short stacking energy: -447.048 Base-Backbone interact. energy: -4.820 local terms energy: -516.530223 where: bonds (distance) C4'-P energy: -112.145 bonds (distance) P-C4' energy: -101.591 flat angles C4'-P-C4' energy: -113.989 flat angles P-C4'-P energy: -73.289 tors. eta vs tors. theta energy: -115.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1479.299420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.299420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.299420 (E_RNA) where: Base-Base interactions energy: -963.468 where: short stacking energy: -457.174 Base-Backbone interact. energy: 3.407 local terms energy: -519.238210 where: bonds (distance) C4'-P energy: -87.725 bonds (distance) P-C4' energy: -95.681 flat angles C4'-P-C4' energy: -121.964 flat angles P-C4'-P energy: -76.494 tors. eta vs tors. theta energy: -137.373 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: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1318.113078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.113078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.113078 (E_RNA) where: Base-Base interactions energy: -894.180 where: short stacking energy: -345.771 Base-Backbone interact. energy: -2.674 local terms energy: -421.258989 where: bonds (distance) C4'-P energy: -95.569 bonds (distance) P-C4' energy: -94.819 flat angles C4'-P-C4' energy: -91.420 flat angles P-C4'-P energy: -62.362 tors. eta vs tors. theta energy: -77.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1175.814828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.814828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.814828 (E_RNA) where: Base-Base interactions energy: -766.257 where: short stacking energy: -322.594 Base-Backbone interact. energy: -4.450 local terms energy: -405.107804 where: bonds (distance) C4'-P energy: -97.341 bonds (distance) P-C4' energy: -89.789 flat angles C4'-P-C4' energy: -94.185 flat angles P-C4'-P energy: -63.486 tors. eta vs tors. theta energy: -60.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -667.707756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.707756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.707756 (E_RNA) where: Base-Base interactions energy: -299.088 where: short stacking energy: -195.290 Base-Backbone interact. energy: -0.562 local terms energy: -368.058120 where: bonds (distance) C4'-P energy: -83.598 bonds (distance) P-C4' energy: -108.141 flat angles C4'-P-C4' energy: -88.092 flat angles P-C4'-P energy: -60.156 tors. eta vs tors. theta energy: -28.071 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: 4 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -594.562783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.562783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.562783 (E_RNA) where: Base-Base interactions energy: -270.800 where: short stacking energy: -198.763 Base-Backbone interact. energy: 4.103 local terms energy: -327.866366 where: bonds (distance) C4'-P energy: -96.648 bonds (distance) P-C4' energy: -109.793 flat angles C4'-P-C4' energy: -71.374 flat angles P-C4'-P energy: -48.890 tors. eta vs tors. theta energy: -1.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -548.732976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.732976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.732976 (E_RNA) where: Base-Base interactions energy: -241.614 where: short stacking energy: -172.728 Base-Backbone interact. energy: 0.959 local terms energy: -308.078587 where: bonds (distance) C4'-P energy: -83.901 bonds (distance) P-C4' energy: -107.064 flat angles C4'-P-C4' energy: -90.614 flat angles P-C4'-P energy: -17.867 tors. eta vs tors. theta energy: -8.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -428.964639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.964639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.964639 (E_RNA) where: Base-Base interactions energy: -128.373 where: short stacking energy: -115.418 Base-Backbone interact. energy: 0.307 local terms energy: -300.898268 where: bonds (distance) C4'-P energy: -95.124 bonds (distance) P-C4' energy: -95.996 flat angles C4'-P-C4' energy: -78.003 flat angles P-C4'-P energy: -53.945 tors. eta vs tors. theta energy: 22.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1878.778061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.778061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.778061 (E_RNA) where: Base-Base interactions energy: -1291.894 where: short stacking energy: -558.912 Base-Backbone interact. energy: -1.233 local terms energy: -585.651297 where: bonds (distance) C4'-P energy: -106.568 bonds (distance) P-C4' energy: -107.679 flat angles C4'-P-C4' energy: -127.147 flat angles P-C4'-P energy: -82.219 tors. eta vs tors. theta energy: -162.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1707.143325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.143325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.143325 (E_RNA) where: Base-Base interactions energy: -1129.371 where: short stacking energy: -490.161 Base-Backbone interact. energy: -3.367 local terms energy: -574.405760 where: bonds (distance) C4'-P energy: -109.784 bonds (distance) P-C4' energy: -114.175 flat angles C4'-P-C4' energy: -124.313 flat angles P-C4'-P energy: -81.044 tors. eta vs tors. theta energy: -145.090 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: 1 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1587.104210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.104210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.104210 (E_RNA) where: Base-Base interactions energy: -1059.619 where: short stacking energy: -479.728 Base-Backbone interact. energy: -3.780 local terms energy: -523.704730 where: bonds (distance) C4'-P energy: -101.999 bonds (distance) P-C4' energy: -104.530 flat angles C4'-P-C4' energy: -117.322 flat angles P-C4'-P energy: -71.110 tors. eta vs tors. theta energy: -128.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1475.159505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.159505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.159505 (E_RNA) where: Base-Base interactions energy: -971.084 where: short stacking energy: -426.651 Base-Backbone interact. energy: 4.859 local terms energy: -508.934272 where: bonds (distance) C4'-P energy: -104.558 bonds (distance) P-C4' energy: -103.276 flat angles C4'-P-C4' energy: -109.344 flat angles P-C4'-P energy: -65.913 tors. eta vs tors. theta energy: -125.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1371.218472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.218472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.218472 (E_RNA) where: Base-Base interactions energy: -928.807 where: short stacking energy: -377.961 Base-Backbone interact. energy: -0.452 local terms energy: -441.959275 where: bonds (distance) C4'-P energy: -79.926 bonds (distance) P-C4' energy: -105.600 flat angles C4'-P-C4' energy: -105.397 flat angles P-C4'-P energy: -67.121 tors. eta vs tors. theta energy: -83.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1160.559421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.559421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.559421 (E_RNA) where: Base-Base interactions energy: -723.076 where: short stacking energy: -336.397 Base-Backbone interact. energy: -0.839 local terms energy: -436.644885 where: bonds (distance) C4'-P energy: -86.078 bonds (distance) P-C4' energy: -107.724 flat angles C4'-P-C4' energy: -104.628 flat angles P-C4'-P energy: -69.040 tors. eta vs tors. theta energy: -69.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -747.748756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.748756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.748756 (E_RNA) where: Base-Base interactions energy: -411.193 where: short stacking energy: -238.870 Base-Backbone interact. energy: -1.930 local terms energy: -334.626034 where: bonds (distance) C4'-P energy: -86.848 bonds (distance) P-C4' energy: -91.995 flat angles C4'-P-C4' energy: -86.660 flat angles P-C4'-P energy: -47.389 tors. eta vs tors. theta energy: -21.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -561.083456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.083456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.083456 (E_RNA) where: Base-Base interactions energy: -232.772 where: short stacking energy: -163.658 Base-Backbone interact. energy: 1.450 local terms energy: -329.761428 where: bonds (distance) C4'-P energy: -97.981 bonds (distance) P-C4' energy: -113.366 flat angles C4'-P-C4' energy: -81.147 flat angles P-C4'-P energy: -37.557 tors. eta vs tors. theta energy: 0.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -547.004128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.004128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.004128 (E_RNA) where: Base-Base interactions energy: -196.027 where: short stacking energy: -146.622 Base-Backbone interact. energy: -0.297 local terms energy: -350.679868 where: bonds (distance) C4'-P energy: -102.816 bonds (distance) P-C4' energy: -104.293 flat angles C4'-P-C4' energy: -100.859 flat angles P-C4'-P energy: -34.992 tors. eta vs tors. theta energy: -7.720 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: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -426.742048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.742048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.742048 (E_RNA) where: Base-Base interactions energy: -169.563 where: short stacking energy: -134.612 Base-Backbone interact. energy: -2.009 local terms energy: -255.170001 where: bonds (distance) C4'-P energy: -78.984 bonds (distance) P-C4' energy: -92.904 flat angles C4'-P-C4' energy: -67.598 flat angles P-C4'-P energy: -26.100 tors. eta vs tors. theta energy: 10.415 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: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1887.675180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.675180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.675180 (E_RNA) where: Base-Base interactions energy: -1290.683 where: short stacking energy: -563.621 Base-Backbone interact. energy: -1.606 local terms energy: -595.385572 where: bonds (distance) C4'-P energy: -121.566 bonds (distance) P-C4' energy: -117.153 flat angles C4'-P-C4' energy: -116.288 flat angles P-C4'-P energy: -73.850 tors. eta vs tors. theta energy: -166.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1705.485642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.485642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.485642 (E_RNA) where: Base-Base interactions energy: -1126.380 where: short stacking energy: -499.742 Base-Backbone interact. energy: -5.392 local terms energy: -573.713568 where: bonds (distance) C4'-P energy: -111.203 bonds (distance) P-C4' energy: -108.142 flat angles C4'-P-C4' energy: -128.870 flat angles P-C4'-P energy: -71.707 tors. eta vs tors. theta energy: -153.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1565.194645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.194645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.194645 (E_RNA) where: Base-Base interactions energy: -1056.338 where: short stacking energy: -446.836 Base-Backbone interact. energy: -1.664 local terms energy: -507.192763 where: bonds (distance) C4'-P energy: -99.192 bonds (distance) P-C4' energy: -103.686 flat angles C4'-P-C4' energy: -98.265 flat angles P-C4'-P energy: -76.078 tors. eta vs tors. theta energy: -129.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1456.548031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.548031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.548031 (E_RNA) where: Base-Base interactions energy: -939.458 where: short stacking energy: -435.265 Base-Backbone interact. energy: 0.705 local terms energy: -517.795346 where: bonds (distance) C4'-P energy: -90.422 bonds (distance) P-C4' energy: -107.821 flat angles C4'-P-C4' energy: -114.833 flat angles P-C4'-P energy: -75.294 tors. eta vs tors. theta energy: -129.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1364.390800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.390800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.390800 (E_RNA) where: Base-Base interactions energy: -871.029 where: short stacking energy: -364.630 Base-Backbone interact. energy: -0.244 local terms energy: -493.117251 where: bonds (distance) C4'-P energy: -97.796 bonds (distance) P-C4' energy: -111.612 flat angles C4'-P-C4' energy: -116.493 flat angles P-C4'-P energy: -70.553 tors. eta vs tors. theta energy: -96.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1145.554381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.554381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.554381 (E_RNA) where: Base-Base interactions energy: -697.576 where: short stacking energy: -339.838 Base-Backbone interact. energy: -0.248 local terms energy: -447.730196 where: bonds (distance) C4'-P energy: -90.568 bonds (distance) P-C4' energy: -95.289 flat angles C4'-P-C4' energy: -114.002 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: -80.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -833.096488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.096488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.096488 (E_RNA) where: Base-Base interactions energy: -460.499 where: short stacking energy: -210.672 Base-Backbone interact. energy: -2.628 local terms energy: -369.969616 where: bonds (distance) C4'-P energy: -94.807 bonds (distance) P-C4' energy: -106.913 flat angles C4'-P-C4' energy: -91.553 flat angles P-C4'-P energy: -52.739 tors. eta vs tors. theta energy: -23.957 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: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -582.240126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.240126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.240126 (E_RNA) where: Base-Base interactions energy: -261.527 where: short stacking energy: -155.598 Base-Backbone interact. energy: -1.101 local terms energy: -319.612784 where: bonds (distance) C4'-P energy: -102.791 bonds (distance) P-C4' energy: -105.139 flat angles C4'-P-C4' energy: -82.267 flat angles P-C4'-P energy: -39.954 tors. eta vs tors. theta energy: 10.539 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: 107 Temperature: 1.300000 Total energy: -551.043326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.043326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.043326 (E_RNA) where: Base-Base interactions energy: -216.189 where: short stacking energy: -134.806 Base-Backbone interact. energy: -3.656 local terms energy: -331.197896 where: bonds (distance) C4'-P energy: -92.779 bonds (distance) P-C4' energy: -109.672 flat angles C4'-P-C4' energy: -66.496 flat angles P-C4'-P energy: -63.359 tors. eta vs tors. theta energy: 1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -434.216797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.216797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.216797 (E_RNA) where: Base-Base interactions energy: -168.279 where: short stacking energy: -121.690 Base-Backbone interact. energy: 4.288 local terms energy: -270.225441 where: bonds (distance) C4'-P energy: -87.427 bonds (distance) P-C4' energy: -90.620 flat angles C4'-P-C4' energy: -84.036 flat angles P-C4'-P energy: -37.797 tors. eta vs tors. theta energy: 29.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1887.303612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.303612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.303612 (E_RNA) where: Base-Base interactions energy: -1272.494 where: short stacking energy: -551.215 Base-Backbone interact. energy: -2.043 local terms energy: -612.767495 where: bonds (distance) C4'-P energy: -120.706 bonds (distance) P-C4' energy: -116.752 flat angles C4'-P-C4' energy: -122.702 flat angles P-C4'-P energy: -88.567 tors. eta vs tors. theta energy: -164.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1704.515485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.515485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.515485 (E_RNA) where: Base-Base interactions energy: -1130.127 where: short stacking energy: -494.661 Base-Backbone interact. energy: -5.903 local terms energy: -568.485474 where: bonds (distance) C4'-P energy: -101.765 bonds (distance) P-C4' energy: -107.315 flat angles C4'-P-C4' energy: -128.419 flat angles P-C4'-P energy: -87.631 tors. eta vs tors. theta energy: -143.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1552.472727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.472727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.472727 (E_RNA) where: Base-Base interactions energy: -1007.762 where: short stacking energy: -457.763 Base-Backbone interact. energy: -3.827 local terms energy: -540.884106 where: bonds (distance) C4'-P energy: -106.321 bonds (distance) P-C4' energy: -109.301 flat angles C4'-P-C4' energy: -120.226 flat angles P-C4'-P energy: -71.952 tors. eta vs tors. theta energy: -133.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1438.714009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.714009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.714009 (E_RNA) where: Base-Base interactions energy: -934.765 where: short stacking energy: -421.219 Base-Backbone interact. energy: -0.352 local terms energy: -503.596606 where: bonds (distance) C4'-P energy: -91.723 bonds (distance) P-C4' energy: -105.183 flat angles C4'-P-C4' energy: -113.940 flat angles P-C4'-P energy: -72.621 tors. eta vs tors. theta energy: -120.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1395.253525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.253525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.253525 (E_RNA) where: Base-Base interactions energy: -929.298 where: short stacking energy: -393.317 Base-Backbone interact. energy: 4.999 local terms energy: -470.954156 where: bonds (distance) C4'-P energy: -99.160 bonds (distance) P-C4' energy: -111.250 flat angles C4'-P-C4' energy: -113.855 flat angles P-C4'-P energy: -64.211 tors. eta vs tors. theta energy: -82.479 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: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1130.181324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.181324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.181324 (E_RNA) where: Base-Base interactions energy: -705.048 where: short stacking energy: -312.275 Base-Backbone interact. energy: -1.842 local terms energy: -423.291874 where: bonds (distance) C4'-P energy: -82.864 bonds (distance) P-C4' energy: -115.656 flat angles C4'-P-C4' energy: -108.405 flat angles P-C4'-P energy: -39.586 tors. eta vs tors. theta energy: -76.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -810.221021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.221021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.221021 (E_RNA) where: Base-Base interactions energy: -457.531 where: short stacking energy: -236.400 Base-Backbone interact. energy: -1.029 local terms energy: -351.661187 where: bonds (distance) C4'-P energy: -85.238 bonds (distance) P-C4' energy: -88.624 flat angles C4'-P-C4' energy: -87.801 flat angles P-C4'-P energy: -56.182 tors. eta vs tors. theta energy: -33.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -653.563333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.563333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.563333 (E_RNA) where: Base-Base interactions energy: -299.944 where: short stacking energy: -197.989 Base-Backbone interact. energy: 2.898 local terms energy: -356.517243 where: bonds (distance) C4'-P energy: -107.113 bonds (distance) P-C4' energy: -102.150 flat angles C4'-P-C4' energy: -87.730 flat angles P-C4'-P energy: -47.828 tors. eta vs tors. theta energy: -11.696 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: 108 Temperature: 1.300000 Total energy: -566.588938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.588938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.588938 (E_RNA) where: Base-Base interactions energy: -252.141 where: short stacking energy: -126.013 Base-Backbone interact. energy: 0.668 local terms energy: -315.115962 where: bonds (distance) C4'-P energy: -85.071 bonds (distance) P-C4' energy: -95.794 flat angles C4'-P-C4' energy: -96.015 flat angles P-C4'-P energy: -58.374 tors. eta vs tors. theta energy: 20.138 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: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -441.922340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.922340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.922340 (E_RNA) where: Base-Base interactions energy: -148.894 where: short stacking energy: -128.778 Base-Backbone interact. energy: 2.811 local terms energy: -295.839664 where: bonds (distance) C4'-P energy: -90.032 bonds (distance) P-C4' energy: -90.949 flat angles C4'-P-C4' energy: -88.282 flat angles P-C4'-P energy: -31.935 tors. eta vs tors. theta energy: 5.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1863.267139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.267139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.267139 (E_RNA) where: Base-Base interactions energy: -1258.507 where: short stacking energy: -543.987 Base-Backbone interact. energy: -1.739 local terms energy: -603.021529 where: bonds (distance) C4'-P energy: -108.261 bonds (distance) P-C4' energy: -113.256 flat angles C4'-P-C4' energy: -132.658 flat angles P-C4'-P energy: -86.463 tors. eta vs tors. theta energy: -162.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1698.179080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.179080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.179080 (E_RNA) where: Base-Base interactions energy: -1123.165 where: short stacking energy: -483.128 Base-Backbone interact. energy: 1.040 local terms energy: -576.054315 where: bonds (distance) C4'-P energy: -114.211 bonds (distance) P-C4' energy: -112.742 flat angles C4'-P-C4' energy: -127.022 flat angles P-C4'-P energy: -85.403 tors. eta vs tors. theta energy: -136.676 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: 1 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1581.340263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.340263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.340263 (E_RNA) where: Base-Base interactions energy: -1041.665 where: short stacking energy: -457.116 Base-Backbone interact. energy: -3.813 local terms energy: -535.862504 where: bonds (distance) C4'-P energy: -106.791 bonds (distance) P-C4' energy: -101.148 flat angles C4'-P-C4' energy: -118.748 flat angles P-C4'-P energy: -70.808 tors. eta vs tors. theta energy: -138.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1422.273681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.273681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.273681 (E_RNA) where: Base-Base interactions energy: -943.332 where: short stacking energy: -415.752 Base-Backbone interact. energy: 4.621 local terms energy: -483.562480 where: bonds (distance) C4'-P energy: -89.979 bonds (distance) P-C4' energy: -108.950 flat angles C4'-P-C4' energy: -110.196 flat angles P-C4'-P energy: -67.736 tors. eta vs tors. theta energy: -106.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1348.799785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.799785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.799785 (E_RNA) where: Base-Base interactions energy: -902.315 where: short stacking energy: -389.322 Base-Backbone interact. energy: -1.722 local terms energy: -444.762954 where: bonds (distance) C4'-P energy: -88.115 bonds (distance) P-C4' energy: -97.112 flat angles C4'-P-C4' energy: -102.070 flat angles P-C4'-P energy: -68.971 tors. eta vs tors. theta energy: -88.495 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: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1079.565531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.565531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.565531 (E_RNA) where: Base-Base interactions energy: -685.917 where: short stacking energy: -310.455 Base-Backbone interact. energy: 1.289 local terms energy: -394.937346 where: bonds (distance) C4'-P energy: -85.387 bonds (distance) P-C4' energy: -98.602 flat angles C4'-P-C4' energy: -100.551 flat angles P-C4'-P energy: -48.764 tors. eta vs tors. theta energy: -61.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -867.067455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.067455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.067455 (E_RNA) where: Base-Base interactions energy: -460.119 where: short stacking energy: -236.861 Base-Backbone interact. energy: -1.559 local terms energy: -405.389088 where: bonds (distance) C4'-P energy: -87.647 bonds (distance) P-C4' energy: -93.142 flat angles C4'-P-C4' energy: -113.418 flat angles P-C4'-P energy: -59.155 tors. eta vs tors. theta energy: -52.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -648.284980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.284980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.284980 (E_RNA) where: Base-Base interactions energy: -309.046 where: short stacking energy: -203.464 Base-Backbone interact. energy: -0.516 local terms energy: -338.723536 where: bonds (distance) C4'-P energy: -86.165 bonds (distance) P-C4' energy: -82.892 flat angles C4'-P-C4' energy: -98.227 flat angles P-C4'-P energy: -44.008 tors. eta vs tors. theta energy: -27.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -597.673074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.673074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.673074 (E_RNA) where: Base-Base interactions energy: -276.774 where: short stacking energy: -160.212 Base-Backbone interact. energy: 3.265 local terms energy: -324.164133 where: bonds (distance) C4'-P energy: -78.161 bonds (distance) P-C4' energy: -88.115 flat angles C4'-P-C4' energy: -81.411 flat angles P-C4'-P energy: -68.379 tors. eta vs tors. theta energy: -8.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -421.778687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.778687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.778687 (E_RNA) where: Base-Base interactions energy: -164.985 where: short stacking energy: -118.459 Base-Backbone interact. energy: 3.552 local terms energy: -260.346024 where: bonds (distance) C4'-P energy: -89.962 bonds (distance) P-C4' energy: -87.410 flat angles C4'-P-C4' energy: -78.483 flat angles P-C4'-P energy: -26.836 tors. eta vs tors. theta energy: 22.345 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: 110 Temperature: 0.900000 Total energy: -1897.105314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.105314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.105314 (E_RNA) where: Base-Base interactions energy: -1293.487 where: short stacking energy: -567.697 Base-Backbone interact. energy: -2.091 local terms energy: -601.527841 where: bonds (distance) C4'-P energy: -119.167 bonds (distance) P-C4' energy: -109.108 flat angles C4'-P-C4' energy: -117.654 flat angles P-C4'-P energy: -91.830 tors. eta vs tors. theta energy: -163.769 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: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1717.465208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.465208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.465208 (E_RNA) where: Base-Base interactions energy: -1172.003 where: short stacking energy: -485.620 Base-Backbone interact. energy: 3.246 local terms energy: -548.708883 where: bonds (distance) C4'-P energy: -111.304 bonds (distance) P-C4' energy: -113.494 flat angles C4'-P-C4' energy: -115.053 flat angles P-C4'-P energy: -74.259 tors. eta vs tors. theta energy: -134.599 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: 1 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1595.247043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.247043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.247043 (E_RNA) where: Base-Base interactions energy: -1056.559 where: short stacking energy: -443.870 Base-Backbone interact. energy: -2.396 local terms energy: -536.292008 where: bonds (distance) C4'-P energy: -100.533 bonds (distance) P-C4' energy: -109.584 flat angles C4'-P-C4' energy: -120.874 flat angles P-C4'-P energy: -70.611 tors. eta vs tors. theta energy: -134.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1466.426853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.426853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.426853 (E_RNA) where: Base-Base interactions energy: -952.475 where: short stacking energy: -410.329 Base-Backbone interact. energy: -1.275 local terms energy: -512.676799 where: bonds (distance) C4'-P energy: -105.363 bonds (distance) P-C4' energy: -107.597 flat angles C4'-P-C4' energy: -111.700 flat angles P-C4'-P energy: -75.385 tors. eta vs tors. theta energy: -112.632 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: 110 Temperature: 1.100000 Total energy: -1365.476520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.476520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.476520 (E_RNA) where: Base-Base interactions energy: -906.395 where: short stacking energy: -395.314 Base-Backbone interact. energy: -1.630 local terms energy: -457.451630 where: bonds (distance) C4'-P energy: -92.590 bonds (distance) P-C4' energy: -107.759 flat angles C4'-P-C4' energy: -98.273 flat angles P-C4'-P energy: -55.137 tors. eta vs tors. theta energy: -103.693 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: 6 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1040.970328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.970328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.970328 (E_RNA) where: Base-Base interactions energy: -634.115 where: short stacking energy: -303.850 Base-Backbone interact. energy: 0.793 local terms energy: -407.648796 where: bonds (distance) C4'-P energy: -86.283 bonds (distance) P-C4' energy: -100.430 flat angles C4'-P-C4' energy: -95.772 flat angles P-C4'-P energy: -60.638 tors. eta vs tors. theta energy: -64.526 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: 110 Temperature: 1.200000 Total energy: -878.618408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.618408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.618408 (E_RNA) where: Base-Base interactions energy: -498.480 where: short stacking energy: -262.181 Base-Backbone interact. energy: -1.102 local terms energy: -379.035950 where: bonds (distance) C4'-P energy: -97.206 bonds (distance) P-C4' energy: -103.617 flat angles C4'-P-C4' energy: -106.790 flat angles P-C4'-P energy: -43.594 tors. eta vs tors. theta energy: -27.828 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: 4 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -607.949658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.949658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.949658 (E_RNA) where: Base-Base interactions energy: -284.610 where: short stacking energy: -174.166 Base-Backbone interact. energy: 1.964 local terms energy: -325.303667 where: bonds (distance) C4'-P energy: -101.402 bonds (distance) P-C4' energy: -96.502 flat angles C4'-P-C4' energy: -79.900 flat angles P-C4'-P energy: -44.969 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -574.154777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.154777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.154777 (E_RNA) where: Base-Base interactions energy: -261.792 where: short stacking energy: -142.817 Base-Backbone interact. energy: 0.254 local terms energy: -312.617005 where: bonds (distance) C4'-P energy: -75.170 bonds (distance) P-C4' energy: -104.735 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -59.781 tors. eta vs tors. theta energy: -0.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -465.032204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.032204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.032204 (E_RNA) where: Base-Base interactions energy: -166.042 where: short stacking energy: -147.025 Base-Backbone interact. energy: 0.647 local terms energy: -299.637407 where: bonds (distance) C4'-P energy: -85.044 bonds (distance) P-C4' energy: -92.762 flat angles C4'-P-C4' energy: -75.120 flat angles P-C4'-P energy: -47.139 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: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1858.500260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.500260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.500260 (E_RNA) where: Base-Base interactions energy: -1278.144 where: short stacking energy: -556.900 Base-Backbone interact. energy: 1.803 local terms energy: -582.159046 where: bonds (distance) C4'-P energy: -96.517 bonds (distance) P-C4' energy: -107.006 flat angles C4'-P-C4' energy: -130.189 flat angles P-C4'-P energy: -80.250 tors. eta vs tors. theta energy: -168.196 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: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1704.240939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.240939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.240939 (E_RNA) where: Base-Base interactions energy: -1176.813 where: short stacking energy: -480.650 Base-Backbone interact. energy: -2.139 local terms energy: -525.289603 where: bonds (distance) C4'-P energy: -111.964 bonds (distance) P-C4' energy: -98.997 flat angles C4'-P-C4' energy: -112.878 flat angles P-C4'-P energy: -72.920 tors. eta vs tors. theta energy: -128.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1575.229364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.229364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.229364 (E_RNA) where: Base-Base interactions energy: -1047.277 where: short stacking energy: -474.092 Base-Backbone interact. energy: -2.911 local terms energy: -525.041467 where: bonds (distance) C4'-P energy: -94.786 bonds (distance) P-C4' energy: -100.923 flat angles C4'-P-C4' energy: -132.052 flat angles P-C4'-P energy: -70.183 tors. eta vs tors. theta energy: -127.098 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: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1487.355739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.355739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.355739 (E_RNA) where: Base-Base interactions energy: -948.366 where: short stacking energy: -431.337 Base-Backbone interact. energy: -2.817 local terms energy: -536.173069 where: bonds (distance) C4'-P energy: -114.329 bonds (distance) P-C4' energy: -118.070 flat angles C4'-P-C4' energy: -114.714 flat angles P-C4'-P energy: -60.068 tors. eta vs tors. theta energy: -128.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1352.782881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.782881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.782881 (E_RNA) where: Base-Base interactions energy: -869.151 where: short stacking energy: -363.888 Base-Backbone interact. energy: -2.471 local terms energy: -481.160941 where: bonds (distance) C4'-P energy: -96.995 bonds (distance) P-C4' energy: -107.969 flat angles C4'-P-C4' energy: -108.421 flat angles P-C4'-P energy: -66.673 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: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1067.718744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.718744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.718744 (E_RNA) where: Base-Base interactions energy: -678.905 where: short stacking energy: -302.043 Base-Backbone interact. energy: -3.718 local terms energy: -385.095676 where: bonds (distance) C4'-P energy: -66.687 bonds (distance) P-C4' energy: -115.780 flat angles C4'-P-C4' energy: -108.412 flat angles P-C4'-P energy: -50.179 tors. eta vs tors. theta energy: -44.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -833.813876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.813876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.813876 (E_RNA) where: Base-Base interactions energy: -458.498 where: short stacking energy: -235.093 Base-Backbone interact. energy: -0.643 local terms energy: -374.673190 where: bonds (distance) C4'-P energy: -89.134 bonds (distance) P-C4' energy: -113.308 flat angles C4'-P-C4' energy: -79.509 flat angles P-C4'-P energy: -65.845 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: 8, replica: 4 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -586.361734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.361734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.361734 (E_RNA) where: Base-Base interactions energy: -258.140 where: short stacking energy: -185.981 Base-Backbone interact. energy: -2.477 local terms energy: -325.744143 where: bonds (distance) C4'-P energy: -73.474 bonds (distance) P-C4' energy: -104.685 flat angles C4'-P-C4' energy: -87.665 flat angles P-C4'-P energy: -53.720 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: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -493.454678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.454678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.454678 (E_RNA) where: Base-Base interactions energy: -192.491 where: short stacking energy: -140.418 Base-Backbone interact. energy: -1.458 local terms energy: -299.505609 where: bonds (distance) C4'-P energy: -94.492 bonds (distance) P-C4' energy: -85.579 flat angles C4'-P-C4' energy: -72.938 flat angles P-C4'-P energy: -60.254 tors. eta vs tors. theta energy: 13.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -472.833825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.833825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.833825 (E_RNA) where: Base-Base interactions energy: -177.512 where: short stacking energy: -132.957 Base-Backbone interact. energy: -2.637 local terms energy: -292.684844 where: bonds (distance) C4'-P energy: -91.744 bonds (distance) P-C4' energy: -96.731 flat angles C4'-P-C4' energy: -65.214 flat angles P-C4'-P energy: -46.459 tors. eta vs tors. theta energy: 7.462 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: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1855.401361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.401361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.401361 (E_RNA) where: Base-Base interactions energy: -1262.216 where: short stacking energy: -557.030 Base-Backbone interact. energy: -0.764 local terms energy: -592.421361 where: bonds (distance) C4'-P energy: -109.441 bonds (distance) P-C4' energy: -110.866 flat angles C4'-P-C4' energy: -129.511 flat angles P-C4'-P energy: -73.055 tors. eta vs tors. theta energy: -169.549 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: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1694.360137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.360137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.360137 (E_RNA) where: Base-Base interactions energy: -1168.334 where: short stacking energy: -490.554 Base-Backbone interact. energy: -4.287 local terms energy: -521.738968 where: bonds (distance) C4'-P energy: -97.536 bonds (distance) P-C4' energy: -110.618 flat angles C4'-P-C4' energy: -104.495 flat angles P-C4'-P energy: -74.572 tors. eta vs tors. theta energy: -134.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1562.419674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.419674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.419674 (E_RNA) where: Base-Base interactions energy: -1048.228 where: short stacking energy: -478.253 Base-Backbone interact. energy: -3.395 local terms energy: -510.796833 where: bonds (distance) C4'-P energy: -97.141 bonds (distance) P-C4' energy: -96.585 flat angles C4'-P-C4' energy: -123.767 flat angles P-C4'-P energy: -68.893 tors. eta vs tors. theta energy: -124.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1454.063531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.063531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.063531 (E_RNA) where: Base-Base interactions energy: -951.702 where: short stacking energy: -444.220 Base-Backbone interact. energy: -1.055 local terms energy: -501.306604 where: bonds (distance) C4'-P energy: -108.519 bonds (distance) P-C4' energy: -99.937 flat angles C4'-P-C4' energy: -103.461 flat angles P-C4'-P energy: -64.640 tors. eta vs tors. theta energy: -124.750 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: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1360.602983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.602983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.602983 (E_RNA) where: Base-Base interactions energy: -909.960 where: short stacking energy: -399.051 Base-Backbone interact. energy: 0.776 local terms energy: -451.419736 where: bonds (distance) C4'-P energy: -82.497 bonds (distance) P-C4' energy: -98.772 flat angles C4'-P-C4' energy: -95.000 flat angles P-C4'-P energy: -71.291 tors. eta vs tors. theta energy: -103.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1050.997300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.997300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.997300 (E_RNA) where: Base-Base interactions energy: -629.285 where: short stacking energy: -298.440 Base-Backbone interact. energy: -1.259 local terms energy: -420.453254 where: bonds (distance) C4'-P energy: -85.883 bonds (distance) P-C4' energy: -109.966 flat angles C4'-P-C4' energy: -95.481 flat angles P-C4'-P energy: -69.006 tors. eta vs tors. theta energy: -60.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -758.624574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.624574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.624574 (E_RNA) where: Base-Base interactions energy: -377.547 where: short stacking energy: -183.406 Base-Backbone interact. energy: -3.048 local terms energy: -378.029356 where: bonds (distance) C4'-P energy: -86.866 bonds (distance) P-C4' energy: -121.749 flat angles C4'-P-C4' energy: -94.240 flat angles P-C4'-P energy: -51.082 tors. eta vs tors. theta energy: -24.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -547.702883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.702883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.702883 (E_RNA) where: Base-Base interactions energy: -219.205 where: short stacking energy: -138.957 Base-Backbone interact. energy: -2.388 local terms energy: -326.109681 where: bonds (distance) C4'-P energy: -108.481 bonds (distance) P-C4' energy: -89.868 flat angles C4'-P-C4' energy: -94.187 flat angles P-C4'-P energy: -54.900 tors. eta vs tors. theta energy: 21.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -455.303017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.303017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.303017 (E_RNA) where: Base-Base interactions energy: -153.543 where: short stacking energy: -126.901 Base-Backbone interact. energy: -2.208 local terms energy: -299.551285 where: bonds (distance) C4'-P energy: -89.220 bonds (distance) P-C4' energy: -86.721 flat angles C4'-P-C4' energy: -73.990 flat angles P-C4'-P energy: -65.035 tors. eta vs tors. theta energy: 15.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -422.763969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.763969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.763969 (E_RNA) where: Base-Base interactions energy: -149.673 where: short stacking energy: -94.887 Base-Backbone interact. energy: -0.070 local terms energy: -273.020595 where: bonds (distance) C4'-P energy: -70.407 bonds (distance) P-C4' energy: -114.330 flat angles C4'-P-C4' energy: -69.938 flat angles P-C4'-P energy: -46.022 tors. eta vs tors. theta energy: 27.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1858.173146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.173146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.173146 (E_RNA) where: Base-Base interactions energy: -1263.071 where: short stacking energy: -545.389 Base-Backbone interact. energy: -2.514 local terms energy: -592.588059 where: bonds (distance) C4'-P energy: -110.096 bonds (distance) P-C4' energy: -107.455 flat angles C4'-P-C4' energy: -121.040 flat angles P-C4'-P energy: -94.393 tors. eta vs tors. theta energy: -159.604 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: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1693.607149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.607149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.607149 (E_RNA) where: Base-Base interactions energy: -1142.678 where: short stacking energy: -461.269 Base-Backbone interact. energy: -3.837 local terms energy: -547.091678 where: bonds (distance) C4'-P energy: -110.386 bonds (distance) P-C4' energy: -116.014 flat angles C4'-P-C4' energy: -121.157 flat angles P-C4'-P energy: -74.202 tors. eta vs tors. theta energy: -125.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1568.286287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.286287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.286287 (E_RNA) where: Base-Base interactions energy: -1034.135 where: short stacking energy: -445.287 Base-Backbone interact. energy: -2.655 local terms energy: -531.496142 where: bonds (distance) C4'-P energy: -112.095 bonds (distance) P-C4' energy: -107.352 flat angles C4'-P-C4' energy: -108.726 flat angles P-C4'-P energy: -75.272 tors. eta vs tors. theta energy: -128.051 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: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1447.964037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.964037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.964037 (E_RNA) where: Base-Base interactions energy: -931.563 where: short stacking energy: -433.505 Base-Backbone interact. energy: 6.961 local terms energy: -523.362398 where: bonds (distance) C4'-P energy: -114.575 bonds (distance) P-C4' energy: -109.659 flat angles C4'-P-C4' energy: -110.974 flat angles P-C4'-P energy: -68.558 tors. eta vs tors. theta energy: -119.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1348.441332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.441332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.441332 (E_RNA) where: Base-Base interactions energy: -890.843 where: short stacking energy: -384.140 Base-Backbone interact. energy: -0.409 local terms energy: -457.189186 where: bonds (distance) C4'-P energy: -86.381 bonds (distance) P-C4' energy: -104.429 flat angles C4'-P-C4' energy: -113.725 flat angles P-C4'-P energy: -64.575 tors. eta vs tors. theta energy: -88.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1091.979002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.979002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.979002 (E_RNA) where: Base-Base interactions energy: -658.543 where: short stacking energy: -330.143 Base-Backbone interact. energy: -1.530 local terms energy: -431.906100 where: bonds (distance) C4'-P energy: -96.648 bonds (distance) P-C4' energy: -98.668 flat angles C4'-P-C4' energy: -107.979 flat angles P-C4'-P energy: -59.616 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: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -771.496573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.496573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.496573 (E_RNA) where: Base-Base interactions energy: -407.365 where: short stacking energy: -217.036 Base-Backbone interact. energy: 2.022 local terms energy: -366.153072 where: bonds (distance) C4'-P energy: -89.051 bonds (distance) P-C4' energy: -109.296 flat angles C4'-P-C4' energy: -96.760 flat angles P-C4'-P energy: -56.692 tors. eta vs tors. theta energy: -14.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -603.531115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.531115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.531115 (E_RNA) where: Base-Base interactions energy: -255.829 where: short stacking energy: -180.084 Base-Backbone interact. energy: -4.122 local terms energy: -343.580047 where: bonds (distance) C4'-P energy: -88.549 bonds (distance) P-C4' energy: -85.237 flat angles C4'-P-C4' energy: -99.715 flat angles P-C4'-P energy: -51.752 tors. eta vs tors. theta energy: -18.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -499.815825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.815825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.815825 (E_RNA) where: Base-Base interactions energy: -210.426 where: short stacking energy: -175.190 Base-Backbone interact. energy: -1.230 local terms energy: -288.160313 where: bonds (distance) C4'-P energy: -89.479 bonds (distance) P-C4' energy: -87.324 flat angles C4'-P-C4' energy: -76.092 flat angles P-C4'-P energy: -48.903 tors. eta vs tors. theta energy: 13.637 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: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -447.173621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.173621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.173621 (E_RNA) where: Base-Base interactions energy: -136.897 where: short stacking energy: -115.524 Base-Backbone interact. energy: 2.896 local terms energy: -313.173001 where: bonds (distance) C4'-P energy: -91.521 bonds (distance) P-C4' energy: -92.228 flat angles C4'-P-C4' energy: -80.649 flat angles P-C4'-P energy: -61.478 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: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1876.390494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.390494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.390494 (E_RNA) where: Base-Base interactions energy: -1290.375 where: short stacking energy: -541.529 Base-Backbone interact. energy: -1.555 local terms energy: -584.460809 where: bonds (distance) C4'-P energy: -112.548 bonds (distance) P-C4' energy: -108.228 flat angles C4'-P-C4' energy: -126.671 flat angles P-C4'-P energy: -79.081 tors. eta vs tors. theta energy: -157.933 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: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1705.245574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.245574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.245574 (E_RNA) where: Base-Base interactions energy: -1167.476 where: short stacking energy: -495.830 Base-Backbone interact. energy: -1.345 local terms energy: -536.424533 where: bonds (distance) C4'-P energy: -96.510 bonds (distance) P-C4' energy: -103.906 flat angles C4'-P-C4' energy: -125.515 flat angles P-C4'-P energy: -78.130 tors. eta vs tors. theta energy: -132.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1508.506333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.506333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.506333 (E_RNA) where: Base-Base interactions energy: -974.831 where: short stacking energy: -420.784 Base-Backbone interact. energy: 1.398 local terms energy: -535.073488 where: bonds (distance) C4'-P energy: -112.799 bonds (distance) P-C4' energy: -111.485 flat angles C4'-P-C4' energy: -110.230 flat angles P-C4'-P energy: -75.519 tors. eta vs tors. theta energy: -125.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1443.395791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.395791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.395791 (E_RNA) where: Base-Base interactions energy: -912.137 where: short stacking energy: -436.687 Base-Backbone interact. energy: -0.879 local terms energy: -530.379490 where: bonds (distance) C4'-P energy: -109.511 bonds (distance) P-C4' energy: -104.998 flat angles C4'-P-C4' energy: -122.876 flat angles P-C4'-P energy: -78.054 tors. eta vs tors. theta energy: -114.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1369.743414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.743414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.743414 (E_RNA) where: Base-Base interactions energy: -902.726 where: short stacking energy: -385.336 Base-Backbone interact. energy: -1.357 local terms energy: -465.659936 where: bonds (distance) C4'-P energy: -94.568 bonds (distance) P-C4' energy: -96.646 flat angles C4'-P-C4' energy: -110.187 flat angles P-C4'-P energy: -71.712 tors. eta vs tors. theta energy: -92.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1095.474551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.474551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.474551 (E_RNA) where: Base-Base interactions energy: -678.342 where: short stacking energy: -305.413 Base-Backbone interact. energy: -1.503 local terms energy: -415.629776 where: bonds (distance) C4'-P energy: -89.940 bonds (distance) P-C4' energy: -94.858 flat angles C4'-P-C4' energy: -105.812 flat angles P-C4'-P energy: -63.640 tors. eta vs tors. theta energy: -61.379 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: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -816.526024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.526024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.526024 (E_RNA) where: Base-Base interactions energy: -461.592 where: short stacking energy: -226.651 Base-Backbone interact. energy: -1.144 local terms energy: -353.789515 where: bonds (distance) C4'-P energy: -88.029 bonds (distance) P-C4' energy: -79.171 flat angles C4'-P-C4' energy: -80.270 flat angles P-C4'-P energy: -74.302 tors. eta vs tors. theta energy: -32.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -574.210572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.210572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.210572 (E_RNA) where: Base-Base interactions energy: -255.610 where: short stacking energy: -151.428 Base-Backbone interact. energy: -0.577 local terms energy: -318.023175 where: bonds (distance) C4'-P energy: -83.559 bonds (distance) P-C4' energy: -101.365 flat angles C4'-P-C4' energy: -82.172 flat angles P-C4'-P energy: -53.911 tors. eta vs tors. theta energy: 2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -455.222684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.222684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.222684 (E_RNA) where: Base-Base interactions energy: -151.740 where: short stacking energy: -108.627 Base-Backbone interact. energy: -0.912 local terms energy: -302.570814 where: bonds (distance) C4'-P energy: -67.248 bonds (distance) P-C4' energy: -102.218 flat angles C4'-P-C4' energy: -88.552 flat angles P-C4'-P energy: -52.686 tors. eta vs tors. theta energy: 8.134 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: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -418.566484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.566484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.566484 (E_RNA) where: Base-Base interactions energy: -161.774 where: short stacking energy: -111.143 Base-Backbone interact. energy: 1.300 local terms energy: -258.092981 where: bonds (distance) C4'-P energy: -92.001 bonds (distance) P-C4' energy: -83.827 flat angles C4'-P-C4' energy: -81.296 flat angles P-C4'-P energy: -25.891 tors. eta vs tors. theta energy: 24.922 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: 1, replica: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1877.522514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.522514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.522514 (E_RNA) where: Base-Base interactions energy: -1286.442 where: short stacking energy: -525.979 Base-Backbone interact. energy: -2.306 local terms energy: -588.774509 where: bonds (distance) C4'-P energy: -101.426 bonds (distance) P-C4' energy: -114.717 flat angles C4'-P-C4' energy: -126.095 flat angles P-C4'-P energy: -84.211 tors. eta vs tors. theta energy: -162.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1670.632140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.632140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.632140 (E_RNA) where: Base-Base interactions energy: -1141.291 where: short stacking energy: -480.902 Base-Backbone interact. energy: 2.250 local terms energy: -531.591144 where: bonds (distance) C4'-P energy: -103.806 bonds (distance) P-C4' energy: -107.252 flat angles C4'-P-C4' energy: -114.983 flat angles P-C4'-P energy: -72.412 tors. eta vs tors. theta energy: -133.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1585.317896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.317896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.317896 (E_RNA) where: Base-Base interactions energy: -1051.950 where: short stacking energy: -476.645 Base-Backbone interact. energy: -5.004 local terms energy: -528.363991 where: bonds (distance) C4'-P energy: -111.110 bonds (distance) P-C4' energy: -107.049 flat angles C4'-P-C4' energy: -122.334 flat angles P-C4'-P energy: -65.216 tors. eta vs tors. theta energy: -122.656 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: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1437.510570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.510570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.510570 (E_RNA) where: Base-Base interactions energy: -930.410 where: short stacking energy: -436.980 Base-Backbone interact. energy: -1.329 local terms energy: -505.771932 where: bonds (distance) C4'-P energy: -99.025 bonds (distance) P-C4' energy: -97.026 flat angles C4'-P-C4' energy: -120.420 flat angles P-C4'-P energy: -62.607 tors. eta vs tors. theta energy: -126.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1381.688070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.688070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.688070 (E_RNA) where: Base-Base interactions energy: -889.608 where: short stacking energy: -383.086 Base-Backbone interact. energy: -2.417 local terms energy: -489.662982 where: bonds (distance) C4'-P energy: -104.858 bonds (distance) P-C4' energy: -100.044 flat angles C4'-P-C4' energy: -112.360 flat angles P-C4'-P energy: -73.474 tors. eta vs tors. theta energy: -98.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1091.196862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.196862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.196862 (E_RNA) where: Base-Base interactions energy: -667.398 where: short stacking energy: -337.249 Base-Backbone interact. energy: -1.200 local terms energy: -422.598685 where: bonds (distance) C4'-P energy: -94.374 bonds (distance) P-C4' energy: -97.352 flat angles C4'-P-C4' energy: -105.553 flat angles P-C4'-P energy: -59.315 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: 9 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -840.315740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.315740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.315740 (E_RNA) where: Base-Base interactions energy: -479.111 where: short stacking energy: -228.790 Base-Backbone interact. energy: 0.054 local terms energy: -361.258966 where: bonds (distance) C4'-P energy: -83.878 bonds (distance) P-C4' energy: -107.647 flat angles C4'-P-C4' energy: -83.878 flat angles P-C4'-P energy: -65.236 tors. eta vs tors. theta energy: -20.620 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: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -595.522183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.522183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.522183 (E_RNA) where: Base-Base interactions energy: -303.786 where: short stacking energy: -179.247 Base-Backbone interact. energy: 3.479 local terms energy: -295.215803 where: bonds (distance) C4'-P energy: -90.618 bonds (distance) P-C4' energy: -89.678 flat angles C4'-P-C4' energy: -75.345 flat angles P-C4'-P energy: -46.187 tors. eta vs tors. theta energy: 6.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -498.458600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.458600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.458600 (E_RNA) where: Base-Base interactions energy: -165.708 where: short stacking energy: -142.042 Base-Backbone interact. energy: 2.307 local terms energy: -335.057873 where: bonds (distance) C4'-P energy: -88.799 bonds (distance) P-C4' energy: -106.316 flat angles C4'-P-C4' energy: -86.124 flat angles P-C4'-P energy: -53.448 tors. eta vs tors. theta energy: -0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -428.316929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.316929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.316929 (E_RNA) where: Base-Base interactions energy: -151.497 where: short stacking energy: -106.220 Base-Backbone interact. energy: -3.093 local terms energy: -273.726231 where: bonds (distance) C4'-P energy: -103.157 bonds (distance) P-C4' energy: -89.447 flat angles C4'-P-C4' energy: -65.957 flat angles P-C4'-P energy: -47.411 tors. eta vs tors. theta energy: 32.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1866.948082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.948082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.948082 (E_RNA) where: Base-Base interactions energy: -1287.939 where: short stacking energy: -546.480 Base-Backbone interact. energy: -1.008 local terms energy: -578.001373 where: bonds (distance) C4'-P energy: -98.423 bonds (distance) P-C4' energy: -110.442 flat angles C4'-P-C4' energy: -116.109 flat angles P-C4'-P energy: -89.547 tors. eta vs tors. theta energy: -163.481 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: 2 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1717.431846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.431846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.431846 (E_RNA) where: Base-Base interactions energy: -1162.527 where: short stacking energy: -510.722 Base-Backbone interact. energy: 0.681 local terms energy: -555.585895 where: bonds (distance) C4'-P energy: -88.837 bonds (distance) P-C4' energy: -108.094 flat angles C4'-P-C4' energy: -130.125 flat angles P-C4'-P energy: -82.193 tors. eta vs tors. theta energy: -146.337 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: 1 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1556.904436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.904436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.904436 (E_RNA) where: Base-Base interactions energy: -1023.893 where: short stacking energy: -457.529 Base-Backbone interact. energy: -2.761 local terms energy: -530.250556 where: bonds (distance) C4'-P energy: -103.025 bonds (distance) P-C4' energy: -118.713 flat angles C4'-P-C4' energy: -115.567 flat angles P-C4'-P energy: -72.155 tors. eta vs tors. theta energy: -120.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1467.726647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.726647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.726647 (E_RNA) where: Base-Base interactions energy: -945.961 where: short stacking energy: -432.123 Base-Backbone interact. energy: -0.786 local terms energy: -520.980088 where: bonds (distance) C4'-P energy: -104.429 bonds (distance) P-C4' energy: -117.712 flat angles C4'-P-C4' energy: -112.137 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: -128.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1352.051830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.051830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.051830 (E_RNA) where: Base-Base interactions energy: -859.669 where: short stacking energy: -372.564 Base-Backbone interact. energy: 0.153 local terms energy: -492.535332 where: bonds (distance) C4'-P energy: -104.743 bonds (distance) P-C4' energy: -105.902 flat angles C4'-P-C4' energy: -109.186 flat angles P-C4'-P energy: -73.071 tors. eta vs tors. theta energy: -99.634 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: 116 Temperature: 1.150000 Total energy: -1104.260060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.260060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.260060 (E_RNA) where: Base-Base interactions energy: -663.872 where: short stacking energy: -322.463 Base-Backbone interact. energy: 3.134 local terms energy: -443.521070 where: bonds (distance) C4'-P energy: -93.589 bonds (distance) P-C4' energy: -113.321 flat angles C4'-P-C4' energy: -99.756 flat angles P-C4'-P energy: -65.168 tors. eta vs tors. theta energy: -71.687 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: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -837.916374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.916374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.916374 (E_RNA) where: Base-Base interactions energy: -452.695 where: short stacking energy: -226.379 Base-Backbone interact. energy: -1.956 local terms energy: -383.265049 where: bonds (distance) C4'-P energy: -89.427 bonds (distance) P-C4' energy: -98.294 flat angles C4'-P-C4' energy: -96.868 flat angles P-C4'-P energy: -66.245 tors. eta vs tors. theta energy: -32.431 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: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -610.553176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.553176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.553176 (E_RNA) where: Base-Base interactions energy: -275.224 where: short stacking energy: -157.230 Base-Backbone interact. energy: 2.670 local terms energy: -337.999640 where: bonds (distance) C4'-P energy: -99.596 bonds (distance) P-C4' energy: -101.754 flat angles C4'-P-C4' energy: -85.118 flat angles P-C4'-P energy: -55.393 tors. eta vs tors. theta energy: 3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -485.396846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.396846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.396846 (E_RNA) where: Base-Base interactions energy: -166.647 where: short stacking energy: -146.163 Base-Backbone interact. energy: 2.371 local terms energy: -321.120479 where: bonds (distance) C4'-P energy: -99.435 bonds (distance) P-C4' energy: -106.510 flat angles C4'-P-C4' energy: -66.213 flat angles P-C4'-P energy: -52.161 tors. eta vs tors. theta energy: 3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -445.585292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.585292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.585292 (E_RNA) where: Base-Base interactions energy: -163.678 where: short stacking energy: -133.890 Base-Backbone interact. energy: -3.336 local terms energy: -278.571598 where: bonds (distance) C4'-P energy: -98.106 bonds (distance) P-C4' energy: -94.998 flat angles C4'-P-C4' energy: -73.626 flat angles P-C4'-P energy: -49.690 tors. eta vs tors. theta energy: 37.847 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: 117 Temperature: 0.900000 Total energy: -1874.557722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.557722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.557722 (E_RNA) where: Base-Base interactions energy: -1287.670 where: short stacking energy: -558.897 Base-Backbone interact. energy: -3.679 local terms energy: -583.208344 where: bonds (distance) C4'-P energy: -106.168 bonds (distance) P-C4' energy: -109.028 flat angles C4'-P-C4' energy: -121.600 flat angles P-C4'-P energy: -83.304 tors. eta vs tors. theta energy: -163.109 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: 2 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1736.509771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.509771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.509771 (E_RNA) where: Base-Base interactions energy: -1175.827 where: short stacking energy: -512.198 Base-Backbone interact. energy: -1.610 local terms energy: -559.072484 where: bonds (distance) C4'-P energy: -106.856 bonds (distance) P-C4' energy: -105.510 flat angles C4'-P-C4' energy: -118.341 flat angles P-C4'-P energy: -76.203 tors. eta vs tors. theta energy: -152.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1559.842346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.842346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.842346 (E_RNA) where: Base-Base interactions energy: -1049.338 where: short stacking energy: -490.007 Base-Backbone interact. energy: -4.754 local terms energy: -505.750760 where: bonds (distance) C4'-P energy: -90.367 bonds (distance) P-C4' energy: -93.735 flat angles C4'-P-C4' energy: -115.511 flat angles P-C4'-P energy: -66.833 tors. eta vs tors. theta energy: -139.305 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: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1432.586397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.586397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.586397 (E_RNA) where: Base-Base interactions energy: -924.123 where: short stacking energy: -400.134 Base-Backbone interact. energy: 1.459 local terms energy: -509.921905 where: bonds (distance) C4'-P energy: -96.773 bonds (distance) P-C4' energy: -106.648 flat angles C4'-P-C4' energy: -109.538 flat angles P-C4'-P energy: -71.336 tors. eta vs tors. theta energy: -125.626 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: 5, replica: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1248.940697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.940697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.940697 (E_RNA) where: Base-Base interactions energy: -807.145 where: short stacking energy: -341.307 Base-Backbone interact. energy: -1.308 local terms energy: -440.486972 where: bonds (distance) C4'-P energy: -86.482 bonds (distance) P-C4' energy: -106.365 flat angles C4'-P-C4' energy: -102.775 flat angles P-C4'-P energy: -59.204 tors. eta vs tors. theta energy: -85.662 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: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1121.291898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.291898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.291898 (E_RNA) where: Base-Base interactions energy: -700.201 where: short stacking energy: -291.086 Base-Backbone interact. energy: -0.557 local terms energy: -420.533943 where: bonds (distance) C4'-P energy: -69.078 bonds (distance) P-C4' energy: -109.771 flat angles C4'-P-C4' energy: -112.473 flat angles P-C4'-P energy: -64.052 tors. eta vs tors. theta energy: -65.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -896.221310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.221310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.221310 (E_RNA) where: Base-Base interactions energy: -508.081 where: short stacking energy: -241.013 Base-Backbone interact. energy: -0.414 local terms energy: -387.726762 where: bonds (distance) C4'-P energy: -92.636 bonds (distance) P-C4' energy: -106.602 flat angles C4'-P-C4' energy: -87.522 flat angles P-C4'-P energy: -62.947 tors. eta vs tors. theta energy: -38.020 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: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -628.163018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.163018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.163018 (E_RNA) where: Base-Base interactions energy: -279.766 where: short stacking energy: -197.562 Base-Backbone interact. energy: 1.202 local terms energy: -349.598838 where: bonds (distance) C4'-P energy: -100.822 bonds (distance) P-C4' energy: -100.620 flat angles C4'-P-C4' energy: -99.044 flat angles P-C4'-P energy: -44.621 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -451.023575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.023575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.023575 (E_RNA) where: Base-Base interactions energy: -162.927 where: short stacking energy: -137.416 Base-Backbone interact. energy: 3.315 local terms energy: -291.411613 where: bonds (distance) C4'-P energy: -89.229 bonds (distance) P-C4' energy: -88.118 flat angles C4'-P-C4' energy: -79.276 flat angles P-C4'-P energy: -45.926 tors. eta vs tors. theta energy: 11.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -459.852576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.852576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.852576 (E_RNA) where: Base-Base interactions energy: -168.923 where: short stacking energy: -109.631 Base-Backbone interact. energy: -0.572 local terms energy: -290.356933 where: bonds (distance) C4'-P energy: -89.681 bonds (distance) P-C4' energy: -87.995 flat angles C4'-P-C4' energy: -71.923 flat angles P-C4'-P energy: -41.328 tors. eta vs tors. theta energy: 0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1877.828610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.828610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.828610 (E_RNA) where: Base-Base interactions energy: -1285.155 where: short stacking energy: -561.744 Base-Backbone interact. energy: 0.979 local terms energy: -593.652018 where: bonds (distance) C4'-P energy: -107.204 bonds (distance) P-C4' energy: -112.161 flat angles C4'-P-C4' energy: -129.042 flat angles P-C4'-P energy: -77.275 tors. eta vs tors. theta energy: -167.969 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: 2 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1742.993571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.993571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.993571 (E_RNA) where: Base-Base interactions energy: -1165.163 where: short stacking energy: -509.378 Base-Backbone interact. energy: -1.290 local terms energy: -576.541123 where: bonds (distance) C4'-P energy: -102.781 bonds (distance) P-C4' energy: -117.360 flat angles C4'-P-C4' energy: -125.162 flat angles P-C4'-P energy: -76.333 tors. eta vs tors. theta energy: -154.906 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: 1 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1573.364342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.364342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.364342 (E_RNA) where: Base-Base interactions energy: -1051.616 where: short stacking energy: -471.182 Base-Backbone interact. energy: -2.522 local terms energy: -519.225794 where: bonds (distance) C4'-P energy: -93.391 bonds (distance) P-C4' energy: -112.127 flat angles C4'-P-C4' energy: -114.102 flat angles P-C4'-P energy: -63.102 tors. eta vs tors. theta energy: -136.504 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: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1489.668854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.668854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.668854 (E_RNA) where: Base-Base interactions energy: -969.212 where: short stacking energy: -453.189 Base-Backbone interact. energy: -1.100 local terms energy: -519.356734 where: bonds (distance) C4'-P energy: -99.707 bonds (distance) P-C4' energy: -116.466 flat angles C4'-P-C4' energy: -96.013 flat angles P-C4'-P energy: -78.104 tors. eta vs tors. theta energy: -129.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1252.474811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.474811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.474811 (E_RNA) where: Base-Base interactions energy: -800.191 where: short stacking energy: -351.129 Base-Backbone interact. energy: -2.896 local terms energy: -449.387602 where: bonds (distance) C4'-P energy: -95.978 bonds (distance) P-C4' energy: -107.143 flat angles C4'-P-C4' energy: -111.630 flat angles P-C4'-P energy: -56.590 tors. eta vs tors. theta energy: -78.048 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: 118 Temperature: 1.150000 Total energy: -1199.859480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.859480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.859480 (E_RNA) where: Base-Base interactions energy: -777.241 where: short stacking energy: -338.230 Base-Backbone interact. energy: -2.159 local terms energy: -420.459329 where: bonds (distance) C4'-P energy: -87.270 bonds (distance) P-C4' energy: -104.334 flat angles C4'-P-C4' energy: -96.976 flat angles P-C4'-P energy: -55.547 tors. eta vs tors. theta energy: -76.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -904.658244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.658244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.658244 (E_RNA) where: Base-Base interactions energy: -519.200 where: short stacking energy: -256.507 Base-Backbone interact. energy: -1.845 local terms energy: -383.613306 where: bonds (distance) C4'-P energy: -90.469 bonds (distance) P-C4' energy: -104.591 flat angles C4'-P-C4' energy: -98.397 flat angles P-C4'-P energy: -59.011 tors. eta vs tors. theta energy: -31.146 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: 8, replica: 4 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -611.395383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.395383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.395383 (E_RNA) where: Base-Base interactions energy: -270.841 where: short stacking energy: -188.855 Base-Backbone interact. energy: 0.868 local terms energy: -341.421395 where: bonds (distance) C4'-P energy: -104.469 bonds (distance) P-C4' energy: -94.679 flat angles C4'-P-C4' energy: -81.983 flat angles P-C4'-P energy: -40.156 tors. eta vs tors. theta energy: -20.134 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: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -530.088751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.088751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.088751 (E_RNA) where: Base-Base interactions energy: -228.104 where: short stacking energy: -146.121 Base-Backbone interact. energy: -0.537 local terms energy: -301.448067 where: bonds (distance) C4'-P energy: -74.562 bonds (distance) P-C4' energy: -103.451 flat angles C4'-P-C4' energy: -89.257 flat angles P-C4'-P energy: -43.392 tors. eta vs tors. theta energy: 9.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -419.616318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.616318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.616318 (E_RNA) where: Base-Base interactions energy: -139.170 where: short stacking energy: -132.671 Base-Backbone interact. energy: -0.399 local terms energy: -280.047480 where: bonds (distance) C4'-P energy: -85.573 bonds (distance) P-C4' energy: -101.369 flat angles C4'-P-C4' energy: -54.807 flat angles P-C4'-P energy: -40.977 tors. eta vs tors. theta energy: 2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1852.055016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.055016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.055016 (E_RNA) where: Base-Base interactions energy: -1273.364 where: short stacking energy: -528.660 Base-Backbone interact. energy: -3.502 local terms energy: -575.189188 where: bonds (distance) C4'-P energy: -100.784 bonds (distance) P-C4' energy: -104.171 flat angles C4'-P-C4' energy: -129.650 flat angles P-C4'-P energy: -81.130 tors. eta vs tors. theta energy: -159.454 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: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1744.246515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.246515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.246515 (E_RNA) where: Base-Base interactions energy: -1183.059 where: short stacking energy: -492.134 Base-Backbone interact. energy: -3.545 local terms energy: -557.643052 where: bonds (distance) C4'-P energy: -113.167 bonds (distance) P-C4' energy: -102.855 flat angles C4'-P-C4' energy: -115.555 flat angles P-C4'-P energy: -76.651 tors. eta vs tors. theta energy: -149.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1594.634052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.634052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.634052 (E_RNA) where: Base-Base interactions energy: -1056.660 where: short stacking energy: -475.989 Base-Backbone interact. energy: -4.004 local terms energy: -533.970488 where: bonds (distance) C4'-P energy: -111.050 bonds (distance) P-C4' energy: -105.042 flat angles C4'-P-C4' energy: -123.348 flat angles P-C4'-P energy: -58.524 tors. eta vs tors. theta energy: -136.005 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: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1438.045285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.045285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.045285 (E_RNA) where: Base-Base interactions energy: -941.814 where: short stacking energy: -435.210 Base-Backbone interact. energy: -1.995 local terms energy: -494.235924 where: bonds (distance) C4'-P energy: -85.441 bonds (distance) P-C4' energy: -103.781 flat angles C4'-P-C4' energy: -108.351 flat angles P-C4'-P energy: -72.889 tors. eta vs tors. theta energy: -123.774 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: 119 Temperature: 1.100000 Total energy: -1321.860673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.860673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.860673 (E_RNA) where: Base-Base interactions energy: -865.775 where: short stacking energy: -386.957 Base-Backbone interact. energy: 8.084 local terms energy: -464.169387 where: bonds (distance) C4'-P energy: -90.472 bonds (distance) P-C4' energy: -107.369 flat angles C4'-P-C4' energy: -103.396 flat angles P-C4'-P energy: -73.274 tors. eta vs tors. theta energy: -89.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1179.145054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.145054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.145054 (E_RNA) where: Base-Base interactions energy: -761.325 where: short stacking energy: -336.145 Base-Backbone interact. energy: 0.676 local terms energy: -418.496709 where: bonds (distance) C4'-P energy: -82.995 bonds (distance) P-C4' energy: -98.884 flat angles C4'-P-C4' energy: -109.888 flat angles P-C4'-P energy: -63.943 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: 9 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -932.737504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.737504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.737504 (E_RNA) where: Base-Base interactions energy: -530.835 where: short stacking energy: -272.145 Base-Backbone interact. energy: -3.133 local terms energy: -398.769971 where: bonds (distance) C4'-P energy: -104.553 bonds (distance) P-C4' energy: -95.208 flat angles C4'-P-C4' energy: -96.495 flat angles P-C4'-P energy: -67.416 tors. eta vs tors. theta energy: -35.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -598.713609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.713609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.713609 (E_RNA) where: Base-Base interactions energy: -267.828 where: short stacking energy: -178.906 Base-Backbone interact. energy: 0.902 local terms energy: -331.787860 where: bonds (distance) C4'-P energy: -74.998 bonds (distance) P-C4' energy: -108.350 flat angles C4'-P-C4' energy: -84.917 flat angles P-C4'-P energy: -53.516 tors. eta vs tors. theta energy: -10.007 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: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -545.128369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.128369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.128369 (E_RNA) where: Base-Base interactions energy: -257.014 where: short stacking energy: -137.658 Base-Backbone interact. energy: 2.651 local terms energy: -290.765618 where: bonds (distance) C4'-P energy: -86.952 bonds (distance) P-C4' energy: -90.873 flat angles C4'-P-C4' energy: -66.202 flat angles P-C4'-P energy: -53.588 tors. eta vs tors. theta energy: 6.849 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: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -413.705319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.705319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.705319 (E_RNA) where: Base-Base interactions energy: -137.027 where: short stacking energy: -114.501 Base-Backbone interact. energy: 2.833 local terms energy: -279.510986 where: bonds (distance) C4'-P energy: -92.176 bonds (distance) P-C4' energy: -102.132 flat angles C4'-P-C4' energy: -82.227 flat angles P-C4'-P energy: -39.831 tors. eta vs tors. theta energy: 36.855 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: 120 Temperature: 0.900000 Total energy: -1857.177580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.177580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.177580 (E_RNA) where: Base-Base interactions energy: -1257.409 where: short stacking energy: -531.377 Base-Backbone interact. energy: -3.380 local terms energy: -596.388059 where: bonds (distance) C4'-P energy: -104.646 bonds (distance) P-C4' energy: -112.026 flat angles C4'-P-C4' energy: -134.413 flat angles P-C4'-P energy: -84.807 tors. eta vs tors. theta energy: -160.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1748.908700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.908700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.908700 (E_RNA) where: Base-Base interactions energy: -1182.747 where: short stacking energy: -524.039 Base-Backbone interact. energy: 0.254 local terms energy: -566.415929 where: bonds (distance) C4'-P energy: -105.856 bonds (distance) P-C4' energy: -109.468 flat angles C4'-P-C4' energy: -120.715 flat angles P-C4'-P energy: -75.149 tors. eta vs tors. theta energy: -155.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1592.873211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.873211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.873211 (E_RNA) where: Base-Base interactions energy: -1048.357 where: short stacking energy: -454.675 Base-Backbone interact. energy: -0.404 local terms energy: -544.111764 where: bonds (distance) C4'-P energy: -108.152 bonds (distance) P-C4' energy: -108.938 flat angles C4'-P-C4' energy: -115.633 flat angles P-C4'-P energy: -74.785 tors. eta vs tors. theta energy: -136.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1421.533934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.533934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.533934 (E_RNA) where: Base-Base interactions energy: -931.556 where: short stacking energy: -430.085 Base-Backbone interact. energy: 5.374 local terms energy: -495.352477 where: bonds (distance) C4'-P energy: -99.561 bonds (distance) P-C4' energy: -115.185 flat angles C4'-P-C4' energy: -103.575 flat angles P-C4'-P energy: -61.255 tors. eta vs tors. theta energy: -115.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1303.820956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.820956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.820956 (E_RNA) where: Base-Base interactions energy: -838.042 where: short stacking energy: -363.886 Base-Backbone interact. energy: -1.458 local terms energy: -464.320760 where: bonds (distance) C4'-P energy: -103.911 bonds (distance) P-C4' energy: -90.881 flat angles C4'-P-C4' energy: -115.960 flat angles P-C4'-P energy: -57.934 tors. eta vs tors. theta energy: -95.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1175.875327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.875327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.875327 (E_RNA) where: Base-Base interactions energy: -726.507 where: short stacking energy: -351.551 Base-Backbone interact. energy: 0.084 local terms energy: -449.451541 where: bonds (distance) C4'-P energy: -108.372 bonds (distance) P-C4' energy: -103.651 flat angles C4'-P-C4' energy: -95.740 flat angles P-C4'-P energy: -70.863 tors. eta vs tors. theta energy: -70.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -892.897409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.897409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.897409 (E_RNA) where: Base-Base interactions energy: -526.743 where: short stacking energy: -263.743 Base-Backbone interact. energy: -3.846 local terms energy: -362.307854 where: bonds (distance) C4'-P energy: -88.580 bonds (distance) P-C4' energy: -102.211 flat angles C4'-P-C4' energy: -89.047 flat angles P-C4'-P energy: -42.138 tors. eta vs tors. theta energy: -40.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -637.111837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.111837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.111837 (E_RNA) where: Base-Base interactions energy: -317.760 where: short stacking energy: -186.990 Base-Backbone interact. energy: 1.710 local terms energy: -321.061839 where: bonds (distance) C4'-P energy: -91.679 bonds (distance) P-C4' energy: -86.780 flat angles C4'-P-C4' energy: -83.634 flat angles P-C4'-P energy: -48.933 tors. eta vs tors. theta energy: -10.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -577.202008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.202008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.202008 (E_RNA) where: Base-Base interactions energy: -257.964 where: short stacking energy: -142.183 Base-Backbone interact. energy: -1.371 local terms energy: -317.867607 where: bonds (distance) C4'-P energy: -90.125 bonds (distance) P-C4' energy: -105.234 flat angles C4'-P-C4' energy: -90.196 flat angles P-C4'-P energy: -44.067 tors. eta vs tors. theta energy: 11.755 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: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -466.707128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.707128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.707128 (E_RNA) where: Base-Base interactions energy: -163.183 where: short stacking energy: -139.088 Base-Backbone interact. energy: -1.161 local terms energy: -302.363133 where: bonds (distance) C4'-P energy: -89.638 bonds (distance) P-C4' energy: -101.827 flat angles C4'-P-C4' energy: -75.479 flat angles P-C4'-P energy: -42.571 tors. eta vs tors. theta energy: 7.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1855.175567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.175567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.175567 (E_RNA) where: Base-Base interactions energy: -1260.859 where: short stacking energy: -549.506 Base-Backbone interact. energy: -2.861 local terms energy: -591.455270 where: bonds (distance) C4'-P energy: -100.469 bonds (distance) P-C4' energy: -109.866 flat angles C4'-P-C4' energy: -127.537 flat angles P-C4'-P energy: -84.840 tors. eta vs tors. theta energy: -168.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1720.509408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.509408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.509408 (E_RNA) where: Base-Base interactions energy: -1170.961 where: short stacking energy: -495.720 Base-Backbone interact. energy: 6.333 local terms energy: -555.880508 where: bonds (distance) C4'-P energy: -112.422 bonds (distance) P-C4' energy: -104.058 flat angles C4'-P-C4' energy: -122.311 flat angles P-C4'-P energy: -64.150 tors. eta vs tors. theta energy: -152.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1634.040226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.040226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.040226 (E_RNA) where: Base-Base interactions energy: -1086.470 where: short stacking energy: -495.374 Base-Backbone interact. energy: -2.442 local terms energy: -545.128467 where: bonds (distance) C4'-P energy: -87.720 bonds (distance) P-C4' energy: -119.822 flat angles C4'-P-C4' energy: -122.751 flat angles P-C4'-P energy: -71.890 tors. eta vs tors. theta energy: -142.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1385.041378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.041378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.041378 (E_RNA) where: Base-Base interactions energy: -886.488 where: short stacking energy: -419.325 Base-Backbone interact. energy: -0.011 local terms energy: -498.542350 where: bonds (distance) C4'-P energy: -91.196 bonds (distance) P-C4' energy: -116.197 flat angles C4'-P-C4' energy: -111.460 flat angles P-C4'-P energy: -60.228 tors. eta vs tors. theta energy: -119.461 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: 3 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1297.515042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.515042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.515042 (E_RNA) where: Base-Base interactions energy: -826.598 where: short stacking energy: -349.804 Base-Backbone interact. energy: -1.804 local terms energy: -469.112751 where: bonds (distance) C4'-P energy: -95.844 bonds (distance) P-C4' energy: -109.585 flat angles C4'-P-C4' energy: -104.720 flat angles P-C4'-P energy: -66.534 tors. eta vs tors. theta energy: -92.430 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: 6, replica: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1206.510309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.510309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.510309 (E_RNA) where: Base-Base interactions energy: -771.101 where: short stacking energy: -332.863 Base-Backbone interact. energy: -2.343 local terms energy: -433.066631 where: bonds (distance) C4'-P energy: -100.586 bonds (distance) P-C4' energy: -99.197 flat angles C4'-P-C4' energy: -92.810 flat angles P-C4'-P energy: -65.204 tors. eta vs tors. theta energy: -75.270 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: 7, replica: 9 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -846.131286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.131286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.131286 (E_RNA) where: Base-Base interactions energy: -471.472 where: short stacking energy: -227.653 Base-Backbone interact. energy: 0.542 local terms energy: -375.200533 where: bonds (distance) C4'-P energy: -86.423 bonds (distance) P-C4' energy: -115.849 flat angles C4'-P-C4' energy: -95.251 flat angles P-C4'-P energy: -59.428 tors. eta vs tors. theta energy: -18.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -548.009640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.009640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.009640 (E_RNA) where: Base-Base interactions energy: -242.416 where: short stacking energy: -167.856 Base-Backbone interact. energy: 1.380 local terms energy: -306.973810 where: bonds (distance) C4'-P energy: -76.102 bonds (distance) P-C4' energy: -91.837 flat angles C4'-P-C4' energy: -88.299 flat angles P-C4'-P energy: -50.654 tors. eta vs tors. theta energy: -0.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -650.623453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.623453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.623453 (E_RNA) where: Base-Base interactions energy: -344.872 where: short stacking energy: -195.208 Base-Backbone interact. energy: 5.932 local terms energy: -311.682644 where: bonds (distance) C4'-P energy: -85.183 bonds (distance) P-C4' energy: -93.356 flat angles C4'-P-C4' energy: -79.300 flat angles P-C4'-P energy: -39.058 tors. eta vs tors. theta energy: -14.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -456.825440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.825440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.825440 (E_RNA) where: Base-Base interactions energy: -151.213 where: short stacking energy: -131.540 Base-Backbone interact. energy: -2.547 local terms energy: -303.065480 where: bonds (distance) C4'-P energy: -82.284 bonds (distance) P-C4' energy: -99.102 flat angles C4'-P-C4' energy: -77.502 flat angles P-C4'-P energy: -52.952 tors. eta vs tors. theta energy: 8.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1873.295201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.295201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.295201 (E_RNA) where: Base-Base interactions energy: -1265.065 where: short stacking energy: -541.934 Base-Backbone interact. energy: -4.547 local terms energy: -603.682681 where: bonds (distance) C4'-P energy: -114.170 bonds (distance) P-C4' energy: -114.085 flat angles C4'-P-C4' energy: -126.405 flat angles P-C4'-P energy: -84.577 tors. eta vs tors. theta energy: -164.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1729.345674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.345674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.345674 (E_RNA) where: Base-Base interactions energy: -1176.083 where: short stacking energy: -490.051 Base-Backbone interact. energy: 0.207 local terms energy: -553.469326 where: bonds (distance) C4'-P energy: -109.635 bonds (distance) P-C4' energy: -111.334 flat angles C4'-P-C4' energy: -116.536 flat angles P-C4'-P energy: -78.229 tors. eta vs tors. theta energy: -137.736 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: 3, replica: 1 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1607.214791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.214791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.214791 (E_RNA) where: Base-Base interactions energy: -1081.152 where: short stacking energy: -474.270 Base-Backbone interact. energy: 0.604 local terms energy: -526.666717 where: bonds (distance) C4'-P energy: -111.649 bonds (distance) P-C4' energy: -91.822 flat angles C4'-P-C4' energy: -115.832 flat angles P-C4'-P energy: -79.915 tors. eta vs tors. theta energy: -127.449 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: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1361.541337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.541337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.541337 (E_RNA) where: Base-Base interactions energy: -885.402 where: short stacking energy: -405.414 Base-Backbone interact. energy: 0.245 local terms energy: -476.383970 where: bonds (distance) C4'-P energy: -81.560 bonds (distance) P-C4' energy: -102.534 flat angles C4'-P-C4' energy: -109.954 flat angles P-C4'-P energy: -63.761 tors. eta vs tors. theta energy: -118.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1272.461793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.461793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.461793 (E_RNA) where: Base-Base interactions energy: -813.191 where: short stacking energy: -384.049 Base-Backbone interact. energy: -0.361 local terms energy: -458.909426 where: bonds (distance) C4'-P energy: -104.867 bonds (distance) P-C4' energy: -92.841 flat angles C4'-P-C4' energy: -101.007 flat angles P-C4'-P energy: -75.754 tors. eta vs tors. theta energy: -84.440 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: 6, replica: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1149.402785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.402785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.402785 (E_RNA) where: Base-Base interactions energy: -711.352 where: short stacking energy: -326.884 Base-Backbone interact. energy: -2.581 local terms energy: -435.470245 where: bonds (distance) C4'-P energy: -95.446 bonds (distance) P-C4' energy: -101.155 flat angles C4'-P-C4' energy: -104.299 flat angles P-C4'-P energy: -56.107 tors. eta vs tors. theta energy: -78.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -813.949045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.949045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.949045 (E_RNA) where: Base-Base interactions energy: -457.654 where: short stacking energy: -219.763 Base-Backbone interact. energy: 1.652 local terms energy: -357.947717 where: bonds (distance) C4'-P energy: -99.413 bonds (distance) P-C4' energy: -100.590 flat angles C4'-P-C4' energy: -74.419 flat angles P-C4'-P energy: -53.919 tors. eta vs tors. theta energy: -29.607 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: 122 Temperature: 1.250000 Total energy: -586.991353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.991353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.991353 (E_RNA) where: Base-Base interactions energy: -267.791 where: short stacking energy: -153.861 Base-Backbone interact. energy: -0.019 local terms energy: -319.181645 where: bonds (distance) C4'-P energy: -92.462 bonds (distance) P-C4' energy: -109.916 flat angles C4'-P-C4' energy: -85.021 flat angles P-C4'-P energy: -47.346 tors. eta vs tors. theta energy: 15.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -594.994133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.994133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.994133 (E_RNA) where: Base-Base interactions energy: -292.129 where: short stacking energy: -167.975 Base-Backbone interact. energy: 0.381 local terms energy: -303.246333 where: bonds (distance) C4'-P energy: -81.198 bonds (distance) P-C4' energy: -80.433 flat angles C4'-P-C4' energy: -76.096 flat angles P-C4'-P energy: -65.822 tors. eta vs tors. theta energy: 0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -445.604132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.604132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.604132 (E_RNA) where: Base-Base interactions energy: -153.225 where: short stacking energy: -125.082 Base-Backbone interact. energy: 0.637 local terms energy: -293.016144 where: bonds (distance) C4'-P energy: -86.387 bonds (distance) P-C4' energy: -91.655 flat angles C4'-P-C4' energy: -75.689 flat angles P-C4'-P energy: -56.589 tors. eta vs tors. theta energy: 17.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1878.817676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.817676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.817676 (E_RNA) where: Base-Base interactions energy: -1287.482 where: short stacking energy: -553.661 Base-Backbone interact. energy: -0.807 local terms energy: -590.528640 where: bonds (distance) C4'-P energy: -102.034 bonds (distance) P-C4' energy: -118.459 flat angles C4'-P-C4' energy: -123.531 flat angles P-C4'-P energy: -85.849 tors. eta vs tors. theta energy: -160.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1748.118325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.118325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.118325 (E_RNA) where: Base-Base interactions energy: -1173.802 where: short stacking energy: -501.358 Base-Backbone interact. energy: -0.516 local terms energy: -573.800457 where: bonds (distance) C4'-P energy: -108.170 bonds (distance) P-C4' energy: -106.550 flat angles C4'-P-C4' energy: -126.936 flat angles P-C4'-P energy: -79.685 tors. eta vs tors. theta energy: -152.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1600.364437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.364437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.364437 (E_RNA) where: Base-Base interactions energy: -1069.242 where: short stacking energy: -462.596 Base-Backbone interact. energy: 2.259 local terms energy: -533.381890 where: bonds (distance) C4'-P energy: -115.533 bonds (distance) P-C4' energy: -96.365 flat angles C4'-P-C4' energy: -117.005 flat angles P-C4'-P energy: -74.346 tors. eta vs tors. theta energy: -130.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1405.224275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.224275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.224275 (E_RNA) where: Base-Base interactions energy: -882.694 where: short stacking energy: -391.288 Base-Backbone interact. energy: -2.276 local terms energy: -520.254491 where: bonds (distance) C4'-P energy: -115.054 bonds (distance) P-C4' energy: -108.585 flat angles C4'-P-C4' energy: -114.756 flat angles P-C4'-P energy: -77.312 tors. eta vs tors. theta energy: -104.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1242.088968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.088968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.088968 (E_RNA) where: Base-Base interactions energy: -800.169 where: short stacking energy: -346.106 Base-Backbone interact. energy: -2.451 local terms energy: -439.469344 where: bonds (distance) C4'-P energy: -85.655 bonds (distance) P-C4' energy: -104.308 flat angles C4'-P-C4' energy: -113.317 flat angles P-C4'-P energy: -52.501 tors. eta vs tors. theta energy: -83.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1173.477869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.477869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.477869 (E_RNA) where: Base-Base interactions energy: -746.557 where: short stacking energy: -361.625 Base-Backbone interact. energy: 1.807 local terms energy: -428.727592 where: bonds (distance) C4'-P energy: -94.053 bonds (distance) P-C4' energy: -100.387 flat angles C4'-P-C4' energy: -86.302 flat angles P-C4'-P energy: -48.979 tors. eta vs tors. theta energy: -99.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -847.511319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.511319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.511319 (E_RNA) where: Base-Base interactions energy: -476.755 where: short stacking energy: -204.997 Base-Backbone interact. energy: -2.218 local terms energy: -368.539097 where: bonds (distance) C4'-P energy: -103.819 bonds (distance) P-C4' energy: -86.936 flat angles C4'-P-C4' energy: -99.720 flat angles P-C4'-P energy: -51.646 tors. eta vs tors. theta energy: -26.419 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: 8, replica: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -609.327981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.327981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.327981 (E_RNA) where: Base-Base interactions energy: -288.739 where: short stacking energy: -176.289 Base-Backbone interact. energy: 0.684 local terms energy: -321.273445 where: bonds (distance) C4'-P energy: -90.559 bonds (distance) P-C4' energy: -97.974 flat angles C4'-P-C4' energy: -80.347 flat angles P-C4'-P energy: -56.094 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: 4 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -561.347012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.347012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.347012 (E_RNA) where: Base-Base interactions energy: -249.308 where: short stacking energy: -160.736 Base-Backbone interact. energy: 1.441 local terms energy: -313.480641 where: bonds (distance) C4'-P energy: -86.576 bonds (distance) P-C4' energy: -91.973 flat angles C4'-P-C4' energy: -78.834 flat angles P-C4'-P energy: -58.480 tors. eta vs tors. theta energy: 2.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -434.285655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.285655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.285655 (E_RNA) where: Base-Base interactions energy: -150.063 where: short stacking energy: -110.189 Base-Backbone interact. energy: 1.031 local terms energy: -285.253640 where: bonds (distance) C4'-P energy: -85.419 bonds (distance) P-C4' energy: -105.464 flat angles C4'-P-C4' energy: -64.972 flat angles P-C4'-P energy: -46.901 tors. eta vs tors. theta energy: 17.502 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: 124 Temperature: 0.900000 Total energy: -1886.550079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.550079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.550079 (E_RNA) where: Base-Base interactions energy: -1277.302 where: short stacking energy: -564.061 Base-Backbone interact. energy: 0.160 local terms energy: -609.407961 where: bonds (distance) C4'-P energy: -119.592 bonds (distance) P-C4' energy: -107.325 flat angles C4'-P-C4' energy: -131.177 flat angles P-C4'-P energy: -85.283 tors. eta vs tors. theta energy: -166.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1748.972654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.972654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.972654 (E_RNA) where: Base-Base interactions energy: -1191.052 where: short stacking energy: -509.475 Base-Backbone interact. energy: -4.019 local terms energy: -553.901638 where: bonds (distance) C4'-P energy: -102.903 bonds (distance) P-C4' energy: -111.498 flat angles C4'-P-C4' energy: -120.331 flat angles P-C4'-P energy: -75.182 tors. eta vs tors. theta energy: -143.987 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: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1635.438724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.438724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.438724 (E_RNA) where: Base-Base interactions energy: -1099.986 where: short stacking energy: -467.730 Base-Backbone interact. energy: -1.563 local terms energy: -533.890397 where: bonds (distance) C4'-P energy: -101.585 bonds (distance) P-C4' energy: -94.452 flat angles C4'-P-C4' energy: -124.507 flat angles P-C4'-P energy: -69.696 tors. eta vs tors. theta energy: -143.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1425.734720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.734720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.734720 (E_RNA) where: Base-Base interactions energy: -928.027 where: short stacking energy: -428.112 Base-Backbone interact. energy: 2.510 local terms energy: -500.217473 where: bonds (distance) C4'-P energy: -92.228 bonds (distance) P-C4' energy: -113.396 flat angles C4'-P-C4' energy: -123.015 flat angles P-C4'-P energy: -62.180 tors. eta vs tors. theta energy: -109.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1279.586001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.586001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.586001 (E_RNA) where: Base-Base interactions energy: -812.020 where: short stacking energy: -350.529 Base-Backbone interact. energy: 0.309 local terms energy: -467.875008 where: bonds (distance) C4'-P energy: -106.771 bonds (distance) P-C4' energy: -106.847 flat angles C4'-P-C4' energy: -102.620 flat angles P-C4'-P energy: -66.000 tors. eta vs tors. theta energy: -85.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1173.730366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.730366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.730366 (E_RNA) where: Base-Base interactions energy: -734.920 where: short stacking energy: -332.395 Base-Backbone interact. energy: -0.074 local terms energy: -438.736056 where: bonds (distance) C4'-P energy: -97.598 bonds (distance) P-C4' energy: -104.378 flat angles C4'-P-C4' energy: -101.018 flat angles P-C4'-P energy: -60.710 tors. eta vs tors. theta energy: -75.032 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: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -823.722574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.722574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.722574 (E_RNA) where: Base-Base interactions energy: -472.774 where: short stacking energy: -232.768 Base-Backbone interact. energy: -3.281 local terms energy: -347.667992 where: bonds (distance) C4'-P energy: -70.430 bonds (distance) P-C4' energy: -85.669 flat angles C4'-P-C4' energy: -96.164 flat angles P-C4'-P energy: -51.996 tors. eta vs tors. theta energy: -43.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -627.604337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.604337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.604337 (E_RNA) where: Base-Base interactions energy: -298.017 where: short stacking energy: -169.512 Base-Backbone interact. energy: -4.737 local terms energy: -324.850674 where: bonds (distance) C4'-P energy: -95.757 bonds (distance) P-C4' energy: -101.167 flat angles C4'-P-C4' energy: -91.007 flat angles P-C4'-P energy: -38.319 tors. eta vs tors. theta energy: 1.399 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: 4 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -587.761587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.761587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.761587 (E_RNA) where: Base-Base interactions energy: -262.738 where: short stacking energy: -158.613 Base-Backbone interact. energy: -0.231 local terms energy: -324.793022 where: bonds (distance) C4'-P energy: -83.916 bonds (distance) P-C4' energy: -103.535 flat angles C4'-P-C4' energy: -80.085 flat angles P-C4'-P energy: -48.780 tors. eta vs tors. theta energy: -8.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -435.769848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.769848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.769848 (E_RNA) where: Base-Base interactions energy: -185.314 where: short stacking energy: -126.806 Base-Backbone interact. energy: 1.816 local terms energy: -252.271946 where: bonds (distance) C4'-P energy: -85.698 bonds (distance) P-C4' energy: -87.918 flat angles C4'-P-C4' energy: -66.603 flat angles P-C4'-P energy: -37.148 tors. eta vs tors. theta energy: 25.095 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: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1866.751433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.751433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.751433 (E_RNA) where: Base-Base interactions energy: -1263.688 where: short stacking energy: -551.475 Base-Backbone interact. energy: -3.095 local terms energy: -599.968451 where: bonds (distance) C4'-P energy: -97.754 bonds (distance) P-C4' energy: -115.888 flat angles C4'-P-C4' energy: -132.801 flat angles P-C4'-P energy: -91.111 tors. eta vs tors. theta energy: -162.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1728.614206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.614206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.614206 (E_RNA) where: Base-Base interactions energy: -1168.729 where: short stacking energy: -491.762 Base-Backbone interact. energy: 0.227 local terms energy: -560.112597 where: bonds (distance) C4'-P energy: -97.081 bonds (distance) P-C4' energy: -105.926 flat angles C4'-P-C4' energy: -120.204 flat angles P-C4'-P energy: -86.478 tors. eta vs tors. theta energy: -150.424 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: 3, replica: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1624.866109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.866109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.866109 (E_RNA) where: Base-Base interactions energy: -1093.888 where: short stacking energy: -474.285 Base-Backbone interact. energy: -0.591 local terms energy: -530.386625 where: bonds (distance) C4'-P energy: -98.222 bonds (distance) P-C4' energy: -113.634 flat angles C4'-P-C4' energy: -112.426 flat angles P-C4'-P energy: -64.345 tors. eta vs tors. theta energy: -141.759 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: 4, replica: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1392.894153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.894153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.894153 (E_RNA) where: Base-Base interactions energy: -909.989 where: short stacking energy: -434.293 Base-Backbone interact. energy: 2.352 local terms energy: -485.257506 where: bonds (distance) C4'-P energy: -93.230 bonds (distance) P-C4' energy: -100.562 flat angles C4'-P-C4' energy: -100.481 flat angles P-C4'-P energy: -72.691 tors. eta vs tors. theta energy: -118.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1290.319490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.319490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.319490 (E_RNA) where: Base-Base interactions energy: -832.977 where: short stacking energy: -360.028 Base-Backbone interact. energy: -0.009 local terms energy: -457.334183 where: bonds (distance) C4'-P energy: -98.350 bonds (distance) P-C4' energy: -96.303 flat angles C4'-P-C4' energy: -114.743 flat angles P-C4'-P energy: -68.357 tors. eta vs tors. theta energy: -79.580 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: 6 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1214.212292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.212292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.212292 (E_RNA) where: Base-Base interactions energy: -785.554 where: short stacking energy: -353.768 Base-Backbone interact. energy: -0.482 local terms energy: -428.176015 where: bonds (distance) C4'-P energy: -98.814 bonds (distance) P-C4' energy: -90.661 flat angles C4'-P-C4' energy: -89.831 flat angles P-C4'-P energy: -56.553 tors. eta vs tors. theta energy: -92.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -740.312933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.312933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.312933 (E_RNA) where: Base-Base interactions energy: -372.394 where: short stacking energy: -208.973 Base-Backbone interact. energy: -0.409 local terms energy: -367.509943 where: bonds (distance) C4'-P energy: -93.072 bonds (distance) P-C4' energy: -107.680 flat angles C4'-P-C4' energy: -94.546 flat angles P-C4'-P energy: -43.312 tors. eta vs tors. theta energy: -28.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -616.896091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.896091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.896091 (E_RNA) where: Base-Base interactions energy: -280.374 where: short stacking energy: -170.633 Base-Backbone interact. energy: -0.418 local terms energy: -336.104258 where: bonds (distance) C4'-P energy: -95.626 bonds (distance) P-C4' energy: -100.399 flat angles C4'-P-C4' energy: -86.034 flat angles P-C4'-P energy: -53.164 tors. eta vs tors. theta energy: -0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -586.845481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.845481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.845481 (E_RNA) where: Base-Base interactions energy: -268.955 where: short stacking energy: -156.310 Base-Backbone interact. energy: -2.235 local terms energy: -315.655766 where: bonds (distance) C4'-P energy: -79.789 bonds (distance) P-C4' energy: -124.025 flat angles C4'-P-C4' energy: -72.462 flat angles P-C4'-P energy: -41.309 tors. eta vs tors. theta energy: 1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -417.422680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.422680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.422680 (E_RNA) where: Base-Base interactions energy: -172.116 where: short stacking energy: -115.397 Base-Backbone interact. energy: 4.637 local terms energy: -249.943518 where: bonds (distance) C4'-P energy: -88.306 bonds (distance) P-C4' energy: -81.412 flat angles C4'-P-C4' energy: -70.525 flat angles P-C4'-P energy: -49.767 tors. eta vs tors. theta energy: 40.067 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: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1894.753914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.753914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.753914 (E_RNA) where: Base-Base interactions energy: -1287.655 where: short stacking energy: -580.881 Base-Backbone interact. energy: -2.425 local terms energy: -604.673609 where: bonds (distance) C4'-P energy: -111.637 bonds (distance) P-C4' energy: -109.042 flat angles C4'-P-C4' energy: -124.195 flat angles P-C4'-P energy: -82.873 tors. eta vs tors. theta energy: -176.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1722.982524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.982524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.982524 (E_RNA) where: Base-Base interactions energy: -1154.539 where: short stacking energy: -504.356 Base-Backbone interact. energy: -0.747 local terms energy: -567.696104 where: bonds (distance) C4'-P energy: -109.139 bonds (distance) P-C4' energy: -105.425 flat angles C4'-P-C4' energy: -125.721 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -149.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1596.816006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.816006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.816006 (E_RNA) where: Base-Base interactions energy: -1046.918 where: short stacking energy: -467.211 Base-Backbone interact. energy: -4.804 local terms energy: -545.094512 where: bonds (distance) C4'-P energy: -104.431 bonds (distance) P-C4' energy: -104.853 flat angles C4'-P-C4' energy: -122.153 flat angles P-C4'-P energy: -78.639 tors. eta vs tors. theta energy: -135.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1399.775488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.775488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.775488 (E_RNA) where: Base-Base interactions energy: -908.169 where: short stacking energy: -411.339 Base-Backbone interact. energy: -1.225 local terms energy: -490.381323 where: bonds (distance) C4'-P energy: -99.174 bonds (distance) P-C4' energy: -100.368 flat angles C4'-P-C4' energy: -110.870 flat angles P-C4'-P energy: -71.608 tors. eta vs tors. theta energy: -108.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1264.972572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.972572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.972572 (E_RNA) where: Base-Base interactions energy: -826.868 where: short stacking energy: -393.954 Base-Backbone interact. energy: -2.230 local terms energy: -435.874474 where: bonds (distance) C4'-P energy: -80.026 bonds (distance) P-C4' energy: -112.930 flat angles C4'-P-C4' energy: -85.000 flat angles P-C4'-P energy: -64.133 tors. eta vs tors. theta energy: -93.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1266.872970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.872970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.872970 (E_RNA) where: Base-Base interactions energy: -808.914 where: short stacking energy: -361.629 Base-Backbone interact. energy: -1.451 local terms energy: -456.508185 where: bonds (distance) C4'-P energy: -91.268 bonds (distance) P-C4' energy: -102.057 flat angles C4'-P-C4' energy: -101.436 flat angles P-C4'-P energy: -70.003 tors. eta vs tors. theta energy: -91.745 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: 126 Temperature: 1.200000 Total energy: -715.635023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.635023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.635023 (E_RNA) where: Base-Base interactions energy: -349.932 where: short stacking energy: -185.240 Base-Backbone interact. energy: -0.587 local terms energy: -365.116139 where: bonds (distance) C4'-P energy: -103.758 bonds (distance) P-C4' energy: -87.731 flat angles C4'-P-C4' energy: -110.116 flat angles P-C4'-P energy: -47.797 tors. eta vs tors. theta energy: -15.714 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: 9 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -685.957963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.957963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.957963 (E_RNA) where: Base-Base interactions energy: -358.834 where: short stacking energy: -190.623 Base-Backbone interact. energy: -4.155 local terms energy: -322.968792 where: bonds (distance) C4'-P energy: -89.936 bonds (distance) P-C4' energy: -100.695 flat angles C4'-P-C4' energy: -86.619 flat angles P-C4'-P energy: -51.212 tors. eta vs tors. theta energy: 5.494 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: 9, replica: 4 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -526.562574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.562574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.562574 (E_RNA) where: Base-Base interactions energy: -244.699 where: short stacking energy: -146.712 Base-Backbone interact. energy: 1.143 local terms energy: -283.006229 where: bonds (distance) C4'-P energy: -71.191 bonds (distance) P-C4' energy: -99.639 flat angles C4'-P-C4' energy: -88.330 flat angles P-C4'-P energy: -36.572 tors. eta vs tors. theta energy: 12.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -409.683605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.683605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.683605 (E_RNA) where: Base-Base interactions energy: -130.389 where: short stacking energy: -105.014 Base-Backbone interact. energy: -0.408 local terms energy: -278.886523 where: bonds (distance) C4'-P energy: -99.304 bonds (distance) P-C4' energy: -81.805 flat angles C4'-P-C4' energy: -70.836 flat angles P-C4'-P energy: -43.349 tors. eta vs tors. theta energy: 16.407 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: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1877.878761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.878761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.878761 (E_RNA) where: Base-Base interactions energy: -1270.668 where: short stacking energy: -557.497 Base-Backbone interact. energy: -1.833 local terms energy: -605.377912 where: bonds (distance) C4'-P energy: -117.888 bonds (distance) P-C4' energy: -109.656 flat angles C4'-P-C4' energy: -123.481 flat angles P-C4'-P energy: -86.874 tors. eta vs tors. theta energy: -167.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1753.649383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.649383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.649383 (E_RNA) where: Base-Base interactions energy: -1187.871 where: short stacking energy: -492.803 Base-Backbone interact. energy: -3.389 local terms energy: -562.389572 where: bonds (distance) C4'-P energy: -100.827 bonds (distance) P-C4' energy: -121.658 flat angles C4'-P-C4' energy: -126.453 flat angles P-C4'-P energy: -68.717 tors. eta vs tors. theta energy: -144.736 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: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1611.144018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.144018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.144018 (E_RNA) where: Base-Base interactions energy: -1066.046 where: short stacking energy: -476.631 Base-Backbone interact. energy: -2.436 local terms energy: -542.662278 where: bonds (distance) C4'-P energy: -105.362 bonds (distance) P-C4' energy: -111.159 flat angles C4'-P-C4' energy: -110.677 flat angles P-C4'-P energy: -70.129 tors. eta vs tors. theta energy: -145.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1450.751243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.751243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.751243 (E_RNA) where: Base-Base interactions energy: -956.473 where: short stacking energy: -421.803 Base-Backbone interact. energy: -1.385 local terms energy: -492.893520 where: bonds (distance) C4'-P energy: -107.627 bonds (distance) P-C4' energy: -116.860 flat angles C4'-P-C4' energy: -112.264 flat angles P-C4'-P energy: -52.420 tors. eta vs tors. theta energy: -103.723 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: 127 Temperature: 1.100000 Total energy: -1279.683296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.683296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.683296 (E_RNA) where: Base-Base interactions energy: -808.329 where: short stacking energy: -343.933 Base-Backbone interact. energy: 2.405 local terms energy: -473.759344 where: bonds (distance) C4'-P energy: -100.706 bonds (distance) P-C4' energy: -108.733 flat angles C4'-P-C4' energy: -117.081 flat angles P-C4'-P energy: -68.791 tors. eta vs tors. theta energy: -78.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1208.655065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.655065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.655065 (E_RNA) where: Base-Base interactions energy: -758.283 where: short stacking energy: -356.124 Base-Backbone interact. energy: -1.611 local terms energy: -448.760692 where: bonds (distance) C4'-P energy: -104.123 bonds (distance) P-C4' energy: -97.653 flat angles C4'-P-C4' energy: -109.644 flat angles P-C4'-P energy: -54.530 tors. eta vs tors. theta energy: -82.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -645.730931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.730931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.730931 (E_RNA) where: Base-Base interactions energy: -329.572 where: short stacking energy: -190.594 Base-Backbone interact. energy: 0.407 local terms energy: -316.565351 where: bonds (distance) C4'-P energy: -95.757 bonds (distance) P-C4' energy: -93.231 flat angles C4'-P-C4' energy: -91.412 flat angles P-C4'-P energy: -36.516 tors. eta vs tors. theta energy: 0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -637.100693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.100693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.100693 (E_RNA) where: Base-Base interactions energy: -286.218 where: short stacking energy: -193.846 Base-Backbone interact. energy: -1.288 local terms energy: -349.594301 where: bonds (distance) C4'-P energy: -77.553 bonds (distance) P-C4' energy: -112.402 flat angles C4'-P-C4' energy: -83.444 flat angles P-C4'-P energy: -54.786 tors. eta vs tors. theta energy: -21.409 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: 4 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -557.168709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.168709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.168709 (E_RNA) where: Base-Base interactions energy: -240.946 where: short stacking energy: -157.724 Base-Backbone interact. energy: -1.383 local terms energy: -314.839818 where: bonds (distance) C4'-P energy: -72.437 bonds (distance) P-C4' energy: -96.228 flat angles C4'-P-C4' energy: -88.037 flat angles P-C4'-P energy: -64.843 tors. eta vs tors. theta energy: 6.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -443.524749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.524749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.524749 (E_RNA) where: Base-Base interactions energy: -172.840 where: short stacking energy: -128.585 Base-Backbone interact. energy: 0.696 local terms energy: -271.380385 where: bonds (distance) C4'-P energy: -83.663 bonds (distance) P-C4' energy: -88.437 flat angles C4'-P-C4' energy: -87.480 flat angles P-C4'-P energy: -36.084 tors. eta vs tors. theta energy: 24.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1878.556303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.556303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.556303 (E_RNA) where: Base-Base interactions energy: -1256.806 where: short stacking energy: -566.269 Base-Backbone interact. energy: 0.197 local terms energy: -621.947233 where: bonds (distance) C4'-P energy: -110.434 bonds (distance) P-C4' energy: -112.319 flat angles C4'-P-C4' energy: -132.901 flat angles P-C4'-P energy: -95.394 tors. eta vs tors. theta energy: -170.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1716.922591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.922591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.922591 (E_RNA) where: Base-Base interactions energy: -1160.982 where: short stacking energy: -493.750 Base-Backbone interact. energy: 0.701 local terms energy: -556.640918 where: bonds (distance) C4'-P energy: -104.288 bonds (distance) P-C4' energy: -112.316 flat angles C4'-P-C4' energy: -121.328 flat angles P-C4'-P energy: -79.191 tors. eta vs tors. theta energy: -139.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1583.648511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.648511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.648511 (E_RNA) where: Base-Base interactions energy: -1063.387 where: short stacking energy: -469.807 Base-Backbone interact. energy: -3.792 local terms energy: -516.468644 where: bonds (distance) C4'-P energy: -99.061 bonds (distance) P-C4' energy: -106.574 flat angles C4'-P-C4' energy: -109.317 flat angles P-C4'-P energy: -76.943 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: 4, replica: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1424.513411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.513411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.513411 (E_RNA) where: Base-Base interactions energy: -914.531 where: short stacking energy: -433.589 Base-Backbone interact. energy: -0.984 local terms energy: -508.998640 where: bonds (distance) C4'-P energy: -98.030 bonds (distance) P-C4' energy: -107.663 flat angles C4'-P-C4' energy: -114.983 flat angles P-C4'-P energy: -72.166 tors. eta vs tors. theta energy: -116.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1280.213313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.213313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.213313 (E_RNA) where: Base-Base interactions energy: -821.038 where: short stacking energy: -376.865 Base-Backbone interact. energy: -1.247 local terms energy: -457.928270 where: bonds (distance) C4'-P energy: -90.255 bonds (distance) P-C4' energy: -103.513 flat angles C4'-P-C4' energy: -112.029 flat angles P-C4'-P energy: -60.360 tors. eta vs tors. theta energy: -91.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1170.289591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.289591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.289591 (E_RNA) where: Base-Base interactions energy: -745.639 where: short stacking energy: -340.503 Base-Backbone interact. energy: -0.460 local terms energy: -424.190304 where: bonds (distance) C4'-P energy: -98.540 bonds (distance) P-C4' energy: -97.610 flat angles C4'-P-C4' energy: -90.659 flat angles P-C4'-P energy: -52.222 tors. eta vs tors. theta energy: -85.160 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: 128 Temperature: 1.200000 Total energy: -699.183165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.183165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.183165 (E_RNA) where: Base-Base interactions energy: -330.062 where: short stacking energy: -172.761 Base-Backbone interact. energy: -1.039 local terms energy: -368.082481 where: bonds (distance) C4'-P energy: -93.729 bonds (distance) P-C4' energy: -113.116 flat angles C4'-P-C4' energy: -110.139 flat angles P-C4'-P energy: -47.885 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -632.682866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.682866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.682866 (E_RNA) where: Base-Base interactions energy: -298.414 where: short stacking energy: -183.518 Base-Backbone interact. energy: 7.980 local terms energy: -342.248377 where: bonds (distance) C4'-P energy: -88.437 bonds (distance) P-C4' energy: -84.086 flat angles C4'-P-C4' energy: -96.359 flat angles P-C4'-P energy: -58.075 tors. eta vs tors. theta energy: -15.291 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: 4 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -576.875466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.875466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.875466 (E_RNA) where: Base-Base interactions energy: -266.828 where: short stacking energy: -151.857 Base-Backbone interact. energy: 0.240 local terms energy: -310.287778 where: bonds (distance) C4'-P energy: -93.385 bonds (distance) P-C4' energy: -100.976 flat angles C4'-P-C4' energy: -64.915 flat angles P-C4'-P energy: -57.076 tors. eta vs tors. theta energy: 6.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -428.243004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.243004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.243004 (E_RNA) where: Base-Base interactions energy: -138.761 where: short stacking energy: -120.839 Base-Backbone interact. energy: 4.506 local terms energy: -293.988132 where: bonds (distance) C4'-P energy: -91.318 bonds (distance) P-C4' energy: -88.835 flat angles C4'-P-C4' energy: -81.402 flat angles P-C4'-P energy: -46.862 tors. eta vs tors. theta energy: 14.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1866.147340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.147340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.147340 (E_RNA) where: Base-Base interactions energy: -1265.347 where: short stacking energy: -551.954 Base-Backbone interact. energy: 0.133 local terms energy: -600.934086 where: bonds (distance) C4'-P energy: -109.404 bonds (distance) P-C4' energy: -125.361 flat angles C4'-P-C4' energy: -122.360 flat angles P-C4'-P energy: -73.532 tors. eta vs tors. theta energy: -170.278 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: 2 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1718.070448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.070448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.070448 (E_RNA) where: Base-Base interactions energy: -1140.622 where: short stacking energy: -471.950 Base-Backbone interact. energy: -1.754 local terms energy: -575.694101 where: bonds (distance) C4'-P energy: -114.473 bonds (distance) P-C4' energy: -103.105 flat angles C4'-P-C4' energy: -130.952 flat angles P-C4'-P energy: -83.409 tors. eta vs tors. theta energy: -143.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1578.754192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.754192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.754192 (E_RNA) where: Base-Base interactions energy: -1026.635 where: short stacking energy: -461.809 Base-Backbone interact. energy: -3.742 local terms energy: -548.376494 where: bonds (distance) C4'-P energy: -118.424 bonds (distance) P-C4' energy: -115.575 flat angles C4'-P-C4' energy: -117.685 flat angles P-C4'-P energy: -63.630 tors. eta vs tors. theta energy: -133.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1447.949379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.949379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.949379 (E_RNA) where: Base-Base interactions energy: -903.235 where: short stacking energy: -425.706 Base-Backbone interact. energy: -0.835 local terms energy: -543.879055 where: bonds (distance) C4'-P energy: -113.132 bonds (distance) P-C4' energy: -113.714 flat angles C4'-P-C4' energy: -117.426 flat angles P-C4'-P energy: -77.830 tors. eta vs tors. theta energy: -121.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1282.866949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.866949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.866949 (E_RNA) where: Base-Base interactions energy: -822.423 where: short stacking energy: -366.777 Base-Backbone interact. energy: -1.110 local terms energy: -459.333643 where: bonds (distance) C4'-P energy: -98.033 bonds (distance) P-C4' energy: -103.000 flat angles C4'-P-C4' energy: -112.899 flat angles P-C4'-P energy: -58.481 tors. eta vs tors. theta energy: -86.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1145.950841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.950841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.950841 (E_RNA) where: Base-Base interactions energy: -731.150 where: short stacking energy: -331.327 Base-Backbone interact. energy: -2.399 local terms energy: -412.402233 where: bonds (distance) C4'-P energy: -76.117 bonds (distance) P-C4' energy: -110.745 flat angles C4'-P-C4' energy: -103.737 flat angles P-C4'-P energy: -56.430 tors. eta vs tors. theta energy: -65.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -829.574310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.574310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.574310 (E_RNA) where: Base-Base interactions energy: -488.992 where: short stacking energy: -251.320 Base-Backbone interact. energy: -2.021 local terms energy: -338.561564 where: bonds (distance) C4'-P energy: -82.442 bonds (distance) P-C4' energy: -97.582 flat angles C4'-P-C4' energy: -84.684 flat angles P-C4'-P energy: -56.808 tors. eta vs tors. theta energy: -17.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -656.512596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.512596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.512596 (E_RNA) where: Base-Base interactions energy: -327.520 where: short stacking energy: -196.572 Base-Backbone interact. energy: 8.604 local terms energy: -337.596843 where: bonds (distance) C4'-P energy: -97.028 bonds (distance) P-C4' energy: -103.560 flat angles C4'-P-C4' energy: -94.479 flat angles P-C4'-P energy: -42.259 tors. eta vs tors. theta energy: -0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -538.804891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.804891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.804891 (E_RNA) where: Base-Base interactions energy: -219.510 where: short stacking energy: -94.463 Base-Backbone interact. energy: 0.818 local terms energy: -320.112441 where: bonds (distance) C4'-P energy: -88.888 bonds (distance) P-C4' energy: -108.987 flat angles C4'-P-C4' energy: -72.966 flat angles P-C4'-P energy: -52.323 tors. eta vs tors. theta energy: 3.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -435.991879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.991879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.991879 (E_RNA) where: Base-Base interactions energy: -143.697 where: short stacking energy: -132.603 Base-Backbone interact. energy: 0.716 local terms energy: -293.011592 where: bonds (distance) C4'-P energy: -89.589 bonds (distance) P-C4' energy: -91.901 flat angles C4'-P-C4' energy: -72.781 flat angles P-C4'-P energy: -50.229 tors. eta vs tors. theta energy: 11.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1864.092732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.092732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.092732 (E_RNA) where: Base-Base interactions energy: -1290.383 where: short stacking energy: -553.193 Base-Backbone interact. energy: -1.348 local terms energy: -572.361447 where: bonds (distance) C4'-P energy: -95.284 bonds (distance) P-C4' energy: -105.644 flat angles C4'-P-C4' energy: -123.604 flat angles P-C4'-P energy: -78.014 tors. eta vs tors. theta energy: -169.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1757.908212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.908212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.908212 (E_RNA) where: Base-Base interactions energy: -1188.599 where: short stacking energy: -505.962 Base-Backbone interact. energy: -1.599 local terms energy: -567.709428 where: bonds (distance) C4'-P energy: -109.015 bonds (distance) P-C4' energy: -114.030 flat angles C4'-P-C4' energy: -117.163 flat angles P-C4'-P energy: -78.923 tors. eta vs tors. theta energy: -148.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1594.247307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.247307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.247307 (E_RNA) where: Base-Base interactions energy: -1055.350 where: short stacking energy: -464.656 Base-Backbone interact. energy: -2.107 local terms energy: -536.790721 where: bonds (distance) C4'-P energy: -101.388 bonds (distance) P-C4' energy: -103.537 flat angles C4'-P-C4' energy: -121.729 flat angles P-C4'-P energy: -80.423 tors. eta vs tors. theta energy: -129.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1467.758976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.758976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.758976 (E_RNA) where: Base-Base interactions energy: -959.015 where: short stacking energy: -442.995 Base-Backbone interact. energy: -0.869 local terms energy: -507.874515 where: bonds (distance) C4'-P energy: -94.743 bonds (distance) P-C4' energy: -101.408 flat angles C4'-P-C4' energy: -109.394 flat angles P-C4'-P energy: -81.224 tors. eta vs tors. theta energy: -121.106 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: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1283.664478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.664478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.664478 (E_RNA) where: Base-Base interactions energy: -831.338 where: short stacking energy: -359.981 Base-Backbone interact. energy: 1.122 local terms energy: -453.448600 where: bonds (distance) C4'-P energy: -90.644 bonds (distance) P-C4' energy: -100.714 flat angles C4'-P-C4' energy: -108.426 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -88.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1194.700230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.700230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.700230 (E_RNA) where: Base-Base interactions energy: -750.902 where: short stacking energy: -329.949 Base-Backbone interact. energy: -2.739 local terms energy: -441.059298 where: bonds (distance) C4'-P energy: -90.474 bonds (distance) P-C4' energy: -95.433 flat angles C4'-P-C4' energy: -101.948 flat angles P-C4'-P energy: -70.087 tors. eta vs tors. theta energy: -83.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -865.003726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.003726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.003726 (E_RNA) where: Base-Base interactions energy: -476.302 where: short stacking energy: -237.735 Base-Backbone interact. energy: -1.069 local terms energy: -387.633356 where: bonds (distance) C4'-P energy: -88.054 bonds (distance) P-C4' energy: -104.905 flat angles C4'-P-C4' energy: -101.386 flat angles P-C4'-P energy: -58.302 tors. eta vs tors. theta energy: -34.987 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: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -642.960047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.960047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.960047 (E_RNA) where: Base-Base interactions energy: -332.644 where: short stacking energy: -187.305 Base-Backbone interact. energy: -0.639 local terms energy: -309.677652 where: bonds (distance) C4'-P energy: -101.800 bonds (distance) P-C4' energy: -97.977 flat angles C4'-P-C4' energy: -96.976 flat angles P-C4'-P energy: -23.514 tors. eta vs tors. theta energy: 10.589 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: 9, replica: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -605.084704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.084704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.084704 (E_RNA) where: Base-Base interactions energy: -293.870 where: short stacking energy: -192.574 Base-Backbone interact. energy: -0.727 local terms energy: -310.487757 where: bonds (distance) C4'-P energy: -84.484 bonds (distance) P-C4' energy: -91.877 flat angles C4'-P-C4' energy: -81.569 flat angles P-C4'-P energy: -49.372 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -433.931389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.931389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.931389 (E_RNA) where: Base-Base interactions energy: -142.802 where: short stacking energy: -129.251 Base-Backbone interact. energy: 0.240 local terms energy: -291.368575 where: bonds (distance) C4'-P energy: -95.988 bonds (distance) P-C4' energy: -75.381 flat angles C4'-P-C4' energy: -88.143 flat angles P-C4'-P energy: -38.661 tors. eta vs tors. theta energy: 6.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1875.224156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.224156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.224156 (E_RNA) where: Base-Base interactions energy: -1291.632 where: short stacking energy: -549.481 Base-Backbone interact. energy: 0.046 local terms energy: -583.638608 where: bonds (distance) C4'-P energy: -117.318 bonds (distance) P-C4' energy: -103.147 flat angles C4'-P-C4' energy: -121.698 flat angles P-C4'-P energy: -85.378 tors. eta vs tors. theta energy: -156.097 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: 131 Temperature: 0.950000 Total energy: -1734.684592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.684592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.684592 (E_RNA) where: Base-Base interactions energy: -1174.874 where: short stacking energy: -499.926 Base-Backbone interact. energy: -0.028 local terms energy: -559.782413 where: bonds (distance) C4'-P energy: -120.040 bonds (distance) P-C4' energy: -97.350 flat angles C4'-P-C4' energy: -124.193 flat angles P-C4'-P energy: -77.834 tors. eta vs tors. theta energy: -140.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1603.337754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.337754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.337754 (E_RNA) where: Base-Base interactions energy: -1068.516 where: short stacking energy: -455.982 Base-Backbone interact. energy: -2.230 local terms energy: -532.591332 where: bonds (distance) C4'-P energy: -108.589 bonds (distance) P-C4' energy: -108.935 flat angles C4'-P-C4' energy: -113.808 flat angles P-C4'-P energy: -74.212 tors. eta vs tors. theta energy: -127.048 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: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1498.801428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.801428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.801428 (E_RNA) where: Base-Base interactions energy: -947.823 where: short stacking energy: -467.796 Base-Backbone interact. energy: -1.874 local terms energy: -549.105218 where: bonds (distance) C4'-P energy: -97.521 bonds (distance) P-C4' energy: -107.185 flat angles C4'-P-C4' energy: -126.928 flat angles P-C4'-P energy: -78.929 tors. eta vs tors. theta energy: -138.542 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: 131 Temperature: 1.100000 Total energy: -1393.438245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.438245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.438245 (E_RNA) where: Base-Base interactions energy: -907.617 where: short stacking energy: -422.746 Base-Backbone interact. energy: 2.604 local terms energy: -488.425065 where: bonds (distance) C4'-P energy: -121.612 bonds (distance) P-C4' energy: -96.834 flat angles C4'-P-C4' energy: -92.839 flat angles P-C4'-P energy: -64.060 tors. eta vs tors. theta energy: -113.080 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: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1289.575087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.575087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.575087 (E_RNA) where: Base-Base interactions energy: -827.634 where: short stacking energy: -378.094 Base-Backbone interact. energy: -0.527 local terms energy: -461.413971 where: bonds (distance) C4'-P energy: -90.974 bonds (distance) P-C4' energy: -88.013 flat angles C4'-P-C4' energy: -103.783 flat angles P-C4'-P energy: -72.228 tors. eta vs tors. theta energy: -106.415 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: 9 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -808.707875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.707875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.707875 (E_RNA) where: Base-Base interactions energy: -441.024 where: short stacking energy: -216.367 Base-Backbone interact. energy: -2.219 local terms energy: -365.465061 where: bonds (distance) C4'-P energy: -79.792 bonds (distance) P-C4' energy: -80.721 flat angles C4'-P-C4' energy: -88.960 flat angles P-C4'-P energy: -70.515 tors. eta vs tors. theta energy: -45.477 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: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -604.667409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.667409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.667409 (E_RNA) where: Base-Base interactions energy: -258.612 where: short stacking energy: -166.289 Base-Backbone interact. energy: 2.621 local terms energy: -348.677061 where: bonds (distance) C4'-P energy: -102.510 bonds (distance) P-C4' energy: -101.915 flat angles C4'-P-C4' energy: -81.113 flat angles P-C4'-P energy: -57.646 tors. eta vs tors. theta energy: -5.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -601.105244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.105244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.105244 (E_RNA) where: Base-Base interactions energy: -295.234 where: short stacking energy: -156.073 Base-Backbone interact. energy: -1.610 local terms energy: -304.261474 where: bonds (distance) C4'-P energy: -95.868 bonds (distance) P-C4' energy: -79.114 flat angles C4'-P-C4' energy: -60.744 flat angles P-C4'-P energy: -65.367 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -440.230055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.230055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.230055 (E_RNA) where: Base-Base interactions energy: -136.467 where: short stacking energy: -114.657 Base-Backbone interact. energy: 1.226 local terms energy: -304.988955 where: bonds (distance) C4'-P energy: -106.756 bonds (distance) P-C4' energy: -100.980 flat angles C4'-P-C4' energy: -67.025 flat angles P-C4'-P energy: -39.837 tors. eta vs tors. theta energy: 9.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1857.220224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.220224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.220224 (E_RNA) where: Base-Base interactions energy: -1273.830 where: short stacking energy: -553.111 Base-Backbone interact. energy: -0.909 local terms energy: -582.481014 where: bonds (distance) C4'-P energy: -115.054 bonds (distance) P-C4' energy: -108.876 flat angles C4'-P-C4' energy: -128.087 flat angles P-C4'-P energy: -71.890 tors. eta vs tors. theta energy: -158.574 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: 132 Temperature: 0.950000 Total energy: -1742.128977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.128977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.128977 (E_RNA) where: Base-Base interactions energy: -1212.124 where: short stacking energy: -521.824 Base-Backbone interact. energy: -1.311 local terms energy: -528.693991 where: bonds (distance) C4'-P energy: -91.814 bonds (distance) P-C4' energy: -102.930 flat angles C4'-P-C4' energy: -112.775 flat angles P-C4'-P energy: -72.746 tors. eta vs tors. theta energy: -148.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1599.215747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.215747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.215747 (E_RNA) where: Base-Base interactions energy: -1040.367 where: short stacking energy: -481.592 Base-Backbone interact. energy: -3.753 local terms energy: -555.095750 where: bonds (distance) C4'-P energy: -104.256 bonds (distance) P-C4' energy: -114.519 flat angles C4'-P-C4' energy: -118.176 flat angles P-C4'-P energy: -74.158 tors. eta vs tors. theta energy: -143.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1463.960339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.960339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.960339 (E_RNA) where: Base-Base interactions energy: -924.549 where: short stacking energy: -457.650 Base-Backbone interact. energy: 2.105 local terms energy: -541.515676 where: bonds (distance) C4'-P energy: -112.131 bonds (distance) P-C4' energy: -103.591 flat angles C4'-P-C4' energy: -109.816 flat angles P-C4'-P energy: -80.207 tors. eta vs tors. theta energy: -135.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1366.107217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.107217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.107217 (E_RNA) where: Base-Base interactions energy: -903.259 where: short stacking energy: -413.901 Base-Backbone interact. energy: -3.921 local terms energy: -458.927305 where: bonds (distance) C4'-P energy: -93.666 bonds (distance) P-C4' energy: -95.911 flat angles C4'-P-C4' energy: -101.055 flat angles P-C4'-P energy: -68.163 tors. eta vs tors. theta energy: -100.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1234.672847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.672847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.672847 (E_RNA) where: Base-Base interactions energy: -780.631 where: short stacking energy: -355.944 Base-Backbone interact. energy: 0.627 local terms energy: -454.668911 where: bonds (distance) C4'-P energy: -99.045 bonds (distance) P-C4' energy: -99.540 flat angles C4'-P-C4' energy: -107.080 flat angles P-C4'-P energy: -63.806 tors. eta vs tors. theta energy: -85.198 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: 9 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -866.050160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.050160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.050160 (E_RNA) where: Base-Base interactions energy: -488.413 where: short stacking energy: -248.533 Base-Backbone interact. energy: -0.731 local terms energy: -376.905960 where: bonds (distance) C4'-P energy: -96.097 bonds (distance) P-C4' energy: -94.700 flat angles C4'-P-C4' energy: -86.902 flat angles P-C4'-P energy: -66.267 tors. eta vs tors. theta energy: -32.940 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: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -611.787542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.787542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.787542 (E_RNA) where: Base-Base interactions energy: -255.797 where: short stacking energy: -158.097 Base-Backbone interact. energy: -1.894 local terms energy: -354.096122 where: bonds (distance) C4'-P energy: -98.390 bonds (distance) P-C4' energy: -101.245 flat angles C4'-P-C4' energy: -83.843 flat angles P-C4'-P energy: -50.783 tors. eta vs tors. theta energy: -19.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -585.755739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.755739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.755739 (E_RNA) where: Base-Base interactions energy: -285.775 where: short stacking energy: -172.972 Base-Backbone interact. energy: -1.856 local terms energy: -298.124995 where: bonds (distance) C4'-P energy: -65.825 bonds (distance) P-C4' energy: -75.369 flat angles C4'-P-C4' energy: -95.027 flat angles P-C4'-P energy: -56.191 tors. eta vs tors. theta energy: -5.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -452.501155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.501155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.501155 (E_RNA) where: Base-Base interactions energy: -148.545 where: short stacking energy: -105.245 Base-Backbone interact. energy: 2.872 local terms energy: -306.828358 where: bonds (distance) C4'-P energy: -107.231 bonds (distance) P-C4' energy: -87.359 flat angles C4'-P-C4' energy: -72.737 flat angles P-C4'-P energy: -50.800 tors. eta vs tors. theta energy: 11.298 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: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1842.738103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.738103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.738103 (E_RNA) where: Base-Base interactions energy: -1259.825 where: short stacking energy: -532.561 Base-Backbone interact. energy: 0.027 local terms energy: -582.940136 where: bonds (distance) C4'-P energy: -107.255 bonds (distance) P-C4' energy: -119.052 flat angles C4'-P-C4' energy: -112.282 flat angles P-C4'-P energy: -83.168 tors. eta vs tors. theta energy: -161.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1751.587960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.587960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.587960 (E_RNA) where: Base-Base interactions energy: -1191.445 where: short stacking energy: -503.157 Base-Backbone interact. energy: -2.273 local terms energy: -557.869527 where: bonds (distance) C4'-P energy: -97.738 bonds (distance) P-C4' energy: -108.737 flat angles C4'-P-C4' energy: -126.340 flat angles P-C4'-P energy: -75.397 tors. eta vs tors. theta energy: -149.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1598.669039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.669039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.669039 (E_RNA) where: Base-Base interactions energy: -1068.804 where: short stacking energy: -474.926 Base-Backbone interact. energy: -2.677 local terms energy: -527.187958 where: bonds (distance) C4'-P energy: -108.185 bonds (distance) P-C4' energy: -92.935 flat angles C4'-P-C4' energy: -111.100 flat angles P-C4'-P energy: -78.966 tors. eta vs tors. theta energy: -136.001 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: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1452.679323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.679323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.679323 (E_RNA) where: Base-Base interactions energy: -946.038 where: short stacking energy: -441.264 Base-Backbone interact. energy: -3.482 local terms energy: -503.159068 where: bonds (distance) C4'-P energy: -104.574 bonds (distance) P-C4' energy: -105.106 flat angles C4'-P-C4' energy: -111.004 flat angles P-C4'-P energy: -62.088 tors. eta vs tors. theta energy: -120.387 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: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1314.748864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.748864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.748864 (E_RNA) where: Base-Base interactions energy: -846.741 where: short stacking energy: -372.797 Base-Backbone interact. energy: 0.798 local terms energy: -468.806219 where: bonds (distance) C4'-P energy: -78.591 bonds (distance) P-C4' energy: -108.563 flat angles C4'-P-C4' energy: -114.666 flat angles P-C4'-P energy: -74.679 tors. eta vs tors. theta energy: -92.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1200.533399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.533399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.533399 (E_RNA) where: Base-Base interactions energy: -748.382 where: short stacking energy: -346.812 Base-Backbone interact. energy: 1.718 local terms energy: -453.870068 where: bonds (distance) C4'-P energy: -100.393 bonds (distance) P-C4' energy: -93.231 flat angles C4'-P-C4' energy: -115.073 flat angles P-C4'-P energy: -59.709 tors. eta vs tors. theta energy: -85.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -785.177963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.177963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.177963 (E_RNA) where: Base-Base interactions energy: -430.838 where: short stacking energy: -229.187 Base-Backbone interact. energy: -2.411 local terms energy: -351.929293 where: bonds (distance) C4'-P energy: -92.273 bonds (distance) P-C4' energy: -92.522 flat angles C4'-P-C4' energy: -93.915 flat angles P-C4'-P energy: -52.024 tors. eta vs tors. theta energy: -21.194 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: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -642.897219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.897219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.897219 (E_RNA) where: Base-Base interactions energy: -303.837 where: short stacking energy: -181.544 Base-Backbone interact. energy: -1.126 local terms energy: -337.934798 where: bonds (distance) C4'-P energy: -79.554 bonds (distance) P-C4' energy: -91.321 flat angles C4'-P-C4' energy: -88.732 flat angles P-C4'-P energy: -50.333 tors. eta vs tors. theta energy: -27.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -532.300213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.300213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.300213 (E_RNA) where: Base-Base interactions energy: -204.901 where: short stacking energy: -149.493 Base-Backbone interact. energy: -0.218 local terms energy: -327.181131 where: bonds (distance) C4'-P energy: -87.591 bonds (distance) P-C4' energy: -96.508 flat angles C4'-P-C4' energy: -96.174 flat angles P-C4'-P energy: -54.027 tors. eta vs tors. theta energy: 7.119 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: 133 Temperature: 1.350000 Total energy: -427.684903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.684903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.684903 (E_RNA) where: Base-Base interactions energy: -146.583 where: short stacking energy: -126.798 Base-Backbone interact. energy: -1.728 local terms energy: -279.374420 where: bonds (distance) C4'-P energy: -69.542 bonds (distance) P-C4' energy: -89.622 flat angles C4'-P-C4' energy: -76.945 flat angles P-C4'-P energy: -49.887 tors. eta vs tors. theta energy: 6.622 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: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1847.081877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.081877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.081877 (E_RNA) where: Base-Base interactions energy: -1275.617 where: short stacking energy: -544.836 Base-Backbone interact. energy: -2.249 local terms energy: -569.215812 where: bonds (distance) C4'-P energy: -106.704 bonds (distance) P-C4' energy: -108.149 flat angles C4'-P-C4' energy: -122.865 flat angles P-C4'-P energy: -78.904 tors. eta vs tors. theta energy: -152.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1755.509845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.509845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.509845 (E_RNA) where: Base-Base interactions energy: -1187.936 where: short stacking energy: -507.408 Base-Backbone interact. energy: -0.704 local terms energy: -566.869803 where: bonds (distance) C4'-P energy: -104.633 bonds (distance) P-C4' energy: -108.721 flat angles C4'-P-C4' energy: -118.526 flat angles P-C4'-P energy: -87.878 tors. eta vs tors. theta energy: -147.112 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: 1 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1598.700924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.700924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.700924 (E_RNA) where: Base-Base interactions energy: -1060.280 where: short stacking energy: -474.769 Base-Backbone interact. energy: -3.960 local terms energy: -534.461281 where: bonds (distance) C4'-P energy: -92.736 bonds (distance) P-C4' energy: -105.877 flat angles C4'-P-C4' energy: -118.487 flat angles P-C4'-P energy: -81.208 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: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1376.890548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.890548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.890548 (E_RNA) where: Base-Base interactions energy: -882.466 where: short stacking energy: -388.994 Base-Backbone interact. energy: -1.004 local terms energy: -493.420251 where: bonds (distance) C4'-P energy: -103.611 bonds (distance) P-C4' energy: -104.788 flat angles C4'-P-C4' energy: -111.705 flat angles P-C4'-P energy: -66.429 tors. eta vs tors. theta energy: -106.888 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: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1297.440667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.440667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.440667 (E_RNA) where: Base-Base interactions energy: -853.040 where: short stacking energy: -364.518 Base-Backbone interact. energy: -3.054 local terms energy: -441.345983 where: bonds (distance) C4'-P energy: -94.045 bonds (distance) P-C4' energy: -99.720 flat angles C4'-P-C4' energy: -93.868 flat angles P-C4'-P energy: -65.152 tors. eta vs tors. theta energy: -88.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1274.090667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.090667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.090667 (E_RNA) where: Base-Base interactions energy: -807.790 where: short stacking energy: -367.426 Base-Backbone interact. energy: -0.401 local terms energy: -465.899896 where: bonds (distance) C4'-P energy: -101.257 bonds (distance) P-C4' energy: -101.521 flat angles C4'-P-C4' energy: -120.241 flat angles P-C4'-P energy: -49.107 tors. eta vs tors. theta energy: -93.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -862.188525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.188525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.188525 (E_RNA) where: Base-Base interactions energy: -496.570 where: short stacking energy: -247.154 Base-Backbone interact. energy: -1.082 local terms energy: -364.536390 where: bonds (distance) C4'-P energy: -96.975 bonds (distance) P-C4' energy: -88.556 flat angles C4'-P-C4' energy: -94.535 flat angles P-C4'-P energy: -59.366 tors. eta vs tors. theta energy: -25.105 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: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -659.317607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.317607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.317607 (E_RNA) where: Base-Base interactions energy: -322.738 where: short stacking energy: -178.462 Base-Backbone interact. energy: 0.952 local terms energy: -337.531201 where: bonds (distance) C4'-P energy: -97.422 bonds (distance) P-C4' energy: -80.426 flat angles C4'-P-C4' energy: -88.776 flat angles P-C4'-P energy: -59.669 tors. eta vs tors. theta energy: -11.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -499.665158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.665158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.665158 (E_RNA) where: Base-Base interactions energy: -225.269 where: short stacking energy: -140.473 Base-Backbone interact. energy: 2.145 local terms energy: -276.540692 where: bonds (distance) C4'-P energy: -76.889 bonds (distance) P-C4' energy: -99.552 flat angles C4'-P-C4' energy: -83.030 flat angles P-C4'-P energy: -28.343 tors. eta vs tors. theta energy: 11.274 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: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -425.415749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.415749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.415749 (E_RNA) where: Base-Base interactions energy: -161.992 where: short stacking energy: -91.026 Base-Backbone interact. energy: 1.484 local terms energy: -264.908194 where: bonds (distance) C4'-P energy: -91.193 bonds (distance) P-C4' energy: -95.299 flat angles C4'-P-C4' energy: -79.945 flat angles P-C4'-P energy: -32.265 tors. eta vs tors. theta energy: 33.794 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: 1, replica: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1862.462480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.462480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.462480 (E_RNA) where: Base-Base interactions energy: -1272.365 where: short stacking energy: -551.266 Base-Backbone interact. energy: -0.269 local terms energy: -589.828639 where: bonds (distance) C4'-P energy: -110.511 bonds (distance) P-C4' energy: -110.364 flat angles C4'-P-C4' energy: -130.507 flat angles P-C4'-P energy: -82.947 tors. eta vs tors. theta energy: -155.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1748.144008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.144008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.144008 (E_RNA) where: Base-Base interactions energy: -1182.218 where: short stacking energy: -496.640 Base-Backbone interact. energy: -2.332 local terms energy: -563.593977 where: bonds (distance) C4'-P energy: -108.669 bonds (distance) P-C4' energy: -102.449 flat angles C4'-P-C4' energy: -130.603 flat angles P-C4'-P energy: -76.434 tors. eta vs tors. theta energy: -145.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1598.895875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.895875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.895875 (E_RNA) where: Base-Base interactions energy: -1067.092 where: short stacking energy: -458.794 Base-Backbone interact. energy: -3.000 local terms energy: -528.803581 where: bonds (distance) C4'-P energy: -110.649 bonds (distance) P-C4' energy: -111.273 flat angles C4'-P-C4' energy: -111.868 flat angles P-C4'-P energy: -66.918 tors. eta vs tors. theta energy: -128.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1406.938212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.938212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.938212 (E_RNA) where: Base-Base interactions energy: -912.608 where: short stacking energy: -411.589 Base-Backbone interact. energy: -1.699 local terms energy: -492.631320 where: bonds (distance) C4'-P energy: -104.991 bonds (distance) P-C4' energy: -98.859 flat angles C4'-P-C4' energy: -105.452 flat angles P-C4'-P energy: -76.406 tors. eta vs tors. theta energy: -106.923 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: 5 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1286.995918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.995918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.995918 (E_RNA) where: Base-Base interactions energy: -824.159 where: short stacking energy: -380.209 Base-Backbone interact. energy: -1.565 local terms energy: -461.271957 where: bonds (distance) C4'-P energy: -100.164 bonds (distance) P-C4' energy: -102.980 flat angles C4'-P-C4' energy: -107.376 flat angles P-C4'-P energy: -55.854 tors. eta vs tors. theta energy: -94.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1308.050105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.050105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.050105 (E_RNA) where: Base-Base interactions energy: -847.853 where: short stacking energy: -384.252 Base-Backbone interact. energy: -2.174 local terms energy: -458.024050 where: bonds (distance) C4'-P energy: -76.514 bonds (distance) P-C4' energy: -111.092 flat angles C4'-P-C4' energy: -102.473 flat angles P-C4'-P energy: -67.546 tors. eta vs tors. theta energy: -100.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -739.385599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.385599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.385599 (E_RNA) where: Base-Base interactions energy: -384.668 where: short stacking energy: -223.099 Base-Backbone interact. energy: 0.484 local terms energy: -355.201362 where: bonds (distance) C4'-P energy: -78.963 bonds (distance) P-C4' energy: -99.147 flat angles C4'-P-C4' energy: -99.153 flat angles P-C4'-P energy: -59.248 tors. eta vs tors. theta energy: -18.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -631.578892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.578892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.578892 (E_RNA) where: Base-Base interactions energy: -311.603 where: short stacking energy: -200.681 Base-Backbone interact. energy: 3.396 local terms energy: -323.371601 where: bonds (distance) C4'-P energy: -82.743 bonds (distance) P-C4' energy: -96.756 flat angles C4'-P-C4' energy: -83.481 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: -4.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -520.566115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.566115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.566115 (E_RNA) where: Base-Base interactions energy: -184.983 where: short stacking energy: -110.784 Base-Backbone interact. energy: -3.595 local terms energy: -331.988259 where: bonds (distance) C4'-P energy: -96.950 bonds (distance) P-C4' energy: -103.069 flat angles C4'-P-C4' energy: -91.112 flat angles P-C4'-P energy: -49.813 tors. eta vs tors. theta energy: 8.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -434.135518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.135518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.135518 (E_RNA) where: Base-Base interactions energy: -178.112 where: short stacking energy: -125.221 Base-Backbone interact. energy: 0.154 local terms energy: -256.177509 where: bonds (distance) C4'-P energy: -59.916 bonds (distance) P-C4' energy: -84.276 flat angles C4'-P-C4' energy: -75.892 flat angles P-C4'-P energy: -44.454 tors. eta vs tors. theta energy: 8.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1833.774739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.774739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.774739 (E_RNA) where: Base-Base interactions energy: -1255.918 where: short stacking energy: -555.365 Base-Backbone interact. energy: -2.583 local terms energy: -575.273866 where: bonds (distance) C4'-P energy: -105.411 bonds (distance) P-C4' energy: -110.533 flat angles C4'-P-C4' energy: -119.113 flat angles P-C4'-P energy: -81.066 tors. eta vs tors. theta energy: -159.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1738.566896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.566896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.566896 (E_RNA) where: Base-Base interactions energy: -1183.738 where: short stacking energy: -499.448 Base-Backbone interact. energy: -3.016 local terms energy: -551.813023 where: bonds (distance) C4'-P energy: -92.236 bonds (distance) P-C4' energy: -110.459 flat angles C4'-P-C4' energy: -126.151 flat angles P-C4'-P energy: -66.734 tors. eta vs tors. theta energy: -156.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1607.729870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.729870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.729870 (E_RNA) where: Base-Base interactions energy: -1081.621 where: short stacking energy: -445.961 Base-Backbone interact. energy: -1.241 local terms energy: -524.867494 where: bonds (distance) C4'-P energy: -95.721 bonds (distance) P-C4' energy: -111.715 flat angles C4'-P-C4' energy: -122.821 flat angles P-C4'-P energy: -73.563 tors. eta vs tors. theta energy: -121.048 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: 4, replica: 3 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1442.565418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.565418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.565418 (E_RNA) where: Base-Base interactions energy: -973.647 where: short stacking energy: -419.263 Base-Backbone interact. energy: 5.417 local terms energy: -474.335357 where: bonds (distance) C4'-P energy: -93.395 bonds (distance) P-C4' energy: -102.265 flat angles C4'-P-C4' energy: -115.108 flat angles P-C4'-P energy: -69.516 tors. eta vs tors. theta energy: -94.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1344.672575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.672575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.672575 (E_RNA) where: Base-Base interactions energy: -844.690 where: short stacking energy: -402.404 Base-Backbone interact. energy: -1.187 local terms energy: -498.795572 where: bonds (distance) C4'-P energy: -115.172 bonds (distance) P-C4' energy: -93.634 flat angles C4'-P-C4' energy: -117.906 flat angles P-C4'-P energy: -60.197 tors. eta vs tors. theta energy: -111.886 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: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1344.092891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.092891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.092891 (E_RNA) where: Base-Base interactions energy: -863.884 where: short stacking energy: -379.777 Base-Backbone interact. energy: -1.111 local terms energy: -479.098092 where: bonds (distance) C4'-P energy: -109.701 bonds (distance) P-C4' energy: -98.200 flat angles C4'-P-C4' energy: -96.232 flat angles P-C4'-P energy: -68.164 tors. eta vs tors. theta energy: -106.801 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: 7, replica: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -734.496340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.496340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.496340 (E_RNA) where: Base-Base interactions energy: -373.841 where: short stacking energy: -218.275 Base-Backbone interact. energy: -3.030 local terms energy: -357.625476 where: bonds (distance) C4'-P energy: -94.628 bonds (distance) P-C4' energy: -86.240 flat angles C4'-P-C4' energy: -92.406 flat angles P-C4'-P energy: -59.176 tors. eta vs tors. theta energy: -25.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -613.159928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.159928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.159928 (E_RNA) where: Base-Base interactions energy: -280.860 where: short stacking energy: -183.347 Base-Backbone interact. energy: -0.676 local terms energy: -331.623770 where: bonds (distance) C4'-P energy: -98.189 bonds (distance) P-C4' energy: -107.348 flat angles C4'-P-C4' energy: -68.410 flat angles P-C4'-P energy: -40.566 tors. eta vs tors. theta energy: -17.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -544.816192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.816192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.816192 (E_RNA) where: Base-Base interactions energy: -233.235 where: short stacking energy: -151.681 Base-Backbone interact. energy: 5.699 local terms energy: -317.280234 where: bonds (distance) C4'-P energy: -91.394 bonds (distance) P-C4' energy: -84.631 flat angles C4'-P-C4' energy: -89.405 flat angles P-C4'-P energy: -43.165 tors. eta vs tors. theta energy: -8.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -408.107466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.107466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.107466 (E_RNA) where: Base-Base interactions energy: -121.527 where: short stacking energy: -99.174 Base-Backbone interact. energy: 3.841 local terms energy: -290.421370 where: bonds (distance) C4'-P energy: -114.245 bonds (distance) P-C4' energy: -89.778 flat angles C4'-P-C4' energy: -76.539 flat angles P-C4'-P energy: -47.930 tors. eta vs tors. theta energy: 38.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1843.302730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.302730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.302730 (E_RNA) where: Base-Base interactions energy: -1253.797 where: short stacking energy: -557.227 Base-Backbone interact. energy: -1.982 local terms energy: -587.523794 where: bonds (distance) C4'-P energy: -117.806 bonds (distance) P-C4' energy: -93.302 flat angles C4'-P-C4' energy: -125.446 flat angles P-C4'-P energy: -85.200 tors. eta vs tors. theta energy: -165.769 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: 2, replica: 2 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1724.808296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.808296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.808296 (E_RNA) where: Base-Base interactions energy: -1153.095 where: short stacking energy: -497.215 Base-Backbone interact. energy: -5.822 local terms energy: -565.890928 where: bonds (distance) C4'-P energy: -118.903 bonds (distance) P-C4' energy: -109.004 flat angles C4'-P-C4' energy: -122.362 flat angles P-C4'-P energy: -68.838 tors. eta vs tors. theta energy: -146.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1598.598669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.598669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.598669 (E_RNA) where: Base-Base interactions energy: -1050.954 where: short stacking energy: -472.674 Base-Backbone interact. energy: -5.006 local terms energy: -542.639150 where: bonds (distance) C4'-P energy: -99.742 bonds (distance) P-C4' energy: -108.400 flat angles C4'-P-C4' energy: -107.913 flat angles P-C4'-P energy: -85.759 tors. eta vs tors. theta energy: -140.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1427.804371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.804371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.804371 (E_RNA) where: Base-Base interactions energy: -936.778 where: short stacking energy: -391.546 Base-Backbone interact. energy: -1.938 local terms energy: -489.088438 where: bonds (distance) C4'-P energy: -101.647 bonds (distance) P-C4' energy: -95.481 flat angles C4'-P-C4' energy: -123.448 flat angles P-C4'-P energy: -63.120 tors. eta vs tors. theta energy: -105.392 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: 5 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1323.895001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.895001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.895001 (E_RNA) where: Base-Base interactions energy: -841.880 where: short stacking energy: -395.724 Base-Backbone interact. energy: -1.843 local terms energy: -480.171817 where: bonds (distance) C4'-P energy: -109.760 bonds (distance) P-C4' energy: -93.388 flat angles C4'-P-C4' energy: -105.240 flat angles P-C4'-P energy: -66.061 tors. eta vs tors. theta energy: -105.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1252.858603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.858603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.858603 (E_RNA) where: Base-Base interactions energy: -780.851 where: short stacking energy: -332.387 Base-Backbone interact. energy: -2.859 local terms energy: -469.149079 where: bonds (distance) C4'-P energy: -111.356 bonds (distance) P-C4' energy: -109.177 flat angles C4'-P-C4' energy: -110.512 flat angles P-C4'-P energy: -60.945 tors. eta vs tors. theta energy: -77.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -684.367212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.367212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.367212 (E_RNA) where: Base-Base interactions energy: -323.555 where: short stacking energy: -180.179 Base-Backbone interact. energy: 1.539 local terms energy: -362.351080 where: bonds (distance) C4'-P energy: -98.207 bonds (distance) P-C4' energy: -121.351 flat angles C4'-P-C4' energy: -86.713 flat angles P-C4'-P energy: -49.297 tors. eta vs tors. theta energy: -6.783 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: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -562.155176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.155176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.155176 (E_RNA) where: Base-Base interactions energy: -218.331 where: short stacking energy: -145.552 Base-Backbone interact. energy: -0.103 local terms energy: -343.721291 where: bonds (distance) C4'-P energy: -106.469 bonds (distance) P-C4' energy: -99.015 flat angles C4'-P-C4' energy: -81.867 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: -6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -511.426041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.426041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.426041 (E_RNA) where: Base-Base interactions energy: -200.997 where: short stacking energy: -145.564 Base-Backbone interact. energy: -0.518 local terms energy: -309.911877 where: bonds (distance) C4'-P energy: -72.093 bonds (distance) P-C4' energy: -91.448 flat angles C4'-P-C4' energy: -86.921 flat angles P-C4'-P energy: -59.863 tors. eta vs tors. theta energy: 0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -405.933676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.933676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.933676 (E_RNA) where: Base-Base interactions energy: -144.958 where: short stacking energy: -127.264 Base-Backbone interact. energy: 2.621 local terms energy: -263.596836 where: bonds (distance) C4'-P energy: -74.834 bonds (distance) P-C4' energy: -90.120 flat angles C4'-P-C4' energy: -82.010 flat angles P-C4'-P energy: -47.700 tors. eta vs tors. theta energy: 31.066 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: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1834.939782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.939782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.939782 (E_RNA) where: Base-Base interactions energy: -1267.218 where: short stacking energy: -535.749 Base-Backbone interact. energy: -1.716 local terms energy: -566.005199 where: bonds (distance) C4'-P energy: -87.719 bonds (distance) P-C4' energy: -109.329 flat angles C4'-P-C4' energy: -121.687 flat angles P-C4'-P energy: -74.624 tors. eta vs tors. theta energy: -172.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1708.639930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.639930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.639930 (E_RNA) where: Base-Base interactions energy: -1139.374 where: short stacking energy: -505.019 Base-Backbone interact. energy: -4.471 local terms energy: -564.794889 where: bonds (distance) C4'-P energy: -105.389 bonds (distance) P-C4' energy: -118.263 flat angles C4'-P-C4' energy: -126.738 flat angles P-C4'-P energy: -67.004 tors. eta vs tors. theta energy: -147.402 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: 1 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1592.488326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.488326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.488326 (E_RNA) where: Base-Base interactions energy: -1048.436 where: short stacking energy: -478.228 Base-Backbone interact. energy: -4.270 local terms energy: -539.782104 where: bonds (distance) C4'-P energy: -106.907 bonds (distance) P-C4' energy: -103.786 flat angles C4'-P-C4' energy: -110.590 flat angles P-C4'-P energy: -79.143 tors. eta vs tors. theta energy: -139.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1441.420981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.420981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.420981 (E_RNA) where: Base-Base interactions energy: -933.464 where: short stacking energy: -400.926 Base-Backbone interact. energy: -4.651 local terms energy: -503.306469 where: bonds (distance) C4'-P energy: -103.149 bonds (distance) P-C4' energy: -104.360 flat angles C4'-P-C4' energy: -111.299 flat angles P-C4'-P energy: -85.955 tors. eta vs tors. theta energy: -98.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1280.168810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.168810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.168810 (E_RNA) where: Base-Base interactions energy: -826.514 where: short stacking energy: -389.184 Base-Backbone interact. energy: -1.483 local terms energy: -452.172434 where: bonds (distance) C4'-P energy: -100.038 bonds (distance) P-C4' energy: -97.209 flat angles C4'-P-C4' energy: -98.442 flat angles P-C4'-P energy: -66.992 tors. eta vs tors. theta energy: -89.492 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: 6, replica: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1287.285842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.285842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.285842 (E_RNA) where: Base-Base interactions energy: -825.855 where: short stacking energy: -381.219 Base-Backbone interact. energy: 3.440 local terms energy: -464.870303 where: bonds (distance) C4'-P energy: -99.986 bonds (distance) P-C4' energy: -94.374 flat angles C4'-P-C4' energy: -109.616 flat angles P-C4'-P energy: -72.893 tors. eta vs tors. theta energy: -88.003 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: 138 Temperature: 1.200000 Total energy: -667.432268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.432268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.432268 (E_RNA) where: Base-Base interactions energy: -317.178 where: short stacking energy: -202.321 Base-Backbone interact. energy: -1.360 local terms energy: -348.894557 where: bonds (distance) C4'-P energy: -99.824 bonds (distance) P-C4' energy: -112.897 flat angles C4'-P-C4' energy: -69.888 flat angles P-C4'-P energy: -51.774 tors. eta vs tors. theta energy: -14.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -579.652850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.652850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.652850 (E_RNA) where: Base-Base interactions energy: -247.628 where: short stacking energy: -174.697 Base-Backbone interact. energy: -0.776 local terms energy: -331.248335 where: bonds (distance) C4'-P energy: -102.945 bonds (distance) P-C4' energy: -90.574 flat angles C4'-P-C4' energy: -90.854 flat angles P-C4'-P energy: -48.631 tors. eta vs tors. theta energy: 1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -530.723151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.723151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.723151 (E_RNA) where: Base-Base interactions energy: -245.976 where: short stacking energy: -164.648 Base-Backbone interact. energy: 2.330 local terms energy: -287.076690 where: bonds (distance) C4'-P energy: -76.649 bonds (distance) P-C4' energy: -96.427 flat angles C4'-P-C4' energy: -64.520 flat angles P-C4'-P energy: -43.859 tors. eta vs tors. theta energy: -5.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -414.730078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.730078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.730078 (E_RNA) where: Base-Base interactions energy: -155.668 where: short stacking energy: -106.648 Base-Backbone interact. energy: -0.782 local terms energy: -258.280522 where: bonds (distance) C4'-P energy: -79.745 bonds (distance) P-C4' energy: -84.877 flat angles C4'-P-C4' energy: -91.767 flat angles P-C4'-P energy: -45.039 tors. eta vs tors. theta energy: 43.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1863.865208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.865208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.865208 (E_RNA) where: Base-Base interactions energy: -1268.997 where: short stacking energy: -571.593 Base-Backbone interact. energy: -3.442 local terms energy: -591.426071 where: bonds (distance) C4'-P energy: -108.446 bonds (distance) P-C4' energy: -101.458 flat angles C4'-P-C4' energy: -130.690 flat angles P-C4'-P energy: -83.209 tors. eta vs tors. theta energy: -167.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1716.642697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.642697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.642697 (E_RNA) where: Base-Base interactions energy: -1151.282 where: short stacking energy: -508.736 Base-Backbone interact. energy: -4.301 local terms energy: -561.059142 where: bonds (distance) C4'-P energy: -112.089 bonds (distance) P-C4' energy: -106.203 flat angles C4'-P-C4' energy: -115.545 flat angles P-C4'-P energy: -74.570 tors. eta vs tors. theta energy: -152.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1572.202912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.202912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.202912 (E_RNA) where: Base-Base interactions energy: -1035.665 where: short stacking energy: -443.642 Base-Backbone interact. energy: -1.054 local terms energy: -535.483673 where: bonds (distance) C4'-P energy: -105.890 bonds (distance) P-C4' energy: -101.812 flat angles C4'-P-C4' energy: -123.693 flat angles P-C4'-P energy: -71.970 tors. eta vs tors. theta energy: -132.119 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: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1404.673398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.673398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.673398 (E_RNA) where: Base-Base interactions energy: -940.140 where: short stacking energy: -382.431 Base-Backbone interact. energy: -0.062 local terms energy: -464.471431 where: bonds (distance) C4'-P energy: -97.549 bonds (distance) P-C4' energy: -91.092 flat angles C4'-P-C4' energy: -115.371 flat angles P-C4'-P energy: -64.387 tors. eta vs tors. theta energy: -96.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1315.469976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.469976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.469976 (E_RNA) where: Base-Base interactions energy: -831.060 where: short stacking energy: -379.844 Base-Backbone interact. energy: -0.301 local terms energy: -484.108615 where: bonds (distance) C4'-P energy: -118.044 bonds (distance) P-C4' energy: -95.299 flat angles C4'-P-C4' energy: -105.681 flat angles P-C4'-P energy: -66.618 tors. eta vs tors. theta energy: -98.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1313.890490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.890490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.890490 (E_RNA) where: Base-Base interactions energy: -842.357 where: short stacking energy: -384.871 Base-Backbone interact. energy: 0.070 local terms energy: -471.604266 where: bonds (distance) C4'-P energy: -100.420 bonds (distance) P-C4' energy: -99.455 flat angles C4'-P-C4' energy: -95.292 flat angles P-C4'-P energy: -60.665 tors. eta vs tors. theta energy: -115.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -706.090805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.090805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.090805 (E_RNA) where: Base-Base interactions energy: -361.108 where: short stacking energy: -224.388 Base-Backbone interact. energy: 3.975 local terms energy: -348.958202 where: bonds (distance) C4'-P energy: -78.758 bonds (distance) P-C4' energy: -95.685 flat angles C4'-P-C4' energy: -87.680 flat angles P-C4'-P energy: -54.408 tors. eta vs tors. theta energy: -32.428 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: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -573.803449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.803449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.803449 (E_RNA) where: Base-Base interactions energy: -235.018 where: short stacking energy: -135.157 Base-Backbone interact. energy: -1.827 local terms energy: -336.959048 where: bonds (distance) C4'-P energy: -97.817 bonds (distance) P-C4' energy: -93.273 flat angles C4'-P-C4' energy: -87.502 flat angles P-C4'-P energy: -52.737 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: 139 Temperature: 1.300000 Total energy: -511.827677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.827677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.827677 (E_RNA) where: Base-Base interactions energy: -216.036 where: short stacking energy: -129.986 Base-Backbone interact. energy: -1.782 local terms energy: -294.009065 where: bonds (distance) C4'-P energy: -84.879 bonds (distance) P-C4' energy: -97.397 flat angles C4'-P-C4' energy: -92.543 flat angles P-C4'-P energy: -49.690 tors. eta vs tors. theta energy: 30.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -399.313157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.313157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.313157 (E_RNA) where: Base-Base interactions energy: -125.081 where: short stacking energy: -105.204 Base-Backbone interact. energy: -1.115 local terms energy: -273.117343 where: bonds (distance) C4'-P energy: -89.638 bonds (distance) P-C4' energy: -93.897 flat angles C4'-P-C4' energy: -79.539 flat angles P-C4'-P energy: -33.902 tors. eta vs tors. theta energy: 23.859 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: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1861.197453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.197453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.197453 (E_RNA) where: Base-Base interactions energy: -1260.152 where: short stacking energy: -565.482 Base-Backbone interact. energy: -3.187 local terms energy: -597.858883 where: bonds (distance) C4'-P energy: -109.806 bonds (distance) P-C4' energy: -106.225 flat angles C4'-P-C4' energy: -128.997 flat angles P-C4'-P energy: -84.051 tors. eta vs tors. theta energy: -168.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1715.495041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.495041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.495041 (E_RNA) where: Base-Base interactions energy: -1152.497 where: short stacking energy: -497.099 Base-Backbone interact. energy: -2.530 local terms energy: -560.468129 where: bonds (distance) C4'-P energy: -92.041 bonds (distance) P-C4' energy: -118.770 flat angles C4'-P-C4' energy: -129.803 flat angles P-C4'-P energy: -76.266 tors. eta vs tors. theta energy: -143.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1571.181147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.181147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.181147 (E_RNA) where: Base-Base interactions energy: -1053.913 where: short stacking energy: -446.835 Base-Backbone interact. energy: -3.884 local terms energy: -513.383670 where: bonds (distance) C4'-P energy: -97.077 bonds (distance) P-C4' energy: -103.999 flat angles C4'-P-C4' energy: -115.445 flat angles P-C4'-P energy: -67.809 tors. eta vs tors. theta energy: -129.053 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: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1431.734872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.734872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.734872 (E_RNA) where: Base-Base interactions energy: -960.394 where: short stacking energy: -392.358 Base-Backbone interact. energy: -0.486 local terms energy: -470.854659 where: bonds (distance) C4'-P energy: -79.903 bonds (distance) P-C4' energy: -104.417 flat angles C4'-P-C4' energy: -113.237 flat angles P-C4'-P energy: -70.131 tors. eta vs tors. theta energy: -103.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1351.702135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.702135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.702135 (E_RNA) where: Base-Base interactions energy: -857.039 where: short stacking energy: -374.827 Base-Backbone interact. energy: 0.122 local terms energy: -494.784239 where: bonds (distance) C4'-P energy: -94.559 bonds (distance) P-C4' energy: -108.599 flat angles C4'-P-C4' energy: -100.660 flat angles P-C4'-P energy: -87.832 tors. eta vs tors. theta energy: -103.134 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: 140 Temperature: 1.150000 Total energy: -1246.350483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.350483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.350483 (E_RNA) where: Base-Base interactions energy: -802.453 where: short stacking energy: -379.077 Base-Backbone interact. energy: -1.696 local terms energy: -442.202156 where: bonds (distance) C4'-P energy: -98.583 bonds (distance) P-C4' energy: -104.183 flat angles C4'-P-C4' energy: -104.252 flat angles P-C4'-P energy: -48.619 tors. eta vs tors. theta energy: -86.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -768.479979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.479979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.479979 (E_RNA) where: Base-Base interactions energy: -397.201 where: short stacking energy: -180.205 Base-Backbone interact. energy: -1.199 local terms energy: -370.080466 where: bonds (distance) C4'-P energy: -85.573 bonds (distance) P-C4' energy: -109.215 flat angles C4'-P-C4' energy: -94.683 flat angles P-C4'-P energy: -57.370 tors. eta vs tors. theta energy: -23.239 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: 4 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -581.359833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.359833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.359833 (E_RNA) where: Base-Base interactions energy: -230.891 where: short stacking energy: -173.022 Base-Backbone interact. energy: -1.567 local terms energy: -348.901664 where: bonds (distance) C4'-P energy: -90.665 bonds (distance) P-C4' energy: -113.126 flat angles C4'-P-C4' energy: -83.143 flat angles P-C4'-P energy: -51.268 tors. eta vs tors. theta energy: -10.699 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: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -510.832821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.832821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.832821 (E_RNA) where: Base-Base interactions energy: -186.649 where: short stacking energy: -137.376 Base-Backbone interact. energy: -0.136 local terms energy: -324.048379 where: bonds (distance) C4'-P energy: -92.992 bonds (distance) P-C4' energy: -108.480 flat angles C4'-P-C4' energy: -89.160 flat angles P-C4'-P energy: -45.325 tors. eta vs tors. theta energy: 11.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -409.890230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.890230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.890230 (E_RNA) where: Base-Base interactions energy: -130.949 where: short stacking energy: -114.574 Base-Backbone interact. energy: -2.634 local terms energy: -276.307500 where: bonds (distance) C4'-P energy: -79.887 bonds (distance) P-C4' energy: -79.979 flat angles C4'-P-C4' energy: -81.267 flat angles P-C4'-P energy: -49.209 tors. eta vs tors. theta energy: 14.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1850.857267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.857267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.857267 (E_RNA) where: Base-Base interactions energy: -1268.660 where: short stacking energy: -550.820 Base-Backbone interact. energy: -2.115 local terms energy: -580.082403 where: bonds (distance) C4'-P energy: -88.886 bonds (distance) P-C4' energy: -107.394 flat angles C4'-P-C4' energy: -130.317 flat angles P-C4'-P energy: -87.311 tors. eta vs tors. theta energy: -166.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1700.563443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.563443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.563443 (E_RNA) where: Base-Base interactions energy: -1137.627 where: short stacking energy: -481.248 Base-Backbone interact. energy: -6.216 local terms energy: -556.719684 where: bonds (distance) C4'-P energy: -123.223 bonds (distance) P-C4' energy: -112.944 flat angles C4'-P-C4' energy: -106.321 flat angles P-C4'-P energy: -79.106 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: 3, replica: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1603.634927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.634927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.634927 (E_RNA) where: Base-Base interactions energy: -1077.151 where: short stacking energy: -473.252 Base-Backbone interact. energy: -1.008 local terms energy: -525.475677 where: bonds (distance) C4'-P energy: -97.464 bonds (distance) P-C4' energy: -113.964 flat angles C4'-P-C4' energy: -116.779 flat angles P-C4'-P energy: -70.528 tors. eta vs tors. theta energy: -126.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1461.355193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.355193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.355193 (E_RNA) where: Base-Base interactions energy: -980.205 where: short stacking energy: -430.312 Base-Backbone interact. energy: -3.038 local terms energy: -478.112141 where: bonds (distance) C4'-P energy: -101.249 bonds (distance) P-C4' energy: -98.836 flat angles C4'-P-C4' energy: -98.125 flat angles P-C4'-P energy: -68.539 tors. eta vs tors. theta energy: -111.363 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: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1387.244076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.244076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.244076 (E_RNA) where: Base-Base interactions energy: -903.170 where: short stacking energy: -422.053 Base-Backbone interact. energy: -1.329 local terms energy: -482.744809 where: bonds (distance) C4'-P energy: -100.920 bonds (distance) P-C4' energy: -91.798 flat angles C4'-P-C4' energy: -99.990 flat angles P-C4'-P energy: -70.731 tors. eta vs tors. theta energy: -119.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1239.084140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.084140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.084140 (E_RNA) where: Base-Base interactions energy: -784.657 where: short stacking energy: -354.597 Base-Backbone interact. energy: -3.959 local terms energy: -450.468198 where: bonds (distance) C4'-P energy: -87.895 bonds (distance) P-C4' energy: -108.787 flat angles C4'-P-C4' energy: -94.765 flat angles P-C4'-P energy: -69.166 tors. eta vs tors. theta energy: -89.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -785.041962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.041962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.041962 (E_RNA) where: Base-Base interactions energy: -459.380 where: short stacking energy: -238.272 Base-Backbone interact. energy: 8.130 local terms energy: -333.792296 where: bonds (distance) C4'-P energy: -90.488 bonds (distance) P-C4' energy: -94.420 flat angles C4'-P-C4' energy: -83.227 flat angles P-C4'-P energy: -41.614 tors. eta vs tors. theta energy: -24.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -620.383703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.383703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.383703 (E_RNA) where: Base-Base interactions energy: -299.716 where: short stacking energy: -154.467 Base-Backbone interact. energy: 3.208 local terms energy: -323.876515 where: bonds (distance) C4'-P energy: -97.589 bonds (distance) P-C4' energy: -98.316 flat angles C4'-P-C4' energy: -90.186 flat angles P-C4'-P energy: -38.759 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: 9, replica: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -530.068916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.068916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.068916 (E_RNA) where: Base-Base interactions energy: -232.746 where: short stacking energy: -148.381 Base-Backbone interact. energy: 0.272 local terms energy: -297.595139 where: bonds (distance) C4'-P energy: -89.803 bonds (distance) P-C4' energy: -80.284 flat angles C4'-P-C4' energy: -81.242 flat angles P-C4'-P energy: -42.734 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: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -421.561616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.561616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.561616 (E_RNA) where: Base-Base interactions energy: -113.907 where: short stacking energy: -93.276 Base-Backbone interact. energy: 2.964 local terms energy: -310.618489 where: bonds (distance) C4'-P energy: -102.697 bonds (distance) P-C4' energy: -82.303 flat angles C4'-P-C4' energy: -88.275 flat angles P-C4'-P energy: -58.000 tors. eta vs tors. theta energy: 20.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1848.603376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.603376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.603376 (E_RNA) where: Base-Base interactions energy: -1259.167 where: short stacking energy: -550.951 Base-Backbone interact. energy: -1.166 local terms energy: -588.270907 where: bonds (distance) C4'-P energy: -113.032 bonds (distance) P-C4' energy: -111.013 flat angles C4'-P-C4' energy: -113.188 flat angles P-C4'-P energy: -89.179 tors. eta vs tors. theta energy: -161.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1721.507416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.507416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.507416 (E_RNA) where: Base-Base interactions energy: -1160.515 where: short stacking energy: -499.133 Base-Backbone interact. energy: -2.621 local terms energy: -558.371762 where: bonds (distance) C4'-P energy: -107.764 bonds (distance) P-C4' energy: -106.938 flat angles C4'-P-C4' energy: -115.874 flat angles P-C4'-P energy: -81.796 tors. eta vs tors. theta energy: -145.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1597.431740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.431740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.431740 (E_RNA) where: Base-Base interactions energy: -1066.958 where: short stacking energy: -438.507 Base-Backbone interact. energy: -0.064 local terms energy: -530.409461 where: bonds (distance) C4'-P energy: -93.172 bonds (distance) P-C4' energy: -99.331 flat angles C4'-P-C4' energy: -126.479 flat angles P-C4'-P energy: -80.125 tors. eta vs tors. theta energy: -131.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1421.253528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.253528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.253528 (E_RNA) where: Base-Base interactions energy: -957.474 where: short stacking energy: -405.128 Base-Backbone interact. energy: -0.545 local terms energy: -463.234454 where: bonds (distance) C4'-P energy: -94.248 bonds (distance) P-C4' energy: -99.401 flat angles C4'-P-C4' energy: -108.095 flat angles P-C4'-P energy: -54.278 tors. eta vs tors. theta energy: -107.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1374.797294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.797294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.797294 (E_RNA) where: Base-Base interactions energy: -888.105 where: short stacking energy: -412.990 Base-Backbone interact. energy: -2.917 local terms energy: -483.775422 where: bonds (distance) C4'-P energy: -106.801 bonds (distance) P-C4' energy: -90.169 flat angles C4'-P-C4' energy: -104.973 flat angles P-C4'-P energy: -82.943 tors. eta vs tors. theta energy: -98.889 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: 6, replica: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1231.286086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.286086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.286086 (E_RNA) where: Base-Base interactions energy: -796.123 where: short stacking energy: -364.013 Base-Backbone interact. energy: 1.493 local terms energy: -436.655808 where: bonds (distance) C4'-P energy: -84.250 bonds (distance) P-C4' energy: -97.551 flat angles C4'-P-C4' energy: -107.404 flat angles P-C4'-P energy: -66.871 tors. eta vs tors. theta energy: -80.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -817.122088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.122088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.122088 (E_RNA) where: Base-Base interactions energy: -424.482 where: short stacking energy: -230.516 Base-Backbone interact. energy: -2.321 local terms energy: -390.318273 where: bonds (distance) C4'-P energy: -103.024 bonds (distance) P-C4' energy: -103.730 flat angles C4'-P-C4' energy: -95.388 flat angles P-C4'-P energy: -66.349 tors. eta vs tors. theta energy: -21.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -645.103930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.103930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.103930 (E_RNA) where: Base-Base interactions energy: -311.844 where: short stacking energy: -186.819 Base-Backbone interact. energy: 0.711 local terms energy: -333.971467 where: bonds (distance) C4'-P energy: -98.643 bonds (distance) P-C4' energy: -102.617 flat angles C4'-P-C4' energy: -81.815 flat angles P-C4'-P energy: -31.201 tors. eta vs tors. theta energy: -19.695 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: 142 Temperature: 1.300000 Total energy: -514.457066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.457066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.457066 (E_RNA) where: Base-Base interactions energy: -222.117 where: short stacking energy: -151.956 Base-Backbone interact. energy: 2.614 local terms energy: -294.954308 where: bonds (distance) C4'-P energy: -81.063 bonds (distance) P-C4' energy: -96.902 flat angles C4'-P-C4' energy: -78.247 flat angles P-C4'-P energy: -48.539 tors. eta vs tors. theta energy: 9.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -422.397847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.397847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.397847 (E_RNA) where: Base-Base interactions energy: -142.013 where: short stacking energy: -110.012 Base-Backbone interact. energy: 0.314 local terms energy: -280.698636 where: bonds (distance) C4'-P energy: -81.427 bonds (distance) P-C4' energy: -107.731 flat angles C4'-P-C4' energy: -69.147 flat angles P-C4'-P energy: -41.096 tors. eta vs tors. theta energy: 18.702 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: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1850.325489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.325489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.325489 (E_RNA) where: Base-Base interactions energy: -1241.172 where: short stacking energy: -536.242 Base-Backbone interact. energy: -0.477 local terms energy: -608.675829 where: bonds (distance) C4'-P energy: -105.691 bonds (distance) P-C4' energy: -122.778 flat angles C4'-P-C4' energy: -126.310 flat angles P-C4'-P energy: -89.071 tors. eta vs tors. theta energy: -164.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1754.252439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.252439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.252439 (E_RNA) where: Base-Base interactions energy: -1185.536 where: short stacking energy: -523.433 Base-Backbone interact. energy: -2.529 local terms energy: -566.187293 where: bonds (distance) C4'-P energy: -88.268 bonds (distance) P-C4' energy: -117.995 flat angles C4'-P-C4' energy: -130.556 flat angles P-C4'-P energy: -71.897 tors. eta vs tors. theta energy: -157.472 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: 1 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1613.905546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.905546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.905546 (E_RNA) where: Base-Base interactions energy: -1055.442 where: short stacking energy: -457.538 Base-Backbone interact. energy: -3.924 local terms energy: -554.539088 where: bonds (distance) C4'-P energy: -102.172 bonds (distance) P-C4' energy: -113.214 flat angles C4'-P-C4' energy: -129.370 flat angles P-C4'-P energy: -73.538 tors. eta vs tors. theta energy: -136.245 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: 4, replica: 3 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1427.553466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.553466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.553466 (E_RNA) where: Base-Base interactions energy: -961.029 where: short stacking energy: -413.255 Base-Backbone interact. energy: -0.762 local terms energy: -465.762651 where: bonds (distance) C4'-P energy: -89.225 bonds (distance) P-C4' energy: -103.430 flat angles C4'-P-C4' energy: -102.772 flat angles P-C4'-P energy: -68.476 tors. eta vs tors. theta energy: -101.860 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: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1372.763915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.763915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.763915 (E_RNA) where: Base-Base interactions energy: -900.800 where: short stacking energy: -398.317 Base-Backbone interact. energy: 0.458 local terms energy: -472.421946 where: bonds (distance) C4'-P energy: -89.675 bonds (distance) P-C4' energy: -107.243 flat angles C4'-P-C4' energy: -107.459 flat angles P-C4'-P energy: -65.215 tors. eta vs tors. theta energy: -102.829 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: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1306.397346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.397346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.397346 (E_RNA) where: Base-Base interactions energy: -825.904 where: short stacking energy: -365.552 Base-Backbone interact. energy: -2.924 local terms energy: -477.569621 where: bonds (distance) C4'-P energy: -87.998 bonds (distance) P-C4' energy: -103.986 flat angles C4'-P-C4' energy: -116.430 flat angles P-C4'-P energy: -66.736 tors. eta vs tors. theta energy: -102.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -749.927368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.927368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.927368 (E_RNA) where: Base-Base interactions energy: -389.327 where: short stacking energy: -207.738 Base-Backbone interact. energy: -1.857 local terms energy: -358.743505 where: bonds (distance) C4'-P energy: -98.368 bonds (distance) P-C4' energy: -104.297 flat angles C4'-P-C4' energy: -74.250 flat angles P-C4'-P energy: -49.133 tors. eta vs tors. theta energy: -32.695 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: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -663.421621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.421621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.421621 (E_RNA) where: Base-Base interactions energy: -300.870 where: short stacking energy: -168.012 Base-Backbone interact. energy: -0.721 local terms energy: -361.830239 where: bonds (distance) C4'-P energy: -86.536 bonds (distance) P-C4' energy: -105.052 flat angles C4'-P-C4' energy: -94.005 flat angles P-C4'-P energy: -62.301 tors. eta vs tors. theta energy: -13.937 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: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -519.211244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.211244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.211244 (E_RNA) where: Base-Base interactions energy: -246.379 where: short stacking energy: -130.824 Base-Backbone interact. energy: -2.838 local terms energy: -269.994525 where: bonds (distance) C4'-P energy: -68.459 bonds (distance) P-C4' energy: -96.959 flat angles C4'-P-C4' energy: -75.029 flat angles P-C4'-P energy: -36.908 tors. eta vs tors. theta energy: 7.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -420.414987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.414987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.414987 (E_RNA) where: Base-Base interactions energy: -134.620 where: short stacking energy: -104.458 Base-Backbone interact. energy: -0.629 local terms energy: -285.166332 where: bonds (distance) C4'-P energy: -95.380 bonds (distance) P-C4' energy: -115.284 flat angles C4'-P-C4' energy: -65.604 flat angles P-C4'-P energy: -42.033 tors. eta vs tors. theta energy: 33.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1879.959167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.959167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.959167 (E_RNA) where: Base-Base interactions energy: -1291.397 where: short stacking energy: -531.556 Base-Backbone interact. energy: -2.088 local terms energy: -586.474504 where: bonds (distance) C4'-P energy: -104.852 bonds (distance) P-C4' energy: -122.077 flat angles C4'-P-C4' energy: -121.815 flat angles P-C4'-P energy: -85.227 tors. eta vs tors. theta energy: -152.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1723.409657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.409657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.409657 (E_RNA) where: Base-Base interactions energy: -1165.299 where: short stacking energy: -522.692 Base-Backbone interact. energy: 2.772 local terms energy: -560.882946 where: bonds (distance) C4'-P energy: -108.864 bonds (distance) P-C4' energy: -101.334 flat angles C4'-P-C4' energy: -110.616 flat angles P-C4'-P energy: -86.105 tors. eta vs tors. theta energy: -153.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1568.547244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.547244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.547244 (E_RNA) where: Base-Base interactions energy: -1016.554 where: short stacking energy: -488.666 Base-Backbone interact. energy: 4.342 local terms energy: -556.335311 where: bonds (distance) C4'-P energy: -107.611 bonds (distance) P-C4' energy: -103.544 flat angles C4'-P-C4' energy: -114.707 flat angles P-C4'-P energy: -90.067 tors. eta vs tors. theta energy: -140.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1482.383328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.383328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.383328 (E_RNA) where: Base-Base interactions energy: -957.260 where: short stacking energy: -428.849 Base-Backbone interact. energy: -0.656 local terms energy: -524.467907 where: bonds (distance) C4'-P energy: -101.911 bonds (distance) P-C4' energy: -106.016 flat angles C4'-P-C4' energy: -112.014 flat angles P-C4'-P energy: -80.115 tors. eta vs tors. theta energy: -124.411 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: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1396.740633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.740633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.740633 (E_RNA) where: Base-Base interactions energy: -910.603 where: short stacking energy: -430.681 Base-Backbone interact. energy: 0.654 local terms energy: -486.791549 where: bonds (distance) C4'-P energy: -88.454 bonds (distance) P-C4' energy: -106.195 flat angles C4'-P-C4' energy: -107.933 flat angles P-C4'-P energy: -69.920 tors. eta vs tors. theta energy: -114.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1318.564617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.564617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.564617 (E_RNA) where: Base-Base interactions energy: -884.440 where: short stacking energy: -370.878 Base-Backbone interact. energy: -1.708 local terms energy: -432.417207 where: bonds (distance) C4'-P energy: -100.100 bonds (distance) P-C4' energy: -81.832 flat angles C4'-P-C4' energy: -92.244 flat angles P-C4'-P energy: -70.559 tors. eta vs tors. theta energy: -87.682 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: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -830.738374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.738374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.738374 (E_RNA) where: Base-Base interactions energy: -474.289 where: short stacking energy: -229.705 Base-Backbone interact. energy: -0.926 local terms energy: -355.523323 where: bonds (distance) C4'-P energy: -97.871 bonds (distance) P-C4' energy: -101.110 flat angles C4'-P-C4' energy: -86.674 flat angles P-C4'-P energy: -48.650 tors. eta vs tors. theta energy: -21.219 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: 8, replica: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -636.682391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.682391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.682391 (E_RNA) where: Base-Base interactions energy: -318.146 where: short stacking energy: -202.481 Base-Backbone interact. energy: 2.416 local terms energy: -320.953022 where: bonds (distance) C4'-P energy: -84.823 bonds (distance) P-C4' energy: -89.483 flat angles C4'-P-C4' energy: -88.931 flat angles P-C4'-P energy: -52.693 tors. eta vs tors. theta energy: -5.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -534.780392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.780392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.780392 (E_RNA) where: Base-Base interactions energy: -253.135 where: short stacking energy: -135.289 Base-Backbone interact. energy: -4.356 local terms energy: -277.289175 where: bonds (distance) C4'-P energy: -96.777 bonds (distance) P-C4' energy: -82.523 flat angles C4'-P-C4' energy: -98.523 flat angles P-C4'-P energy: -29.748 tors. eta vs tors. theta energy: 30.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -409.152004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.152004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.152004 (E_RNA) where: Base-Base interactions energy: -142.783 where: short stacking energy: -118.181 Base-Backbone interact. energy: 1.151 local terms energy: -267.520276 where: bonds (distance) C4'-P energy: -72.557 bonds (distance) P-C4' energy: -85.996 flat angles C4'-P-C4' energy: -69.423 flat angles P-C4'-P energy: -48.092 tors. eta vs tors. theta energy: 8.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1871.165286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.165286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.165286 (E_RNA) where: Base-Base interactions energy: -1262.030 where: short stacking energy: -525.453 Base-Backbone interact. energy: -5.768 local terms energy: -603.367477 where: bonds (distance) C4'-P energy: -112.442 bonds (distance) P-C4' energy: -112.783 flat angles C4'-P-C4' energy: -130.187 flat angles P-C4'-P energy: -88.941 tors. eta vs tors. theta energy: -159.015 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: 2 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1701.063523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.063523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.063523 (E_RNA) where: Base-Base interactions energy: -1144.940 where: short stacking energy: -485.321 Base-Backbone interact. energy: -0.883 local terms energy: -555.240348 where: bonds (distance) C4'-P energy: -115.245 bonds (distance) P-C4' energy: -103.486 flat angles C4'-P-C4' energy: -119.496 flat angles P-C4'-P energy: -84.300 tors. eta vs tors. theta energy: -132.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1555.321960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.321960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.321960 (E_RNA) where: Base-Base interactions energy: -1007.202 where: short stacking energy: -441.753 Base-Backbone interact. energy: -4.785 local terms energy: -543.335043 where: bonds (distance) C4'-P energy: -103.665 bonds (distance) P-C4' energy: -105.504 flat angles C4'-P-C4' energy: -114.811 flat angles P-C4'-P energy: -83.738 tors. eta vs tors. theta energy: -135.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1486.450185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.450185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.450185 (E_RNA) where: Base-Base interactions energy: -984.220 where: short stacking energy: -440.578 Base-Backbone interact. energy: 1.786 local terms energy: -504.015992 where: bonds (distance) C4'-P energy: -108.008 bonds (distance) P-C4' energy: -95.328 flat angles C4'-P-C4' energy: -129.493 flat angles P-C4'-P energy: -55.758 tors. eta vs tors. theta energy: -115.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1401.445476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.445476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.445476 (E_RNA) where: Base-Base interactions energy: -892.890 where: short stacking energy: -409.098 Base-Backbone interact. energy: -2.376 local terms energy: -506.179459 where: bonds (distance) C4'-P energy: -103.119 bonds (distance) P-C4' energy: -110.891 flat angles C4'-P-C4' energy: -111.187 flat angles P-C4'-P energy: -64.518 tors. eta vs tors. theta energy: -116.464 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: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1250.488220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.488220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.488220 (E_RNA) where: Base-Base interactions energy: -799.054 where: short stacking energy: -363.099 Base-Backbone interact. energy: -0.234 local terms energy: -451.200437 where: bonds (distance) C4'-P energy: -101.404 bonds (distance) P-C4' energy: -111.627 flat angles C4'-P-C4' energy: -84.807 flat angles P-C4'-P energy: -62.254 tors. eta vs tors. theta energy: -91.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -787.073423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.073423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.073423 (E_RNA) where: Base-Base interactions energy: -424.295 where: short stacking energy: -202.047 Base-Backbone interact. energy: -2.184 local terms energy: -360.594715 where: bonds (distance) C4'-P energy: -105.643 bonds (distance) P-C4' energy: -85.277 flat angles C4'-P-C4' energy: -79.283 flat angles P-C4'-P energy: -64.114 tors. eta vs tors. theta energy: -26.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -512.879304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.879304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.879304 (E_RNA) where: Base-Base interactions energy: -202.610 where: short stacking energy: -173.132 Base-Backbone interact. energy: -1.683 local terms energy: -308.586225 where: bonds (distance) C4'-P energy: -88.476 bonds (distance) P-C4' energy: -92.687 flat angles C4'-P-C4' energy: -85.053 flat angles P-C4'-P energy: -58.888 tors. eta vs tors. theta energy: 16.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -597.171119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.171119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.171119 (E_RNA) where: Base-Base interactions energy: -262.468 where: short stacking energy: -165.726 Base-Backbone interact. energy: -1.229 local terms energy: -333.474594 where: bonds (distance) C4'-P energy: -102.827 bonds (distance) P-C4' energy: -98.920 flat angles C4'-P-C4' energy: -91.172 flat angles P-C4'-P energy: -27.312 tors. eta vs tors. theta energy: -13.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -422.643385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.643385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.643385 (E_RNA) where: Base-Base interactions energy: -138.421 where: short stacking energy: -124.962 Base-Backbone interact. energy: 0.906 local terms energy: -285.128255 where: bonds (distance) C4'-P energy: -86.496 bonds (distance) P-C4' energy: -91.348 flat angles C4'-P-C4' energy: -76.841 flat angles P-C4'-P energy: -39.763 tors. eta vs tors. theta energy: 9.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1883.936370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.936370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.936370 (E_RNA) where: Base-Base interactions energy: -1285.805 where: short stacking energy: -554.838 Base-Backbone interact. energy: -3.635 local terms energy: -594.496587 where: bonds (distance) C4'-P energy: -108.904 bonds (distance) P-C4' energy: -109.949 flat angles C4'-P-C4' energy: -122.968 flat angles P-C4'-P energy: -87.978 tors. eta vs tors. theta energy: -164.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1707.565193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.565193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.565193 (E_RNA) where: Base-Base interactions energy: -1127.790 where: short stacking energy: -472.389 Base-Backbone interact. energy: -2.047 local terms energy: -577.728767 where: bonds (distance) C4'-P energy: -118.801 bonds (distance) P-C4' energy: -118.556 flat angles C4'-P-C4' energy: -125.572 flat angles P-C4'-P energy: -73.497 tors. eta vs tors. theta energy: -141.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1577.535367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.535367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.535367 (E_RNA) where: Base-Base interactions energy: -1047.582 where: short stacking energy: -457.739 Base-Backbone interact. energy: -2.628 local terms energy: -527.325175 where: bonds (distance) C4'-P energy: -105.423 bonds (distance) P-C4' energy: -112.761 flat angles C4'-P-C4' energy: -118.836 flat angles P-C4'-P energy: -59.853 tors. eta vs tors. theta energy: -130.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1443.029136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.029136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.029136 (E_RNA) where: Base-Base interactions energy: -932.061 where: short stacking energy: -415.181 Base-Backbone interact. energy: 0.367 local terms energy: -511.335618 where: bonds (distance) C4'-P energy: -87.589 bonds (distance) P-C4' energy: -117.985 flat angles C4'-P-C4' energy: -113.947 flat angles P-C4'-P energy: -72.131 tors. eta vs tors. theta energy: -119.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1400.285143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.285143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.285143 (E_RNA) where: Base-Base interactions energy: -909.237 where: short stacking energy: -413.517 Base-Backbone interact. energy: -1.633 local terms energy: -489.415442 where: bonds (distance) C4'-P energy: -99.050 bonds (distance) P-C4' energy: -95.534 flat angles C4'-P-C4' energy: -107.670 flat angles P-C4'-P energy: -68.839 tors. eta vs tors. theta energy: -118.323 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: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1235.198229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.198229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.198229 (E_RNA) where: Base-Base interactions energy: -784.483 where: short stacking energy: -351.841 Base-Backbone interact. energy: -2.260 local terms energy: -448.455255 where: bonds (distance) C4'-P energy: -93.083 bonds (distance) P-C4' energy: -110.300 flat angles C4'-P-C4' energy: -107.161 flat angles P-C4'-P energy: -40.541 tors. eta vs tors. theta energy: -97.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -846.003742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.003742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.003742 (E_RNA) where: Base-Base interactions energy: -453.766 where: short stacking energy: -261.555 Base-Backbone interact. energy: 2.129 local terms energy: -394.367155 where: bonds (distance) C4'-P energy: -100.986 bonds (distance) P-C4' energy: -101.806 flat angles C4'-P-C4' energy: -93.126 flat angles P-C4'-P energy: -61.851 tors. eta vs tors. theta energy: -36.598 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: 146 Temperature: 1.250000 Total energy: -483.616225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.616225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.616225 (E_RNA) where: Base-Base interactions energy: -170.498 where: short stacking energy: -146.249 Base-Backbone interact. energy: 0.699 local terms energy: -313.816936 where: bonds (distance) C4'-P energy: -78.878 bonds (distance) P-C4' energy: -94.355 flat angles C4'-P-C4' energy: -88.168 flat angles P-C4'-P energy: -47.092 tors. eta vs tors. theta energy: -5.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -577.498551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.498551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.498551 (E_RNA) where: Base-Base interactions energy: -277.931 where: short stacking energy: -166.728 Base-Backbone interact. energy: 3.676 local terms energy: -303.244166 where: bonds (distance) C4'-P energy: -93.013 bonds (distance) P-C4' energy: -98.017 flat angles C4'-P-C4' energy: -70.826 flat angles P-C4'-P energy: -43.927 tors. eta vs tors. theta energy: 2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -407.280464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.280464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.280464 (E_RNA) where: Base-Base interactions energy: -117.697 where: short stacking energy: -93.101 Base-Backbone interact. energy: 0.007 local terms energy: -289.590472 where: bonds (distance) C4'-P energy: -87.164 bonds (distance) P-C4' energy: -101.203 flat angles C4'-P-C4' energy: -70.197 flat angles P-C4'-P energy: -46.856 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: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1904.022277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.022277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.022277 (E_RNA) where: Base-Base interactions energy: -1301.696 where: short stacking energy: -545.870 Base-Backbone interact. energy: -3.609 local terms energy: -598.717888 where: bonds (distance) C4'-P energy: -111.654 bonds (distance) P-C4' energy: -125.598 flat angles C4'-P-C4' energy: -122.466 flat angles P-C4'-P energy: -73.490 tors. eta vs tors. theta energy: -165.510 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: 2 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1703.983430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.983430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.983430 (E_RNA) where: Base-Base interactions energy: -1155.573 where: short stacking energy: -499.364 Base-Backbone interact. energy: -1.810 local terms energy: -546.599915 where: bonds (distance) C4'-P energy: -101.196 bonds (distance) P-C4' energy: -110.312 flat angles C4'-P-C4' energy: -122.765 flat angles P-C4'-P energy: -77.227 tors. eta vs tors. theta energy: -135.100 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: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1589.730662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.730662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.730662 (E_RNA) where: Base-Base interactions energy: -1066.666 where: short stacking energy: -466.232 Base-Backbone interact. energy: -4.546 local terms energy: -518.519261 where: bonds (distance) C4'-P energy: -111.571 bonds (distance) P-C4' energy: -95.413 flat angles C4'-P-C4' energy: -123.092 flat angles P-C4'-P energy: -65.395 tors. eta vs tors. theta energy: -123.048 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: 4, replica: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1418.288778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.288778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.288778 (E_RNA) where: Base-Base interactions energy: -932.666 where: short stacking energy: -424.883 Base-Backbone interact. energy: 2.688 local terms energy: -488.310268 where: bonds (distance) C4'-P energy: -92.917 bonds (distance) P-C4' energy: -108.951 flat angles C4'-P-C4' energy: -109.811 flat angles P-C4'-P energy: -67.744 tors. eta vs tors. theta energy: -108.888 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: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1382.473092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.473092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.473092 (E_RNA) where: Base-Base interactions energy: -921.936 where: short stacking energy: -412.570 Base-Backbone interact. energy: -1.609 local terms energy: -458.927965 where: bonds (distance) C4'-P energy: -85.682 bonds (distance) P-C4' energy: -95.377 flat angles C4'-P-C4' energy: -107.686 flat angles P-C4'-P energy: -66.738 tors. eta vs tors. theta energy: -103.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1245.386407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.386407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.386407 (E_RNA) where: Base-Base interactions energy: -787.303 where: short stacking energy: -349.713 Base-Backbone interact. energy: -1.847 local terms energy: -456.235919 where: bonds (distance) C4'-P energy: -94.062 bonds (distance) P-C4' energy: -88.483 flat angles C4'-P-C4' energy: -106.105 flat angles P-C4'-P energy: -74.314 tors. eta vs tors. theta energy: -93.271 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: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -885.509019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.509019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.509019 (E_RNA) where: Base-Base interactions energy: -483.115 where: short stacking energy: -261.245 Base-Backbone interact. energy: -2.527 local terms energy: -399.867038 where: bonds (distance) C4'-P energy: -87.689 bonds (distance) P-C4' energy: -98.720 flat angles C4'-P-C4' energy: -94.693 flat angles P-C4'-P energy: -62.626 tors. eta vs tors. theta energy: -56.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -644.577295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.577295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.577295 (E_RNA) where: Base-Base interactions energy: -296.949 where: short stacking energy: -193.250 Base-Backbone interact. energy: 3.553 local terms energy: -351.181173 where: bonds (distance) C4'-P energy: -96.176 bonds (distance) P-C4' energy: -103.002 flat angles C4'-P-C4' energy: -80.551 flat angles P-C4'-P energy: -55.849 tors. eta vs tors. theta energy: -15.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -483.416792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.416792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.416792 (E_RNA) where: Base-Base interactions energy: -175.198 where: short stacking energy: -123.374 Base-Backbone interact. energy: 1.042 local terms energy: -309.260277 where: bonds (distance) C4'-P energy: -80.351 bonds (distance) P-C4' energy: -98.541 flat angles C4'-P-C4' energy: -82.086 flat angles P-C4'-P energy: -52.497 tors. eta vs tors. theta energy: 4.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -440.525425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.525425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.525425 (E_RNA) where: Base-Base interactions energy: -140.919 where: short stacking energy: -127.932 Base-Backbone interact. energy: -1.938 local terms energy: -297.668356 where: bonds (distance) C4'-P energy: -85.614 bonds (distance) P-C4' energy: -101.219 flat angles C4'-P-C4' energy: -65.536 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: 6.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1877.491668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.491668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.491668 (E_RNA) where: Base-Base interactions energy: -1273.297 where: short stacking energy: -543.236 Base-Backbone interact. energy: -0.834 local terms energy: -603.361402 where: bonds (distance) C4'-P energy: -120.787 bonds (distance) P-C4' energy: -107.809 flat angles C4'-P-C4' energy: -141.279 flat angles P-C4'-P energy: -69.764 tors. eta vs tors. theta energy: -163.722 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: 2 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1661.973325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.973325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.973325 (E_RNA) where: Base-Base interactions energy: -1106.780 where: short stacking energy: -494.234 Base-Backbone interact. energy: -0.467 local terms energy: -554.726327 where: bonds (distance) C4'-P energy: -100.390 bonds (distance) P-C4' energy: -112.554 flat angles C4'-P-C4' energy: -116.738 flat angles P-C4'-P energy: -78.641 tors. eta vs tors. theta energy: -146.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1622.209625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.209625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.209625 (E_RNA) where: Base-Base interactions energy: -1081.346 where: short stacking energy: -491.771 Base-Backbone interact. energy: -4.185 local terms energy: -536.678326 where: bonds (distance) C4'-P energy: -96.328 bonds (distance) P-C4' energy: -114.562 flat angles C4'-P-C4' energy: -106.111 flat angles P-C4'-P energy: -76.497 tors. eta vs tors. theta energy: -143.181 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: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1453.651028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.651028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.651028 (E_RNA) where: Base-Base interactions energy: -936.865 where: short stacking energy: -425.634 Base-Backbone interact. energy: -1.924 local terms energy: -514.862539 where: bonds (distance) C4'-P energy: -103.752 bonds (distance) P-C4' energy: -97.565 flat angles C4'-P-C4' energy: -111.215 flat angles P-C4'-P energy: -82.494 tors. eta vs tors. theta energy: -119.836 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: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1461.565459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.565459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.565459 (E_RNA) where: Base-Base interactions energy: -962.846 where: short stacking energy: -396.172 Base-Backbone interact. energy: -2.912 local terms energy: -495.807716 where: bonds (distance) C4'-P energy: -97.920 bonds (distance) P-C4' energy: -98.646 flat angles C4'-P-C4' energy: -115.326 flat angles P-C4'-P energy: -70.540 tors. eta vs tors. theta energy: -113.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1253.834149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.834149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.834149 (E_RNA) where: Base-Base interactions energy: -810.992 where: short stacking energy: -340.402 Base-Backbone interact. energy: 0.691 local terms energy: -443.533064 where: bonds (distance) C4'-P energy: -85.305 bonds (distance) P-C4' energy: -94.826 flat angles C4'-P-C4' energy: -111.324 flat angles P-C4'-P energy: -68.951 tors. eta vs tors. theta energy: -83.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -894.671523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.671523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.671523 (E_RNA) where: Base-Base interactions energy: -533.494 where: short stacking energy: -255.146 Base-Backbone interact. energy: -0.859 local terms energy: -360.318110 where: bonds (distance) C4'-P energy: -92.435 bonds (distance) P-C4' energy: -89.958 flat angles C4'-P-C4' energy: -89.794 flat angles P-C4'-P energy: -59.244 tors. eta vs tors. theta energy: -28.886 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: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -640.876914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.876914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.876914 (E_RNA) where: Base-Base interactions energy: -337.724 where: short stacking energy: -205.782 Base-Backbone interact. energy: -2.865 local terms energy: -300.288691 where: bonds (distance) C4'-P energy: -73.055 bonds (distance) P-C4' energy: -102.681 flat angles C4'-P-C4' energy: -66.379 flat angles P-C4'-P energy: -46.743 tors. eta vs tors. theta energy: -11.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -442.617613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.617613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.617613 (E_RNA) where: Base-Base interactions energy: -157.988 where: short stacking energy: -139.339 Base-Backbone interact. energy: 1.081 local terms energy: -285.711537 where: bonds (distance) C4'-P energy: -80.189 bonds (distance) P-C4' energy: -87.625 flat angles C4'-P-C4' energy: -87.798 flat angles P-C4'-P energy: -44.724 tors. eta vs tors. theta energy: 14.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -503.130862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.130862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.130862 (E_RNA) where: Base-Base interactions energy: -220.098 where: short stacking energy: -139.903 Base-Backbone interact. energy: 1.737 local terms energy: -284.769869 where: bonds (distance) C4'-P energy: -93.723 bonds (distance) P-C4' energy: -89.149 flat angles C4'-P-C4' energy: -90.574 flat angles P-C4'-P energy: -28.498 tors. eta vs tors. theta energy: 17.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1900.129445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.129445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.129445 (E_RNA) where: Base-Base interactions energy: -1291.091 where: short stacking energy: -574.621 Base-Backbone interact. energy: 0.161 local terms energy: -609.199529 where: bonds (distance) C4'-P energy: -114.715 bonds (distance) P-C4' energy: -116.002 flat angles C4'-P-C4' energy: -132.647 flat angles P-C4'-P energy: -69.134 tors. eta vs tors. theta energy: -176.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1673.911377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.911377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.911377 (E_RNA) where: Base-Base interactions energy: -1097.336 where: short stacking energy: -485.670 Base-Backbone interact. energy: -1.792 local terms energy: -574.783511 where: bonds (distance) C4'-P energy: -108.839 bonds (distance) P-C4' energy: -111.720 flat angles C4'-P-C4' energy: -125.891 flat angles P-C4'-P energy: -81.507 tors. eta vs tors. theta energy: -146.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1625.962549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.962549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.962549 (E_RNA) where: Base-Base interactions energy: -1101.277 where: short stacking energy: -483.302 Base-Backbone interact. energy: 3.197 local terms energy: -527.882322 where: bonds (distance) C4'-P energy: -104.300 bonds (distance) P-C4' energy: -97.018 flat angles C4'-P-C4' energy: -109.101 flat angles P-C4'-P energy: -73.075 tors. eta vs tors. theta energy: -144.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1450.479571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.479571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.479571 (E_RNA) where: Base-Base interactions energy: -951.554 where: short stacking energy: -422.095 Base-Backbone interact. energy: -2.229 local terms energy: -496.696105 where: bonds (distance) C4'-P energy: -107.868 bonds (distance) P-C4' energy: -104.214 flat angles C4'-P-C4' energy: -102.718 flat angles P-C4'-P energy: -70.571 tors. eta vs tors. theta energy: -111.325 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: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1412.122306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.122306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.122306 (E_RNA) where: Base-Base interactions energy: -956.792 where: short stacking energy: -399.873 Base-Backbone interact. energy: 5.622 local terms energy: -460.952218 where: bonds (distance) C4'-P energy: -87.973 bonds (distance) P-C4' energy: -101.966 flat angles C4'-P-C4' energy: -106.992 flat angles P-C4'-P energy: -58.896 tors. eta vs tors. theta energy: -105.124 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: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1318.354464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.354464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.354464 (E_RNA) where: Base-Base interactions energy: -837.655 where: short stacking energy: -384.741 Base-Backbone interact. energy: -1.426 local terms energy: -479.273719 where: bonds (distance) C4'-P energy: -104.420 bonds (distance) P-C4' energy: -92.240 flat angles C4'-P-C4' energy: -111.957 flat angles P-C4'-P energy: -66.408 tors. eta vs tors. theta energy: -104.249 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: 149 Temperature: 1.200000 Total energy: -900.892938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.892938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.892938 (E_RNA) where: Base-Base interactions energy: -542.304 where: short stacking energy: -282.682 Base-Backbone interact. energy: -0.721 local terms energy: -357.867930 where: bonds (distance) C4'-P energy: -75.145 bonds (distance) P-C4' energy: -98.756 flat angles C4'-P-C4' energy: -96.717 flat angles P-C4'-P energy: -42.040 tors. eta vs tors. theta energy: -45.210 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: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -619.632607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.632607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.632607 (E_RNA) where: Base-Base interactions energy: -273.643 where: short stacking energy: -192.469 Base-Backbone interact. energy: 0.410 local terms energy: -346.399588 where: bonds (distance) C4'-P energy: -88.207 bonds (distance) P-C4' energy: -88.942 flat angles C4'-P-C4' energy: -97.077 flat angles P-C4'-P energy: -45.932 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: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -448.238826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.238826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.238826 (E_RNA) where: Base-Base interactions energy: -142.062 where: short stacking energy: -93.750 Base-Backbone interact. energy: 2.625 local terms energy: -308.802038 where: bonds (distance) C4'-P energy: -75.121 bonds (distance) P-C4' energy: -94.708 flat angles C4'-P-C4' energy: -82.793 flat angles P-C4'-P energy: -63.117 tors. eta vs tors. theta energy: 6.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -501.627655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.627655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.627655 (E_RNA) where: Base-Base interactions energy: -230.538 where: short stacking energy: -123.164 Base-Backbone interact. energy: -1.774 local terms energy: -269.316061 where: bonds (distance) C4'-P energy: -89.625 bonds (distance) P-C4' energy: -81.487 flat angles C4'-P-C4' energy: -75.052 flat angles P-C4'-P energy: -37.842 tors. eta vs tors. theta energy: 14.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1878.169175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.169175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.169175 (E_RNA) where: Base-Base interactions energy: -1285.184 where: short stacking energy: -558.453 Base-Backbone interact. energy: -1.823 local terms energy: -591.161929 where: bonds (distance) C4'-P energy: -106.767 bonds (distance) P-C4' energy: -120.728 flat angles C4'-P-C4' energy: -118.423 flat angles P-C4'-P energy: -83.161 tors. eta vs tors. theta energy: -162.083 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: 2, replica: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1631.537557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.537557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.537557 (E_RNA) where: Base-Base interactions energy: -1094.899 where: short stacking energy: -506.393 Base-Backbone interact. energy: -4.614 local terms energy: -532.024249 where: bonds (distance) C4'-P energy: -96.521 bonds (distance) P-C4' energy: -106.996 flat angles C4'-P-C4' energy: -122.632 flat angles P-C4'-P energy: -67.501 tors. eta vs tors. theta energy: -138.375 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: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1557.664281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.664281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.664281 (E_RNA) where: Base-Base interactions energy: -1027.753 where: short stacking energy: -433.964 Base-Backbone interact. energy: -2.990 local terms energy: -526.920932 where: bonds (distance) C4'-P energy: -109.016 bonds (distance) P-C4' energy: -110.379 flat angles C4'-P-C4' energy: -116.114 flat angles P-C4'-P energy: -72.104 tors. eta vs tors. theta energy: -119.307 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: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1458.283537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.283537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.283537 (E_RNA) where: Base-Base interactions energy: -952.444 where: short stacking energy: -436.761 Base-Backbone interact. energy: 3.284 local terms energy: -509.122866 where: bonds (distance) C4'-P energy: -107.866 bonds (distance) P-C4' energy: -105.754 flat angles C4'-P-C4' energy: -111.404 flat angles P-C4'-P energy: -62.246 tors. eta vs tors. theta energy: -121.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1472.131100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.131100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.131100 (E_RNA) where: Base-Base interactions energy: -972.970 where: short stacking energy: -392.666 Base-Backbone interact. energy: 0.043 local terms energy: -499.204658 where: bonds (distance) C4'-P energy: -96.420 bonds (distance) P-C4' energy: -105.671 flat angles C4'-P-C4' energy: -114.412 flat angles P-C4'-P energy: -75.136 tors. eta vs tors. theta energy: -107.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1254.442362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.442362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.442362 (E_RNA) where: Base-Base interactions energy: -788.702 where: short stacking energy: -347.826 Base-Backbone interact. energy: -2.909 local terms energy: -462.831642 where: bonds (distance) C4'-P energy: -99.157 bonds (distance) P-C4' energy: -119.079 flat angles C4'-P-C4' energy: -94.568 flat angles P-C4'-P energy: -55.052 tors. eta vs tors. theta energy: -94.976 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: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -926.952816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.952816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.952816 (E_RNA) where: Base-Base interactions energy: -554.692 where: short stacking energy: -258.867 Base-Backbone interact. energy: 0.891 local terms energy: -373.151389 where: bonds (distance) C4'-P energy: -81.497 bonds (distance) P-C4' energy: -96.660 flat angles C4'-P-C4' energy: -102.529 flat angles P-C4'-P energy: -40.385 tors. eta vs tors. theta energy: -52.080 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: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -641.249138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.249138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.249138 (E_RNA) where: Base-Base interactions energy: -309.566 where: short stacking energy: -175.726 Base-Backbone interact. energy: -1.300 local terms energy: -330.382843 where: bonds (distance) C4'-P energy: -84.301 bonds (distance) P-C4' energy: -86.904 flat angles C4'-P-C4' energy: -90.238 flat angles P-C4'-P energy: -59.534 tors. eta vs tors. theta energy: -9.406 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: 9, replica: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -517.766551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.766551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.766551 (E_RNA) where: Base-Base interactions energy: -253.982 where: short stacking energy: -144.135 Base-Backbone interact. energy: 2.585 local terms energy: -266.370080 where: bonds (distance) C4'-P energy: -84.976 bonds (distance) P-C4' energy: -78.933 flat angles C4'-P-C4' energy: -77.113 flat angles P-C4'-P energy: -38.250 tors. eta vs tors. theta energy: 12.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -450.210716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.210716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.210716 (E_RNA) where: Base-Base interactions energy: -175.135 where: short stacking energy: -116.847 Base-Backbone interact. energy: 4.685 local terms energy: -279.760649 where: bonds (distance) C4'-P energy: -84.370 bonds (distance) P-C4' energy: -98.905 flat angles C4'-P-C4' energy: -69.738 flat angles P-C4'-P energy: -56.895 tors. eta vs tors. theta energy: 30.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1864.983887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.983887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.983887 (E_RNA) where: Base-Base interactions energy: -1244.290 where: short stacking energy: -549.211 Base-Backbone interact. energy: 0.265 local terms energy: -620.959207 where: bonds (distance) C4'-P energy: -116.427 bonds (distance) P-C4' energy: -112.588 flat angles C4'-P-C4' energy: -130.319 flat angles P-C4'-P energy: -87.671 tors. eta vs tors. theta energy: -173.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1665.971554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.971554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.971554 (E_RNA) where: Base-Base interactions energy: -1136.220 where: short stacking energy: -501.805 Base-Backbone interact. energy: -3.968 local terms energy: -525.783852 where: bonds (distance) C4'-P energy: -108.187 bonds (distance) P-C4' energy: -92.019 flat angles C4'-P-C4' energy: -120.210 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: -136.739 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: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1620.241365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.241365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.241365 (E_RNA) where: Base-Base interactions energy: -1096.928 where: short stacking energy: -462.751 Base-Backbone interact. energy: 1.040 local terms energy: -524.353138 where: bonds (distance) C4'-P energy: -102.442 bonds (distance) P-C4' energy: -111.003 flat angles C4'-P-C4' energy: -123.107 flat angles P-C4'-P energy: -67.111 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: 4, replica: 3 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1482.218089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.218089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.218089 (E_RNA) where: Base-Base interactions energy: -968.697 where: short stacking energy: -428.610 Base-Backbone interact. energy: -0.410 local terms energy: -513.111061 where: bonds (distance) C4'-P energy: -102.656 bonds (distance) P-C4' energy: -94.315 flat angles C4'-P-C4' energy: -121.985 flat angles P-C4'-P energy: -80.289 tors. eta vs tors. theta energy: -113.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1349.455155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.455155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.455155 (E_RNA) where: Base-Base interactions energy: -869.641 where: short stacking energy: -380.577 Base-Backbone interact. energy: 2.715 local terms energy: -482.529300 where: bonds (distance) C4'-P energy: -92.990 bonds (distance) P-C4' energy: -112.069 flat angles C4'-P-C4' energy: -117.099 flat angles P-C4'-P energy: -60.705 tors. eta vs tors. theta energy: -99.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1354.220177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.220177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.220177 (E_RNA) where: Base-Base interactions energy: -877.966 where: short stacking energy: -391.401 Base-Backbone interact. energy: 0.290 local terms energy: -476.543757 where: bonds (distance) C4'-P energy: -93.735 bonds (distance) P-C4' energy: -109.203 flat angles C4'-P-C4' energy: -105.561 flat angles P-C4'-P energy: -61.500 tors. eta vs tors. theta energy: -106.545 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: 7, replica: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -853.536291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.536291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.536291 (E_RNA) where: Base-Base interactions energy: -499.632 where: short stacking energy: -246.316 Base-Backbone interact. energy: -6.791 local terms energy: -347.112936 where: bonds (distance) C4'-P energy: -98.757 bonds (distance) P-C4' energy: -76.948 flat angles C4'-P-C4' energy: -88.185 flat angles P-C4'-P energy: -62.403 tors. eta vs tors. theta energy: -20.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -595.854832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.854832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.854832 (E_RNA) where: Base-Base interactions energy: -258.362 where: short stacking energy: -151.923 Base-Backbone interact. energy: 5.305 local terms energy: -342.798233 where: bonds (distance) C4'-P energy: -90.098 bonds (distance) P-C4' energy: -95.646 flat angles C4'-P-C4' energy: -86.986 flat angles P-C4'-P energy: -69.933 tors. eta vs tors. theta energy: -0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -532.183894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.183894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.183894 (E_RNA) where: Base-Base interactions energy: -234.606 where: short stacking energy: -133.036 Base-Backbone interact. energy: -2.186 local terms energy: -295.391500 where: bonds (distance) C4'-P energy: -82.871 bonds (distance) P-C4' energy: -86.674 flat angles C4'-P-C4' energy: -93.966 flat angles P-C4'-P energy: -43.656 tors. eta vs tors. theta energy: 11.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -456.075030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.075030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.075030 (E_RNA) where: Base-Base interactions energy: -176.648 where: short stacking energy: -124.882 Base-Backbone interact. energy: 2.336 local terms energy: -281.763088 where: bonds (distance) C4'-P energy: -91.898 bonds (distance) P-C4' energy: -86.759 flat angles C4'-P-C4' energy: -66.552 flat angles P-C4'-P energy: -43.566 tors. eta vs tors. theta energy: 7.012 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: 7 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1886.282558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.282558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.282558 (E_RNA) where: Base-Base interactions energy: -1283.926 where: short stacking energy: -556.306 Base-Backbone interact. energy: 1.392 local terms energy: -603.747814 where: bonds (distance) C4'-P energy: -110.667 bonds (distance) P-C4' energy: -123.111 flat angles C4'-P-C4' energy: -131.572 flat angles P-C4'-P energy: -79.757 tors. eta vs tors. theta energy: -158.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1691.480892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.480892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.480892 (E_RNA) where: Base-Base interactions energy: -1116.059 where: short stacking energy: -502.556 Base-Backbone interact. energy: -2.879 local terms energy: -572.542369 where: bonds (distance) C4'-P energy: -114.008 bonds (distance) P-C4' energy: -119.528 flat angles C4'-P-C4' energy: -124.935 flat angles P-C4'-P energy: -68.756 tors. eta vs tors. theta energy: -145.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1634.705691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.705691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.705691 (E_RNA) where: Base-Base interactions energy: -1092.675 where: short stacking energy: -489.844 Base-Backbone interact. energy: 1.803 local terms energy: -543.833473 where: bonds (distance) C4'-P energy: -109.972 bonds (distance) P-C4' energy: -92.309 flat angles C4'-P-C4' energy: -122.324 flat angles P-C4'-P energy: -80.841 tors. eta vs tors. theta energy: -138.387 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: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1486.120578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.120578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.120578 (E_RNA) where: Base-Base interactions energy: -995.461 where: short stacking energy: -378.651 Base-Backbone interact. energy: 0.735 local terms energy: -491.394790 where: bonds (distance) C4'-P energy: -96.997 bonds (distance) P-C4' energy: -104.919 flat angles C4'-P-C4' energy: -112.353 flat angles P-C4'-P energy: -81.475 tors. eta vs tors. theta energy: -95.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1387.639847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.639847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.639847 (E_RNA) where: Base-Base interactions energy: -920.440 where: short stacking energy: -396.149 Base-Backbone interact. energy: -1.171 local terms energy: -466.028652 where: bonds (distance) C4'-P energy: -92.245 bonds (distance) P-C4' energy: -87.186 flat angles C4'-P-C4' energy: -107.032 flat angles P-C4'-P energy: -69.751 tors. eta vs tors. theta energy: -109.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1320.246053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.246053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.246053 (E_RNA) where: Base-Base interactions energy: -852.029 where: short stacking energy: -397.523 Base-Backbone interact. energy: -2.412 local terms energy: -465.804855 where: bonds (distance) C4'-P energy: -102.308 bonds (distance) P-C4' energy: -91.635 flat angles C4'-P-C4' energy: -115.622 flat angles P-C4'-P energy: -49.224 tors. eta vs tors. theta energy: -107.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -864.068614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.068614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.068614 (E_RNA) where: Base-Base interactions energy: -498.884 where: short stacking energy: -242.738 Base-Backbone interact. energy: -3.150 local terms energy: -362.034754 where: bonds (distance) C4'-P energy: -99.437 bonds (distance) P-C4' energy: -90.093 flat angles C4'-P-C4' energy: -91.634 flat angles P-C4'-P energy: -56.173 tors. eta vs tors. theta energy: -24.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -686.202637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.202637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.202637 (E_RNA) where: Base-Base interactions energy: -359.029 where: short stacking energy: -185.758 Base-Backbone interact. energy: 1.366 local terms energy: -328.540009 where: bonds (distance) C4'-P energy: -82.593 bonds (distance) P-C4' energy: -94.623 flat angles C4'-P-C4' energy: -81.381 flat angles P-C4'-P energy: -53.058 tors. eta vs tors. theta energy: -16.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -538.533652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.533652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.533652 (E_RNA) where: Base-Base interactions energy: -231.726 where: short stacking energy: -122.272 Base-Backbone interact. energy: 2.417 local terms energy: -309.223753 where: bonds (distance) C4'-P energy: -91.942 bonds (distance) P-C4' energy: -96.652 flat angles C4'-P-C4' energy: -74.853 flat angles P-C4'-P energy: -56.925 tors. eta vs tors. theta energy: 11.148 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: 152 Temperature: 1.350000 Total energy: -432.525316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.525316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.525316 (E_RNA) where: Base-Base interactions energy: -161.989 where: short stacking energy: -125.796 Base-Backbone interact. energy: -0.672 local terms energy: -269.864143 where: bonds (distance) C4'-P energy: -85.838 bonds (distance) P-C4' energy: -97.079 flat angles C4'-P-C4' energy: -65.552 flat angles P-C4'-P energy: -40.027 tors. eta vs tors. theta energy: 18.631 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: 7 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1873.053136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.053136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.053136 (E_RNA) where: Base-Base interactions energy: -1280.303 where: short stacking energy: -555.038 Base-Backbone interact. energy: -2.670 local terms energy: -590.080362 where: bonds (distance) C4'-P energy: -108.541 bonds (distance) P-C4' energy: -100.430 flat angles C4'-P-C4' energy: -128.378 flat angles P-C4'-P energy: -80.437 tors. eta vs tors. theta energy: -172.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1703.468255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.468255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.468255 (E_RNA) where: Base-Base interactions energy: -1133.782 where: short stacking energy: -513.636 Base-Backbone interact. energy: 0.529 local terms energy: -570.215177 where: bonds (distance) C4'-P energy: -100.172 bonds (distance) P-C4' energy: -123.012 flat angles C4'-P-C4' energy: -126.327 flat angles P-C4'-P energy: -68.023 tors. eta vs tors. theta energy: -152.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1607.165765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.165765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.165765 (E_RNA) where: Base-Base interactions energy: -1055.528 where: short stacking energy: -468.822 Base-Backbone interact. energy: -0.556 local terms energy: -551.081635 where: bonds (distance) C4'-P energy: -114.028 bonds (distance) P-C4' energy: -112.548 flat angles C4'-P-C4' energy: -121.265 flat angles P-C4'-P energy: -77.336 tors. eta vs tors. theta energy: -125.904 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: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1496.343665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.343665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.343665 (E_RNA) where: Base-Base interactions energy: -1035.129 where: short stacking energy: -414.673 Base-Backbone interact. energy: -0.237 local terms energy: -460.977709 where: bonds (distance) C4'-P energy: -101.100 bonds (distance) P-C4' energy: -88.851 flat angles C4'-P-C4' energy: -100.493 flat angles P-C4'-P energy: -62.106 tors. eta vs tors. theta energy: -108.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1407.168001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.168001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.168001 (E_RNA) where: Base-Base interactions energy: -894.856 where: short stacking energy: -400.176 Base-Backbone interact. energy: -3.913 local terms energy: -508.398451 where: bonds (distance) C4'-P energy: -103.576 bonds (distance) P-C4' energy: -104.383 flat angles C4'-P-C4' energy: -115.165 flat angles P-C4'-P energy: -78.198 tors. eta vs tors. theta energy: -107.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1324.341446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.341446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.341446 (E_RNA) where: Base-Base interactions energy: -857.908 where: short stacking energy: -378.807 Base-Backbone interact. energy: -1.887 local terms energy: -464.547227 where: bonds (distance) C4'-P energy: -93.310 bonds (distance) P-C4' energy: -85.703 flat angles C4'-P-C4' energy: -95.903 flat angles P-C4'-P energy: -78.308 tors. eta vs tors. theta energy: -111.322 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: 153 Temperature: 1.200000 Total energy: -944.269976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.269976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.269976 (E_RNA) where: Base-Base interactions energy: -558.315 where: short stacking energy: -249.212 Base-Backbone interact. energy: -2.711 local terms energy: -383.243431 where: bonds (distance) C4'-P energy: -91.550 bonds (distance) P-C4' energy: -93.713 flat angles C4'-P-C4' energy: -101.062 flat angles P-C4'-P energy: -53.125 tors. eta vs tors. theta energy: -43.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -627.273596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.273596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.273596 (E_RNA) where: Base-Base interactions energy: -314.465 where: short stacking energy: -177.882 Base-Backbone interact. energy: -0.833 local terms energy: -311.975007 where: bonds (distance) C4'-P energy: -77.663 bonds (distance) P-C4' energy: -78.561 flat angles C4'-P-C4' energy: -92.233 flat angles P-C4'-P energy: -60.608 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -501.445278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.445278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.445278 (E_RNA) where: Base-Base interactions energy: -202.592 where: short stacking energy: -107.422 Base-Backbone interact. energy: -0.730 local terms energy: -298.122671 where: bonds (distance) C4'-P energy: -87.329 bonds (distance) P-C4' energy: -88.727 flat angles C4'-P-C4' energy: -81.740 flat angles P-C4'-P energy: -49.597 tors. eta vs tors. theta energy: 9.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -454.534089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.534089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.534089 (E_RNA) where: Base-Base interactions energy: -131.845 where: short stacking energy: -114.598 Base-Backbone interact. energy: 0.628 local terms energy: -323.317613 where: bonds (distance) C4'-P energy: -94.301 bonds (distance) P-C4' energy: -105.289 flat angles C4'-P-C4' energy: -90.279 flat angles P-C4'-P energy: -51.303 tors. eta vs tors. theta energy: 17.855 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: 154 Temperature: 0.900000 Total energy: -1884.609227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.609227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.609227 (E_RNA) where: Base-Base interactions energy: -1274.465 where: short stacking energy: -539.296 Base-Backbone interact. energy: -1.953 local terms energy: -608.190729 where: bonds (distance) C4'-P energy: -109.550 bonds (distance) P-C4' energy: -116.165 flat angles C4'-P-C4' energy: -126.108 flat angles P-C4'-P energy: -90.628 tors. eta vs tors. theta energy: -165.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1689.479894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.479894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.479894 (E_RNA) where: Base-Base interactions energy: -1127.072 where: short stacking energy: -499.086 Base-Backbone interact. energy: 0.139 local terms energy: -562.546690 where: bonds (distance) C4'-P energy: -112.405 bonds (distance) P-C4' energy: -111.119 flat angles C4'-P-C4' energy: -122.843 flat angles P-C4'-P energy: -76.622 tors. eta vs tors. theta energy: -139.557 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: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1625.068346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.068346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.068346 (E_RNA) where: Base-Base interactions energy: -1096.433 where: short stacking energy: -478.888 Base-Backbone interact. energy: -1.988 local terms energy: -526.647440 where: bonds (distance) C4'-P energy: -95.708 bonds (distance) P-C4' energy: -112.040 flat angles C4'-P-C4' energy: -110.862 flat angles P-C4'-P energy: -71.966 tors. eta vs tors. theta energy: -136.072 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: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1500.958590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.958590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.958590 (E_RNA) where: Base-Base interactions energy: -1018.079 where: short stacking energy: -437.305 Base-Backbone interact. energy: -1.867 local terms energy: -481.012051 where: bonds (distance) C4'-P energy: -104.114 bonds (distance) P-C4' energy: -95.473 flat angles C4'-P-C4' energy: -106.660 flat angles P-C4'-P energy: -66.958 tors. eta vs tors. theta energy: -107.806 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: 5, replica: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1424.808201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.808201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.808201 (E_RNA) where: Base-Base interactions energy: -929.751 where: short stacking energy: -420.390 Base-Backbone interact. energy: -1.199 local terms energy: -493.858371 where: bonds (distance) C4'-P energy: -96.387 bonds (distance) P-C4' energy: -94.342 flat angles C4'-P-C4' energy: -114.079 flat angles P-C4'-P energy: -70.669 tors. eta vs tors. theta energy: -118.381 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: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1303.642708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.642708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.642708 (E_RNA) where: Base-Base interactions energy: -827.215 where: short stacking energy: -379.131 Base-Backbone interact. energy: -0.628 local terms energy: -475.799981 where: bonds (distance) C4'-P energy: -111.803 bonds (distance) P-C4' energy: -77.789 flat angles C4'-P-C4' energy: -100.231 flat angles P-C4'-P energy: -82.961 tors. eta vs tors. theta energy: -103.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -944.144201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.144201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.144201 (E_RNA) where: Base-Base interactions energy: -533.148 where: short stacking energy: -244.498 Base-Backbone interact. energy: -1.491 local terms energy: -409.504465 where: bonds (distance) C4'-P energy: -104.164 bonds (distance) P-C4' energy: -100.777 flat angles C4'-P-C4' energy: -94.029 flat angles P-C4'-P energy: -65.699 tors. eta vs tors. theta energy: -44.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -591.589253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.589253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.589253 (E_RNA) where: Base-Base interactions energy: -275.244 where: short stacking energy: -146.527 Base-Backbone interact. energy: -0.478 local terms energy: -315.867518 where: bonds (distance) C4'-P energy: -92.891 bonds (distance) P-C4' energy: -91.950 flat angles C4'-P-C4' energy: -94.540 flat angles P-C4'-P energy: -31.552 tors. eta vs tors. theta energy: -4.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -520.962699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.962699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.962699 (E_RNA) where: Base-Base interactions energy: -197.489 where: short stacking energy: -125.188 Base-Backbone interact. energy: -0.916 local terms energy: -322.558019 where: bonds (distance) C4'-P energy: -96.463 bonds (distance) P-C4' energy: -97.098 flat angles C4'-P-C4' energy: -95.574 flat angles P-C4'-P energy: -52.578 tors. eta vs tors. theta energy: 19.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -411.465593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.465593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.465593 (E_RNA) where: Base-Base interactions energy: -152.259 where: short stacking energy: -112.304 Base-Backbone interact. energy: 0.676 local terms energy: -259.882862 where: bonds (distance) C4'-P energy: -87.403 bonds (distance) P-C4' energy: -95.127 flat angles C4'-P-C4' energy: -62.683 flat angles P-C4'-P energy: -54.085 tors. eta vs tors. theta energy: 39.415 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: 1, replica: 7 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1849.411648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.411648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.411648 (E_RNA) where: Base-Base interactions energy: -1258.757 where: short stacking energy: -558.141 Base-Backbone interact. energy: -0.836 local terms energy: -589.818516 where: bonds (distance) C4'-P energy: -104.770 bonds (distance) P-C4' energy: -97.607 flat angles C4'-P-C4' energy: -131.814 flat angles P-C4'-P energy: -85.538 tors. eta vs tors. theta energy: -170.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1640.187460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.187460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.187460 (E_RNA) where: Base-Base interactions energy: -1108.323 where: short stacking energy: -463.009 Base-Backbone interact. energy: -2.879 local terms energy: -528.985658 where: bonds (distance) C4'-P energy: -116.333 bonds (distance) P-C4' energy: -112.685 flat angles C4'-P-C4' energy: -116.002 flat angles P-C4'-P energy: -62.359 tors. eta vs tors. theta energy: -121.606 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: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1647.421474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.421474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.421474 (E_RNA) where: Base-Base interactions energy: -1117.971 where: short stacking energy: -466.515 Base-Backbone interact. energy: 2.061 local terms energy: -531.512393 where: bonds (distance) C4'-P energy: -102.379 bonds (distance) P-C4' energy: -102.824 flat angles C4'-P-C4' energy: -114.195 flat angles P-C4'-P energy: -83.501 tors. eta vs tors. theta energy: -128.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1506.264446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.264446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.264446 (E_RNA) where: Base-Base interactions energy: -1003.223 where: short stacking energy: -432.141 Base-Backbone interact. energy: -2.322 local terms energy: -500.719318 where: bonds (distance) C4'-P energy: -92.841 bonds (distance) P-C4' energy: -103.007 flat angles C4'-P-C4' energy: -118.533 flat angles P-C4'-P energy: -71.280 tors. eta vs tors. theta energy: -115.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1436.307568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.307568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.307568 (E_RNA) where: Base-Base interactions energy: -938.342 where: short stacking energy: -428.445 Base-Backbone interact. energy: 1.006 local terms energy: -498.971485 where: bonds (distance) C4'-P energy: -99.658 bonds (distance) P-C4' energy: -97.025 flat angles C4'-P-C4' energy: -106.290 flat angles P-C4'-P energy: -82.046 tors. eta vs tors. theta energy: -113.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1298.272268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.272268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.272268 (E_RNA) where: Base-Base interactions energy: -840.224 where: short stacking energy: -373.222 Base-Backbone interact. energy: 0.320 local terms energy: -458.369015 where: bonds (distance) C4'-P energy: -88.734 bonds (distance) P-C4' energy: -100.623 flat angles C4'-P-C4' energy: -105.835 flat angles P-C4'-P energy: -59.424 tors. eta vs tors. theta energy: -103.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -969.694127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.694127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.694127 (E_RNA) where: Base-Base interactions energy: -564.595 where: short stacking energy: -259.156 Base-Backbone interact. energy: -1.256 local terms energy: -403.843906 where: bonds (distance) C4'-P energy: -108.697 bonds (distance) P-C4' energy: -95.246 flat angles C4'-P-C4' energy: -112.132 flat angles P-C4'-P energy: -50.715 tors. eta vs tors. theta energy: -37.053 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: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -593.175264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.175264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.175264 (E_RNA) where: Base-Base interactions energy: -266.082 where: short stacking energy: -183.002 Base-Backbone interact. energy: -2.524 local terms energy: -324.569014 where: bonds (distance) C4'-P energy: -93.935 bonds (distance) P-C4' energy: -91.157 flat angles C4'-P-C4' energy: -88.327 flat angles P-C4'-P energy: -53.847 tors. eta vs tors. theta energy: 2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -650.187785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.187785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.187785 (E_RNA) where: Base-Base interactions energy: -341.191 where: short stacking energy: -184.872 Base-Backbone interact. energy: -3.079 local terms energy: -305.918350 where: bonds (distance) C4'-P energy: -91.619 bonds (distance) P-C4' energy: -98.201 flat angles C4'-P-C4' energy: -87.388 flat angles P-C4'-P energy: -30.099 tors. eta vs tors. theta energy: 1.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -422.161804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.161804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.161804 (E_RNA) where: Base-Base interactions energy: -137.436 where: short stacking energy: -118.373 Base-Backbone interact. energy: -0.233 local terms energy: -284.492586 where: bonds (distance) C4'-P energy: -88.803 bonds (distance) P-C4' energy: -95.099 flat angles C4'-P-C4' energy: -79.944 flat angles P-C4'-P energy: -38.609 tors. eta vs tors. theta energy: 17.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1894.503971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.503971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.503971 (E_RNA) where: Base-Base interactions energy: -1258.750 where: short stacking energy: -558.882 Base-Backbone interact. energy: -1.716 local terms energy: -634.038219 where: bonds (distance) C4'-P energy: -116.766 bonds (distance) P-C4' energy: -120.400 flat angles C4'-P-C4' energy: -133.020 flat angles P-C4'-P energy: -86.850 tors. eta vs tors. theta energy: -177.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1656.835937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.835937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.835937 (E_RNA) where: Base-Base interactions energy: -1118.531 where: short stacking energy: -488.132 Base-Backbone interact. energy: -3.887 local terms energy: -534.418485 where: bonds (distance) C4'-P energy: -108.858 bonds (distance) P-C4' energy: -100.618 flat angles C4'-P-C4' energy: -119.988 flat angles P-C4'-P energy: -65.491 tors. eta vs tors. theta energy: -139.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1615.977092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.977092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.977092 (E_RNA) where: Base-Base interactions energy: -1111.969 where: short stacking energy: -466.540 Base-Backbone interact. energy: 0.044 local terms energy: -504.051309 where: bonds (distance) C4'-P energy: -91.488 bonds (distance) P-C4' energy: -91.191 flat angles C4'-P-C4' energy: -109.995 flat angles P-C4'-P energy: -78.516 tors. eta vs tors. theta energy: -132.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1517.265315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.265315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.265315 (E_RNA) where: Base-Base interactions energy: -1016.654 where: short stacking energy: -439.909 Base-Backbone interact. energy: -2.774 local terms energy: -497.837107 where: bonds (distance) C4'-P energy: -108.246 bonds (distance) P-C4' energy: -106.837 flat angles C4'-P-C4' energy: -94.144 flat angles P-C4'-P energy: -77.421 tors. eta vs tors. theta energy: -111.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1421.084450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.084450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.084450 (E_RNA) where: Base-Base interactions energy: -943.867 where: short stacking energy: -419.684 Base-Backbone interact. energy: 0.105 local terms energy: -477.322029 where: bonds (distance) C4'-P energy: -98.912 bonds (distance) P-C4' energy: -96.311 flat angles C4'-P-C4' energy: -113.394 flat angles P-C4'-P energy: -64.241 tors. eta vs tors. theta energy: -104.464 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: 156 Temperature: 1.150000 Total energy: -1276.459650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.459650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.459650 (E_RNA) where: Base-Base interactions energy: -802.183 where: short stacking energy: -379.927 Base-Backbone interact. energy: -1.923 local terms energy: -472.354027 where: bonds (distance) C4'-P energy: -94.819 bonds (distance) P-C4' energy: -104.446 flat angles C4'-P-C4' energy: -104.268 flat angles P-C4'-P energy: -68.741 tors. eta vs tors. theta energy: -100.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -905.246810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.246810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.246810 (E_RNA) where: Base-Base interactions energy: -545.342 where: short stacking energy: -260.366 Base-Backbone interact. energy: -0.152 local terms energy: -359.753490 where: bonds (distance) C4'-P energy: -100.118 bonds (distance) P-C4' energy: -93.454 flat angles C4'-P-C4' energy: -92.393 flat angles P-C4'-P energy: -44.992 tors. eta vs tors. theta energy: -28.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -644.938920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.938920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.938920 (E_RNA) where: Base-Base interactions energy: -313.528 where: short stacking energy: -187.437 Base-Backbone interact. energy: 0.441 local terms energy: -331.851958 where: bonds (distance) C4'-P energy: -95.515 bonds (distance) P-C4' energy: -84.227 flat angles C4'-P-C4' energy: -88.183 flat angles P-C4'-P energy: -53.729 tors. eta vs tors. theta energy: -10.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -652.928520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.928520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.928520 (E_RNA) where: Base-Base interactions energy: -338.150 where: short stacking energy: -168.020 Base-Backbone interact. energy: -3.123 local terms energy: -311.655921 where: bonds (distance) C4'-P energy: -83.515 bonds (distance) P-C4' energy: -100.222 flat angles C4'-P-C4' energy: -83.947 flat angles P-C4'-P energy: -38.403 tors. eta vs tors. theta energy: -5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -433.631613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.631613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.631613 (E_RNA) where: Base-Base interactions energy: -149.980 where: short stacking energy: -138.254 Base-Backbone interact. energy: 0.398 local terms energy: -284.050520 where: bonds (distance) C4'-P energy: -78.071 bonds (distance) P-C4' energy: -103.576 flat angles C4'-P-C4' energy: -64.577 flat angles P-C4'-P energy: -36.300 tors. eta vs tors. theta energy: -1.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1878.299458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.299458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.299458 (E_RNA) where: Base-Base interactions energy: -1277.779 where: short stacking energy: -557.598 Base-Backbone interact. energy: -4.173 local terms energy: -596.347769 where: bonds (distance) C4'-P energy: -101.678 bonds (distance) P-C4' energy: -116.971 flat angles C4'-P-C4' energy: -124.414 flat angles P-C4'-P energy: -80.516 tors. eta vs tors. theta energy: -172.769 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: 2, replica: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1648.815320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.815320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.815320 (E_RNA) where: Base-Base interactions energy: -1112.983 where: short stacking energy: -479.866 Base-Backbone interact. energy: 2.942 local terms energy: -538.774296 where: bonds (distance) C4'-P energy: -102.752 bonds (distance) P-C4' energy: -106.921 flat angles C4'-P-C4' energy: -115.528 flat angles P-C4'-P energy: -76.595 tors. eta vs tors. theta energy: -136.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1645.729992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.729992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.729992 (E_RNA) where: Base-Base interactions energy: -1099.753 where: short stacking energy: -458.908 Base-Backbone interact. energy: -1.613 local terms energy: -544.363772 where: bonds (distance) C4'-P energy: -109.173 bonds (distance) P-C4' energy: -101.514 flat angles C4'-P-C4' energy: -117.979 flat angles P-C4'-P energy: -77.976 tors. eta vs tors. theta energy: -137.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1530.927225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.927225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.927225 (E_RNA) where: Base-Base interactions energy: -1002.492 where: short stacking energy: -411.653 Base-Backbone interact. energy: -0.855 local terms energy: -527.579602 where: bonds (distance) C4'-P energy: -111.737 bonds (distance) P-C4' energy: -102.699 flat angles C4'-P-C4' energy: -113.081 flat angles P-C4'-P energy: -78.889 tors. eta vs tors. theta energy: -121.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1383.542022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.542022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.542022 (E_RNA) where: Base-Base interactions energy: -925.692 where: short stacking energy: -400.832 Base-Backbone interact. energy: -1.403 local terms energy: -456.446952 where: bonds (distance) C4'-P energy: -104.286 bonds (distance) P-C4' energy: -108.771 flat angles C4'-P-C4' energy: -106.214 flat angles P-C4'-P energy: -46.684 tors. eta vs tors. theta energy: -90.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1283.463836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.463836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.463836 (E_RNA) where: Base-Base interactions energy: -813.867 where: short stacking energy: -369.468 Base-Backbone interact. energy: -1.821 local terms energy: -467.775215 where: bonds (distance) C4'-P energy: -95.108 bonds (distance) P-C4' energy: -95.011 flat angles C4'-P-C4' energy: -105.093 flat angles P-C4'-P energy: -66.521 tors. eta vs tors. theta energy: -106.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -916.839523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.839523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.839523 (E_RNA) where: Base-Base interactions energy: -523.891 where: short stacking energy: -254.825 Base-Backbone interact. energy: -4.308 local terms energy: -388.641045 where: bonds (distance) C4'-P energy: -103.305 bonds (distance) P-C4' energy: -103.128 flat angles C4'-P-C4' energy: -94.135 flat angles P-C4'-P energy: -57.699 tors. eta vs tors. theta energy: -30.374 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: 157 Temperature: 1.250000 Total energy: -732.593523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.593523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.593523 (E_RNA) where: Base-Base interactions energy: -370.816 where: short stacking energy: -191.609 Base-Backbone interact. energy: -0.119 local terms energy: -361.658297 where: bonds (distance) C4'-P energy: -98.572 bonds (distance) P-C4' energy: -112.898 flat angles C4'-P-C4' energy: -84.975 flat angles P-C4'-P energy: -49.156 tors. eta vs tors. theta energy: -16.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -557.914036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.914036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.914036 (E_RNA) where: Base-Base interactions energy: -252.470 where: short stacking energy: -158.157 Base-Backbone interact. energy: -1.128 local terms energy: -304.316602 where: bonds (distance) C4'-P energy: -79.376 bonds (distance) P-C4' energy: -88.055 flat angles C4'-P-C4' energy: -91.310 flat angles P-C4'-P energy: -51.281 tors. eta vs tors. theta energy: 5.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -417.158687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.158687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.158687 (E_RNA) where: Base-Base interactions energy: -158.710 where: short stacking energy: -115.169 Base-Backbone interact. energy: 2.249 local terms energy: -260.696915 where: bonds (distance) C4'-P energy: -97.665 bonds (distance) P-C4' energy: -70.144 flat angles C4'-P-C4' energy: -89.628 flat angles P-C4'-P energy: -26.295 tors. eta vs tors. theta energy: 23.036 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: 1, replica: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1877.562542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.562542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.562542 (E_RNA) where: Base-Base interactions energy: -1271.296 where: short stacking energy: -565.164 Base-Backbone interact. energy: -1.028 local terms energy: -605.238552 where: bonds (distance) C4'-P energy: -97.005 bonds (distance) P-C4' energy: -113.034 flat angles C4'-P-C4' energy: -124.260 flat angles P-C4'-P energy: -94.387 tors. eta vs tors. theta energy: -176.552 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: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1681.621534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.621534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.621534 (E_RNA) where: Base-Base interactions energy: -1101.225 where: short stacking energy: -501.726 Base-Backbone interact. energy: -2.047 local terms energy: -578.349185 where: bonds (distance) C4'-P energy: -96.508 bonds (distance) P-C4' energy: -119.100 flat angles C4'-P-C4' energy: -123.738 flat angles P-C4'-P energy: -86.217 tors. eta vs tors. theta energy: -152.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1624.974481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.974481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.974481 (E_RNA) where: Base-Base interactions energy: -1108.442 where: short stacking energy: -479.147 Base-Backbone interact. energy: -1.436 local terms energy: -515.096329 where: bonds (distance) C4'-P energy: -101.484 bonds (distance) P-C4' energy: -90.710 flat angles C4'-P-C4' energy: -120.580 flat angles P-C4'-P energy: -67.876 tors. eta vs tors. theta energy: -134.446 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: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1525.528309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.528309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.528309 (E_RNA) where: Base-Base interactions energy: -1016.839 where: short stacking energy: -432.029 Base-Backbone interact. energy: -0.128 local terms energy: -508.561102 where: bonds (distance) C4'-P energy: -105.519 bonds (distance) P-C4' energy: -94.769 flat angles C4'-P-C4' energy: -115.732 flat angles P-C4'-P energy: -77.506 tors. eta vs tors. theta energy: -115.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1405.296525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.296525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.296525 (E_RNA) where: Base-Base interactions energy: -914.837 where: short stacking energy: -393.369 Base-Backbone interact. energy: -2.011 local terms energy: -488.448139 where: bonds (distance) C4'-P energy: -95.309 bonds (distance) P-C4' energy: -92.341 flat angles C4'-P-C4' energy: -108.705 flat angles P-C4'-P energy: -77.989 tors. eta vs tors. theta energy: -114.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1283.562416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.562416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.562416 (E_RNA) where: Base-Base interactions energy: -813.658 where: short stacking energy: -359.384 Base-Backbone interact. energy: -1.503 local terms energy: -468.401351 where: bonds (distance) C4'-P energy: -94.215 bonds (distance) P-C4' energy: -96.938 flat angles C4'-P-C4' energy: -116.871 flat angles P-C4'-P energy: -75.310 tors. eta vs tors. theta energy: -85.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -912.144407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.144407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.144407 (E_RNA) where: Base-Base interactions energy: -532.139 where: short stacking energy: -256.744 Base-Backbone interact. energy: -1.503 local terms energy: -378.502294 where: bonds (distance) C4'-P energy: -106.807 bonds (distance) P-C4' energy: -91.029 flat angles C4'-P-C4' energy: -88.629 flat angles P-C4'-P energy: -59.825 tors. eta vs tors. theta energy: -32.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -744.522938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.522938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.522938 (E_RNA) where: Base-Base interactions energy: -405.995 where: short stacking energy: -205.799 Base-Backbone interact. energy: -1.860 local terms energy: -336.667206 where: bonds (distance) C4'-P energy: -72.965 bonds (distance) P-C4' energy: -97.669 flat angles C4'-P-C4' energy: -91.116 flat angles P-C4'-P energy: -51.161 tors. eta vs tors. theta energy: -23.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -530.722621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.722621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.722621 (E_RNA) where: Base-Base interactions energy: -232.526 where: short stacking energy: -133.575 Base-Backbone interact. energy: 3.468 local terms energy: -301.664696 where: bonds (distance) C4'-P energy: -91.642 bonds (distance) P-C4' energy: -103.070 flat angles C4'-P-C4' energy: -69.870 flat angles P-C4'-P energy: -56.277 tors. eta vs tors. theta energy: 19.194 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: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -430.932093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.932093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.932093 (E_RNA) where: Base-Base interactions energy: -158.227 where: short stacking energy: -134.551 Base-Backbone interact. energy: 4.507 local terms energy: -277.211739 where: bonds (distance) C4'-P energy: -88.879 bonds (distance) P-C4' energy: -104.895 flat angles C4'-P-C4' energy: -55.904 flat angles P-C4'-P energy: -42.191 tors. eta vs tors. theta energy: 14.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1918.135926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.135926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.135926 (E_RNA) where: Base-Base interactions energy: -1306.363 where: short stacking energy: -579.331 Base-Backbone interact. energy: -2.600 local terms energy: -609.172579 where: bonds (distance) C4'-P energy: -115.956 bonds (distance) P-C4' energy: -108.961 flat angles C4'-P-C4' energy: -123.840 flat angles P-C4'-P energy: -81.847 tors. eta vs tors. theta energy: -178.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1699.828427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.828427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.828427 (E_RNA) where: Base-Base interactions energy: -1139.316 where: short stacking energy: -499.725 Base-Backbone interact. energy: -4.980 local terms energy: -555.532249 where: bonds (distance) C4'-P energy: -105.260 bonds (distance) P-C4' energy: -102.005 flat angles C4'-P-C4' energy: -119.746 flat angles P-C4'-P energy: -80.886 tors. eta vs tors. theta energy: -147.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1581.783656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.783656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.783656 (E_RNA) where: Base-Base interactions energy: -1049.467 where: short stacking energy: -451.106 Base-Backbone interact. energy: -3.576 local terms energy: -528.741344 where: bonds (distance) C4'-P energy: -103.612 bonds (distance) P-C4' energy: -114.670 flat angles C4'-P-C4' energy: -110.177 flat angles P-C4'-P energy: -76.843 tors. eta vs tors. theta energy: -123.440 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: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1584.337943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.337943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.337943 (E_RNA) where: Base-Base interactions energy: -1042.373 where: short stacking energy: -442.853 Base-Backbone interact. energy: 1.255 local terms energy: -543.220266 where: bonds (distance) C4'-P energy: -118.553 bonds (distance) P-C4' energy: -102.584 flat angles C4'-P-C4' energy: -121.310 flat angles P-C4'-P energy: -67.809 tors. eta vs tors. theta energy: -132.965 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: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1358.794663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.794663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.794663 (E_RNA) where: Base-Base interactions energy: -859.334 where: short stacking energy: -391.634 Base-Backbone interact. energy: -0.604 local terms energy: -498.856031 where: bonds (distance) C4'-P energy: -95.049 bonds (distance) P-C4' energy: -107.439 flat angles C4'-P-C4' energy: -122.245 flat angles P-C4'-P energy: -65.752 tors. eta vs tors. theta energy: -108.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1337.595667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.595667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.595667 (E_RNA) where: Base-Base interactions energy: -840.831 where: short stacking energy: -368.877 Base-Backbone interact. energy: 3.118 local terms energy: -499.882343 where: bonds (distance) C4'-P energy: -99.796 bonds (distance) P-C4' energy: -99.592 flat angles C4'-P-C4' energy: -102.900 flat angles P-C4'-P energy: -79.077 tors. eta vs tors. theta energy: -118.516 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: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -846.099235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.099235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.099235 (E_RNA) where: Base-Base interactions energy: -468.775 where: short stacking energy: -234.354 Base-Backbone interact. energy: 1.239 local terms energy: -378.563091 where: bonds (distance) C4'-P energy: -97.156 bonds (distance) P-C4' energy: -105.344 flat angles C4'-P-C4' energy: -91.703 flat angles P-C4'-P energy: -53.621 tors. eta vs tors. theta energy: -30.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -589.894306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.894306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.894306 (E_RNA) where: Base-Base interactions energy: -277.135 where: short stacking energy: -175.580 Base-Backbone interact. energy: -0.355 local terms energy: -312.404640 where: bonds (distance) C4'-P energy: -87.700 bonds (distance) P-C4' energy: -89.790 flat angles C4'-P-C4' energy: -92.371 flat angles P-C4'-P energy: -41.701 tors. eta vs tors. theta energy: -0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -686.952958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.952958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.952958 (E_RNA) where: Base-Base interactions energy: -354.491 where: short stacking energy: -180.110 Base-Backbone interact. energy: -1.450 local terms energy: -331.012261 where: bonds (distance) C4'-P energy: -95.159 bonds (distance) P-C4' energy: -101.752 flat angles C4'-P-C4' energy: -78.854 flat angles P-C4'-P energy: -57.732 tors. eta vs tors. theta energy: 2.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -428.037421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.037421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.037421 (E_RNA) where: Base-Base interactions energy: -154.322 where: short stacking energy: -108.463 Base-Backbone interact. energy: -3.408 local terms energy: -270.306911 where: bonds (distance) C4'-P energy: -93.375 bonds (distance) P-C4' energy: -89.188 flat angles C4'-P-C4' energy: -76.880 flat angles P-C4'-P energy: -50.161 tors. eta vs tors. theta energy: 39.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1878.381948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.381948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.381948 (E_RNA) where: Base-Base interactions energy: -1265.787 where: short stacking energy: -577.484 Base-Backbone interact. energy: -1.587 local terms energy: -611.007936 where: bonds (distance) C4'-P energy: -119.971 bonds (distance) P-C4' energy: -102.589 flat angles C4'-P-C4' energy: -123.164 flat angles P-C4'-P energy: -91.467 tors. eta vs tors. theta energy: -173.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1693.234373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.234373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.234373 (E_RNA) where: Base-Base interactions energy: -1130.311 where: short stacking energy: -489.942 Base-Backbone interact. energy: -0.453 local terms energy: -562.470488 where: bonds (distance) C4'-P energy: -108.223 bonds (distance) P-C4' energy: -117.284 flat angles C4'-P-C4' energy: -115.840 flat angles P-C4'-P energy: -78.707 tors. eta vs tors. theta energy: -142.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1619.766905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.766905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.766905 (E_RNA) where: Base-Base interactions energy: -1079.710 where: short stacking energy: -460.000 Base-Backbone interact. energy: -3.552 local terms energy: -536.504728 where: bonds (distance) C4'-P energy: -109.504 bonds (distance) P-C4' energy: -104.989 flat angles C4'-P-C4' energy: -121.699 flat angles P-C4'-P energy: -60.219 tors. eta vs tors. theta energy: -140.094 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: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1496.185030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.185030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.185030 (E_RNA) where: Base-Base interactions energy: -985.922 where: short stacking energy: -436.026 Base-Backbone interact. energy: 1.197 local terms energy: -511.459973 where: bonds (distance) C4'-P energy: -90.798 bonds (distance) P-C4' energy: -115.733 flat angles C4'-P-C4' energy: -109.931 flat angles P-C4'-P energy: -70.460 tors. eta vs tors. theta energy: -124.540 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: 5, replica: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1351.293712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.293712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.293712 (E_RNA) where: Base-Base interactions energy: -863.594 where: short stacking energy: -390.733 Base-Backbone interact. energy: 1.058 local terms energy: -488.757594 where: bonds (distance) C4'-P energy: -102.632 bonds (distance) P-C4' energy: -110.465 flat angles C4'-P-C4' energy: -112.567 flat angles P-C4'-P energy: -62.926 tors. eta vs tors. theta energy: -100.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1281.289196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.289196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.289196 (E_RNA) where: Base-Base interactions energy: -809.343 where: short stacking energy: -343.531 Base-Backbone interact. energy: -1.019 local terms energy: -470.926460 where: bonds (distance) C4'-P energy: -99.240 bonds (distance) P-C4' energy: -105.563 flat angles C4'-P-C4' energy: -115.668 flat angles P-C4'-P energy: -53.106 tors. eta vs tors. theta energy: -97.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -831.664251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.664251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.664251 (E_RNA) where: Base-Base interactions energy: -431.044 where: short stacking energy: -248.552 Base-Backbone interact. energy: -1.250 local terms energy: -399.369920 where: bonds (distance) C4'-P energy: -74.848 bonds (distance) P-C4' energy: -102.858 flat angles C4'-P-C4' energy: -97.719 flat angles P-C4'-P energy: -76.074 tors. eta vs tors. theta energy: -47.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -593.152377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.152377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.152377 (E_RNA) where: Base-Base interactions energy: -260.520 where: short stacking energy: -187.895 Base-Backbone interact. energy: -2.175 local terms energy: -330.457981 where: bonds (distance) C4'-P energy: -95.265 bonds (distance) P-C4' energy: -97.467 flat angles C4'-P-C4' energy: -82.995 flat angles P-C4'-P energy: -55.373 tors. eta vs tors. theta energy: 0.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -701.735857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.735857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.735857 (E_RNA) where: Base-Base interactions energy: -394.998 where: short stacking energy: -190.512 Base-Backbone interact. energy: 0.060 local terms energy: -306.797076 where: bonds (distance) C4'-P energy: -82.887 bonds (distance) P-C4' energy: -91.391 flat angles C4'-P-C4' energy: -89.183 flat angles P-C4'-P energy: -37.411 tors. eta vs tors. theta energy: -5.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -434.367518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.367518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.367518 (E_RNA) where: Base-Base interactions energy: -160.761 where: short stacking energy: -133.800 Base-Backbone interact. energy: 0.984 local terms energy: -274.589678 where: bonds (distance) C4'-P energy: -87.129 bonds (distance) P-C4' energy: -78.202 flat angles C4'-P-C4' energy: -81.179 flat angles P-C4'-P energy: -47.639 tors. eta vs tors. theta energy: 19.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1871.053304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.053304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.053304 (E_RNA) where: Base-Base interactions energy: -1265.618 where: short stacking energy: -557.827 Base-Backbone interact. energy: 0.160 local terms energy: -605.595506 where: bonds (distance) C4'-P energy: -107.751 bonds (distance) P-C4' energy: -124.650 flat angles C4'-P-C4' energy: -131.705 flat angles P-C4'-P energy: -79.426 tors. eta vs tors. theta energy: -162.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1674.925874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.925874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.925874 (E_RNA) where: Base-Base interactions energy: -1115.658 where: short stacking energy: -493.171 Base-Backbone interact. energy: -3.124 local terms energy: -556.143924 where: bonds (distance) C4'-P energy: -107.209 bonds (distance) P-C4' energy: -96.006 flat angles C4'-P-C4' energy: -128.222 flat angles P-C4'-P energy: -78.437 tors. eta vs tors. theta energy: -146.270 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: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1571.156730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.156730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.156730 (E_RNA) where: Base-Base interactions energy: -1066.763 where: short stacking energy: -476.132 Base-Backbone interact. energy: -0.677 local terms energy: -503.716518 where: bonds (distance) C4'-P energy: -82.788 bonds (distance) P-C4' energy: -112.688 flat angles C4'-P-C4' energy: -120.042 flat angles P-C4'-P energy: -71.590 tors. eta vs tors. theta energy: -116.607 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: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1478.681002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.681002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.681002 (E_RNA) where: Base-Base interactions energy: -959.496 where: short stacking energy: -399.538 Base-Backbone interact. energy: -1.160 local terms energy: -518.024544 where: bonds (distance) C4'-P energy: -108.366 bonds (distance) P-C4' energy: -103.129 flat angles C4'-P-C4' energy: -106.773 flat angles P-C4'-P energy: -78.680 tors. eta vs tors. theta energy: -121.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1401.384902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.384902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.384902 (E_RNA) where: Base-Base interactions energy: -929.042 where: short stacking energy: -414.979 Base-Backbone interact. energy: -2.145 local terms energy: -470.197860 where: bonds (distance) C4'-P energy: -90.273 bonds (distance) P-C4' energy: -90.619 flat angles C4'-P-C4' energy: -109.674 flat angles P-C4'-P energy: -70.621 tors. eta vs tors. theta energy: -109.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1277.215817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.215817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.215817 (E_RNA) where: Base-Base interactions energy: -791.332 where: short stacking energy: -332.053 Base-Backbone interact. energy: -2.398 local terms energy: -483.486413 where: bonds (distance) C4'-P energy: -110.460 bonds (distance) P-C4' energy: -108.343 flat angles C4'-P-C4' energy: -109.884 flat angles P-C4'-P energy: -74.275 tors. eta vs tors. theta energy: -80.523 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: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -760.674900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.674900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.674900 (E_RNA) where: Base-Base interactions energy: -428.832 where: short stacking energy: -203.356 Base-Backbone interact. energy: -0.333 local terms energy: -331.509726 where: bonds (distance) C4'-P energy: -106.866 bonds (distance) P-C4' energy: -92.663 flat angles C4'-P-C4' energy: -77.994 flat angles P-C4'-P energy: -45.761 tors. eta vs tors. theta energy: -8.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -755.074401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.074401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.074401 (E_RNA) where: Base-Base interactions energy: -406.006 where: short stacking energy: -187.934 Base-Backbone interact. energy: -0.532 local terms energy: -348.536598 where: bonds (distance) C4'-P energy: -95.346 bonds (distance) P-C4' energy: -104.558 flat angles C4'-P-C4' energy: -95.488 flat angles P-C4'-P energy: -47.251 tors. eta vs tors. theta energy: -5.893 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: 4 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -555.813294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.813294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.813294 (E_RNA) where: Base-Base interactions energy: -238.108 where: short stacking energy: -145.415 Base-Backbone interact. energy: 0.103 local terms energy: -317.807943 where: bonds (distance) C4'-P energy: -100.743 bonds (distance) P-C4' energy: -93.373 flat angles C4'-P-C4' energy: -77.820 flat angles P-C4'-P energy: -59.073 tors. eta vs tors. theta energy: 13.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -435.561267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.561267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.561267 (E_RNA) where: Base-Base interactions energy: -157.849 where: short stacking energy: -114.168 Base-Backbone interact. energy: 0.439 local terms energy: -278.151617 where: bonds (distance) C4'-P energy: -97.310 bonds (distance) P-C4' energy: -77.401 flat angles C4'-P-C4' energy: -87.789 flat angles P-C4'-P energy: -38.414 tors. eta vs tors. theta energy: 22.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1866.014601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.014601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.014601 (E_RNA) where: Base-Base interactions energy: -1269.563 where: short stacking energy: -557.038 Base-Backbone interact. energy: -2.699 local terms energy: -593.752705 where: bonds (distance) C4'-P energy: -99.691 bonds (distance) P-C4' energy: -113.460 flat angles C4'-P-C4' energy: -117.758 flat angles P-C4'-P energy: -85.762 tors. eta vs tors. theta energy: -177.082 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: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1683.241188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.241188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.241188 (E_RNA) where: Base-Base interactions energy: -1106.644 where: short stacking energy: -514.863 Base-Backbone interact. energy: -2.915 local terms energy: -573.682195 where: bonds (distance) C4'-P energy: -121.643 bonds (distance) P-C4' energy: -110.970 flat angles C4'-P-C4' energy: -120.558 flat angles P-C4'-P energy: -84.223 tors. eta vs tors. theta energy: -136.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1579.157079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.157079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.157079 (E_RNA) where: Base-Base interactions energy: -1066.458 where: short stacking energy: -457.114 Base-Backbone interact. energy: -1.690 local terms energy: -511.009129 where: bonds (distance) C4'-P energy: -93.239 bonds (distance) P-C4' energy: -104.667 flat angles C4'-P-C4' energy: -104.235 flat angles P-C4'-P energy: -85.557 tors. eta vs tors. theta energy: -123.310 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: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1469.673883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.673883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.673883 (E_RNA) where: Base-Base interactions energy: -985.150 where: short stacking energy: -410.560 Base-Backbone interact. energy: -3.303 local terms energy: -481.221007 where: bonds (distance) C4'-P energy: -110.201 bonds (distance) P-C4' energy: -96.007 flat angles C4'-P-C4' energy: -91.017 flat angles P-C4'-P energy: -75.326 tors. eta vs tors. theta energy: -108.669 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: 162 Temperature: 1.100000 Total energy: -1373.815946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.815946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.815946 (E_RNA) where: Base-Base interactions energy: -893.475 where: short stacking energy: -417.274 Base-Backbone interact. energy: -1.841 local terms energy: -478.500272 where: bonds (distance) C4'-P energy: -87.874 bonds (distance) P-C4' energy: -102.071 flat angles C4'-P-C4' energy: -109.509 flat angles P-C4'-P energy: -69.397 tors. eta vs tors. theta energy: -109.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1313.345743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.345743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.345743 (E_RNA) where: Base-Base interactions energy: -842.044 where: short stacking energy: -351.161 Base-Backbone interact. energy: 5.017 local terms energy: -476.319142 where: bonds (distance) C4'-P energy: -88.495 bonds (distance) P-C4' energy: -118.639 flat angles C4'-P-C4' energy: -104.202 flat angles P-C4'-P energy: -67.670 tors. eta vs tors. theta energy: -97.313 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: 10 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -816.469328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.469328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.469328 (E_RNA) where: Base-Base interactions energy: -472.634 where: short stacking energy: -229.321 Base-Backbone interact. energy: 1.505 local terms energy: -345.340773 where: bonds (distance) C4'-P energy: -99.114 bonds (distance) P-C4' energy: -108.184 flat angles C4'-P-C4' energy: -77.197 flat angles P-C4'-P energy: -50.357 tors. eta vs tors. theta energy: -10.489 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: 9 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -735.665836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.665836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.665836 (E_RNA) where: Base-Base interactions energy: -409.365 where: short stacking energy: -197.107 Base-Backbone interact. energy: 0.088 local terms energy: -326.388833 where: bonds (distance) C4'-P energy: -75.476 bonds (distance) P-C4' energy: -95.590 flat angles C4'-P-C4' energy: -86.704 flat angles P-C4'-P energy: -54.522 tors. eta vs tors. theta energy: -14.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -563.993327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.993327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.993327 (E_RNA) where: Base-Base interactions energy: -255.511 where: short stacking energy: -150.529 Base-Backbone interact. energy: -2.709 local terms energy: -305.774082 where: bonds (distance) C4'-P energy: -90.298 bonds (distance) P-C4' energy: -109.491 flat angles C4'-P-C4' energy: -90.381 flat angles P-C4'-P energy: -39.722 tors. eta vs tors. theta energy: 24.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -467.631685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.631685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.631685 (E_RNA) where: Base-Base interactions energy: -178.617 where: short stacking energy: -124.099 Base-Backbone interact. energy: -0.416 local terms energy: -288.599107 where: bonds (distance) C4'-P energy: -91.137 bonds (distance) P-C4' energy: -101.640 flat angles C4'-P-C4' energy: -75.871 flat angles P-C4'-P energy: -44.459 tors. eta vs tors. theta energy: 24.508 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: 7 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1899.988703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.988703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.988703 (E_RNA) where: Base-Base interactions energy: -1296.902 where: short stacking energy: -556.890 Base-Backbone interact. energy: -3.680 local terms energy: -599.406700 where: bonds (distance) C4'-P energy: -112.476 bonds (distance) P-C4' energy: -118.150 flat angles C4'-P-C4' energy: -129.026 flat angles P-C4'-P energy: -67.744 tors. eta vs tors. theta energy: -172.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1668.851965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.851965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.851965 (E_RNA) where: Base-Base interactions energy: -1108.467 where: short stacking energy: -482.002 Base-Backbone interact. energy: -0.185 local terms energy: -560.199299 where: bonds (distance) C4'-P energy: -103.790 bonds (distance) P-C4' energy: -118.434 flat angles C4'-P-C4' energy: -116.792 flat angles P-C4'-P energy: -82.074 tors. eta vs tors. theta energy: -139.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1560.424255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.424255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.424255 (E_RNA) where: Base-Base interactions energy: -1037.299 where: short stacking energy: -440.185 Base-Backbone interact. energy: -0.445 local terms energy: -522.679914 where: bonds (distance) C4'-P energy: -112.860 bonds (distance) P-C4' energy: -110.401 flat angles C4'-P-C4' energy: -109.988 flat angles P-C4'-P energy: -66.559 tors. eta vs tors. theta energy: -122.872 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: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1487.752734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.752734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.752734 (E_RNA) where: Base-Base interactions energy: -966.273 where: short stacking energy: -461.967 Base-Backbone interact. energy: -0.857 local terms energy: -520.622269 where: bonds (distance) C4'-P energy: -98.992 bonds (distance) P-C4' energy: -109.947 flat angles C4'-P-C4' energy: -117.927 flat angles P-C4'-P energy: -71.942 tors. eta vs tors. theta energy: -121.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1385.671487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.671487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.671487 (E_RNA) where: Base-Base interactions energy: -896.332 where: short stacking energy: -380.951 Base-Backbone interact. energy: -3.420 local terms energy: -485.920174 where: bonds (distance) C4'-P energy: -101.395 bonds (distance) P-C4' energy: -108.220 flat angles C4'-P-C4' energy: -108.145 flat angles P-C4'-P energy: -66.210 tors. eta vs tors. theta energy: -101.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1322.012015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.012015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.012015 (E_RNA) where: Base-Base interactions energy: -862.458 where: short stacking energy: -375.967 Base-Backbone interact. energy: -3.952 local terms energy: -455.601741 where: bonds (distance) C4'-P energy: -90.898 bonds (distance) P-C4' energy: -98.110 flat angles C4'-P-C4' energy: -100.300 flat angles P-C4'-P energy: -58.762 tors. eta vs tors. theta energy: -107.532 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: 7, replica: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -798.830663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.830663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.830663 (E_RNA) where: Base-Base interactions energy: -428.283 where: short stacking energy: -197.479 Base-Backbone interact. energy: -1.743 local terms energy: -368.804612 where: bonds (distance) C4'-P energy: -92.840 bonds (distance) P-C4' energy: -89.848 flat angles C4'-P-C4' energy: -101.910 flat angles P-C4'-P energy: -79.271 tors. eta vs tors. theta energy: -4.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -715.214863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.214863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.214863 (E_RNA) where: Base-Base interactions energy: -373.150 where: short stacking energy: -176.880 Base-Backbone interact. energy: 5.339 local terms energy: -347.404495 where: bonds (distance) C4'-P energy: -84.745 bonds (distance) P-C4' energy: -110.071 flat angles C4'-P-C4' energy: -92.962 flat angles P-C4'-P energy: -53.096 tors. eta vs tors. theta energy: -6.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -574.839673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.839673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.839673 (E_RNA) where: Base-Base interactions energy: -277.707 where: short stacking energy: -174.574 Base-Backbone interact. energy: 3.422 local terms energy: -300.555315 where: bonds (distance) C4'-P energy: -81.172 bonds (distance) P-C4' energy: -84.354 flat angles C4'-P-C4' energy: -84.735 flat angles P-C4'-P energy: -38.324 tors. eta vs tors. theta energy: -11.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -453.139194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.139194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.139194 (E_RNA) where: Base-Base interactions energy: -147.457 where: short stacking energy: -117.327 Base-Backbone interact. energy: -2.331 local terms energy: -303.350513 where: bonds (distance) C4'-P energy: -97.247 bonds (distance) P-C4' energy: -80.336 flat angles C4'-P-C4' energy: -80.860 flat angles P-C4'-P energy: -54.867 tors. eta vs tors. theta energy: 9.959 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: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1881.936817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.936817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.936817 (E_RNA) where: Base-Base interactions energy: -1281.196 where: short stacking energy: -562.235 Base-Backbone interact. energy: 0.152 local terms energy: -600.893363 where: bonds (distance) C4'-P energy: -100.690 bonds (distance) P-C4' energy: -109.986 flat angles C4'-P-C4' energy: -131.016 flat angles P-C4'-P energy: -88.413 tors. eta vs tors. theta energy: -170.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1711.107982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.107982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.107982 (E_RNA) where: Base-Base interactions energy: -1127.834 where: short stacking energy: -503.167 Base-Backbone interact. energy: 1.546 local terms energy: -584.820191 where: bonds (distance) C4'-P energy: -121.325 bonds (distance) P-C4' energy: -114.769 flat angles C4'-P-C4' energy: -113.475 flat angles P-C4'-P energy: -82.778 tors. eta vs tors. theta energy: -152.474 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: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1604.508210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.508210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.508210 (E_RNA) where: Base-Base interactions energy: -1079.359 where: short stacking energy: -473.578 Base-Backbone interact. energy: -1.464 local terms energy: -523.685844 where: bonds (distance) C4'-P energy: -103.306 bonds (distance) P-C4' energy: -97.589 flat angles C4'-P-C4' energy: -104.828 flat angles P-C4'-P energy: -77.951 tors. eta vs tors. theta energy: -140.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1427.606189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.606189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.606189 (E_RNA) where: Base-Base interactions energy: -916.506 where: short stacking energy: -417.575 Base-Backbone interact. energy: 0.542 local terms energy: -511.642780 where: bonds (distance) C4'-P energy: -117.359 bonds (distance) P-C4' energy: -107.619 flat angles C4'-P-C4' energy: -118.753 flat angles P-C4'-P energy: -57.498 tors. eta vs tors. theta energy: -110.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1391.055747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.055747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.055747 (E_RNA) where: Base-Base interactions energy: -895.328 where: short stacking energy: -389.425 Base-Backbone interact. energy: 1.658 local terms energy: -497.386129 where: bonds (distance) C4'-P energy: -105.383 bonds (distance) P-C4' energy: -102.836 flat angles C4'-P-C4' energy: -102.818 flat angles P-C4'-P energy: -68.957 tors. eta vs tors. theta energy: -117.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1312.227634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.227634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.227634 (E_RNA) where: Base-Base interactions energy: -854.179 where: short stacking energy: -357.482 Base-Backbone interact. energy: -2.052 local terms energy: -455.996086 where: bonds (distance) C4'-P energy: -86.603 bonds (distance) P-C4' energy: -105.809 flat angles C4'-P-C4' energy: -104.717 flat angles P-C4'-P energy: -60.875 tors. eta vs tors. theta energy: -97.992 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: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -830.036697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.036697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.036697 (E_RNA) where: Base-Base interactions energy: -448.116 where: short stacking energy: -213.288 Base-Backbone interact. energy: 0.051 local terms energy: -381.972061 where: bonds (distance) C4'-P energy: -103.131 bonds (distance) P-C4' energy: -102.307 flat angles C4'-P-C4' energy: -82.965 flat angles P-C4'-P energy: -72.681 tors. eta vs tors. theta energy: -20.888 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: 9 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -727.903222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.903222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.903222 (E_RNA) where: Base-Base interactions energy: -365.906 where: short stacking energy: -203.993 Base-Backbone interact. energy: 3.351 local terms energy: -365.347929 where: bonds (distance) C4'-P energy: -95.006 bonds (distance) P-C4' energy: -101.778 flat angles C4'-P-C4' energy: -97.846 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -18.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -510.295293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.295293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.295293 (E_RNA) where: Base-Base interactions energy: -235.287 where: short stacking energy: -154.474 Base-Backbone interact. energy: 5.400 local terms energy: -280.408491 where: bonds (distance) C4'-P energy: -73.369 bonds (distance) P-C4' energy: -94.476 flat angles C4'-P-C4' energy: -75.637 flat angles P-C4'-P energy: -47.441 tors. eta vs tors. theta energy: 10.515 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: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -440.705391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.705391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.705391 (E_RNA) where: Base-Base interactions energy: -148.920 where: short stacking energy: -120.364 Base-Backbone interact. energy: 2.461 local terms energy: -294.246697 where: bonds (distance) C4'-P energy: -90.537 bonds (distance) P-C4' energy: -108.478 flat angles C4'-P-C4' energy: -81.760 flat angles P-C4'-P energy: -41.441 tors. eta vs tors. theta energy: 27.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1907.981796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.981796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.981796 (E_RNA) where: Base-Base interactions energy: -1303.278 where: short stacking energy: -563.656 Base-Backbone interact. energy: -2.451 local terms energy: -602.252482 where: bonds (distance) C4'-P energy: -110.131 bonds (distance) P-C4' energy: -116.208 flat angles C4'-P-C4' energy: -121.364 flat angles P-C4'-P energy: -78.937 tors. eta vs tors. theta energy: -175.613 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: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1721.723549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.723549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.723549 (E_RNA) where: Base-Base interactions energy: -1139.280 where: short stacking energy: -513.118 Base-Backbone interact. energy: -3.720 local terms energy: -578.723744 where: bonds (distance) C4'-P energy: -111.325 bonds (distance) P-C4' energy: -111.428 flat angles C4'-P-C4' energy: -116.429 flat angles P-C4'-P energy: -79.023 tors. eta vs tors. theta energy: -160.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1581.979248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.979248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.979248 (E_RNA) where: Base-Base interactions energy: -1068.812 where: short stacking energy: -455.565 Base-Backbone interact. energy: -2.257 local terms energy: -510.910697 where: bonds (distance) C4'-P energy: -105.450 bonds (distance) P-C4' energy: -93.851 flat angles C4'-P-C4' energy: -115.671 flat angles P-C4'-P energy: -74.176 tors. eta vs tors. theta energy: -121.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1486.267113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.267113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.267113 (E_RNA) where: Base-Base interactions energy: -976.543 where: short stacking energy: -426.467 Base-Backbone interact. energy: -1.998 local terms energy: -507.726793 where: bonds (distance) C4'-P energy: -105.374 bonds (distance) P-C4' energy: -90.927 flat angles C4'-P-C4' energy: -120.782 flat angles P-C4'-P energy: -75.548 tors. eta vs tors. theta energy: -115.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1390.405083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.405083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.405083 (E_RNA) where: Base-Base interactions energy: -879.233 where: short stacking energy: -411.381 Base-Backbone interact. energy: -0.309 local terms energy: -510.863810 where: bonds (distance) C4'-P energy: -104.239 bonds (distance) P-C4' energy: -98.372 flat angles C4'-P-C4' energy: -112.716 flat angles P-C4'-P energy: -74.311 tors. eta vs tors. theta energy: -121.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1238.689815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.689815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.689815 (E_RNA) where: Base-Base interactions energy: -808.889 where: short stacking energy: -355.131 Base-Backbone interact. energy: -0.493 local terms energy: -429.307506 where: bonds (distance) C4'-P energy: -92.471 bonds (distance) P-C4' energy: -103.119 flat angles C4'-P-C4' energy: -90.436 flat angles P-C4'-P energy: -46.299 tors. eta vs tors. theta energy: -96.982 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: 7, replica: 10 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -860.193558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.193558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.193558 (E_RNA) where: Base-Base interactions energy: -478.898 where: short stacking energy: -246.682 Base-Backbone interact. energy: 1.176 local terms energy: -382.471322 where: bonds (distance) C4'-P energy: -100.397 bonds (distance) P-C4' energy: -111.102 flat angles C4'-P-C4' energy: -79.849 flat angles P-C4'-P energy: -56.575 tors. eta vs tors. theta energy: -34.548 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: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -757.699057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.699057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.699057 (E_RNA) where: Base-Base interactions energy: -431.464 where: short stacking energy: -215.201 Base-Backbone interact. energy: -0.517 local terms energy: -325.717864 where: bonds (distance) C4'-P energy: -86.288 bonds (distance) P-C4' energy: -90.282 flat angles C4'-P-C4' energy: -91.664 flat angles P-C4'-P energy: -47.787 tors. eta vs tors. theta energy: -9.697 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: 4 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -451.311696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.311696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.311696 (E_RNA) where: Base-Base interactions energy: -177.529 where: short stacking energy: -105.277 Base-Backbone interact. energy: 0.465 local terms energy: -274.248230 where: bonds (distance) C4'-P energy: -103.378 bonds (distance) P-C4' energy: -91.135 flat angles C4'-P-C4' energy: -81.786 flat angles P-C4'-P energy: -26.590 tors. eta vs tors. theta energy: 28.641 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: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -443.897767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.897767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.897767 (E_RNA) where: Base-Base interactions energy: -162.001 where: short stacking energy: -127.084 Base-Backbone interact. energy: 1.507 local terms energy: -283.404253 where: bonds (distance) C4'-P energy: -67.575 bonds (distance) P-C4' energy: -98.831 flat angles C4'-P-C4' energy: -62.145 flat angles P-C4'-P energy: -59.221 tors. eta vs tors. theta energy: 4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1932.356754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.356754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.356754 (E_RNA) where: Base-Base interactions energy: -1297.840 where: short stacking energy: -555.505 Base-Backbone interact. energy: -1.634 local terms energy: -632.883198 where: bonds (distance) C4'-P energy: -118.581 bonds (distance) P-C4' energy: -113.090 flat angles C4'-P-C4' energy: -131.085 flat angles P-C4'-P energy: -86.859 tors. eta vs tors. theta energy: -183.269 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: 166 Temperature: 0.950000 Total energy: -1654.940981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.940981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.940981 (E_RNA) where: Base-Base interactions energy: -1108.810 where: short stacking energy: -468.806 Base-Backbone interact. energy: -2.128 local terms energy: -544.003695 where: bonds (distance) C4'-P energy: -107.866 bonds (distance) P-C4' energy: -113.970 flat angles C4'-P-C4' energy: -109.994 flat angles P-C4'-P energy: -78.293 tors. eta vs tors. theta energy: -133.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1591.526029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.526029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.526029 (E_RNA) where: Base-Base interactions energy: -1043.219 where: short stacking energy: -465.631 Base-Backbone interact. energy: -2.971 local terms energy: -545.336007 where: bonds (distance) C4'-P energy: -116.047 bonds (distance) P-C4' energy: -105.998 flat angles C4'-P-C4' energy: -113.453 flat angles P-C4'-P energy: -74.339 tors. eta vs tors. theta energy: -135.499 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: 5 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1500.684749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.684749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.684749 (E_RNA) where: Base-Base interactions energy: -980.257 where: short stacking energy: -425.189 Base-Backbone interact. energy: 0.627 local terms energy: -521.054700 where: bonds (distance) C4'-P energy: -106.592 bonds (distance) P-C4' energy: -112.397 flat angles C4'-P-C4' energy: -103.551 flat angles P-C4'-P energy: -74.913 tors. eta vs tors. theta energy: -123.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1375.888304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.888304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.888304 (E_RNA) where: Base-Base interactions energy: -865.235 where: short stacking energy: -383.082 Base-Backbone interact. energy: 0.619 local terms energy: -511.272263 where: bonds (distance) C4'-P energy: -109.483 bonds (distance) P-C4' energy: -116.053 flat angles C4'-P-C4' energy: -113.000 flat angles P-C4'-P energy: -67.831 tors. eta vs tors. theta energy: -104.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1261.200517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.200517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.200517 (E_RNA) where: Base-Base interactions energy: -794.190 where: short stacking energy: -348.828 Base-Backbone interact. energy: 0.399 local terms energy: -467.409640 where: bonds (distance) C4'-P energy: -106.663 bonds (distance) P-C4' energy: -95.661 flat angles C4'-P-C4' energy: -111.622 flat angles P-C4'-P energy: -65.133 tors. eta vs tors. theta energy: -88.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -849.256458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.256458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.256458 (E_RNA) where: Base-Base interactions energy: -476.961 where: short stacking energy: -245.110 Base-Backbone interact. energy: -1.003 local terms energy: -371.293055 where: bonds (distance) C4'-P energy: -87.809 bonds (distance) P-C4' energy: -97.925 flat angles C4'-P-C4' energy: -101.985 flat angles P-C4'-P energy: -57.574 tors. eta vs tors. theta energy: -26.001 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: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -772.652880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.652880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.652880 (E_RNA) where: Base-Base interactions energy: -396.039 where: short stacking energy: -192.926 Base-Backbone interact. energy: -0.299 local terms energy: -376.315037 where: bonds (distance) C4'-P energy: -88.223 bonds (distance) P-C4' energy: -105.456 flat angles C4'-P-C4' energy: -105.843 flat angles P-C4'-P energy: -55.871 tors. eta vs tors. theta energy: -20.921 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: 9, replica: 4 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -457.469444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.469444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.469444 (E_RNA) where: Base-Base interactions energy: -168.756 where: short stacking energy: -109.973 Base-Backbone interact. energy: 1.489 local terms energy: -290.201761 where: bonds (distance) C4'-P energy: -90.944 bonds (distance) P-C4' energy: -85.353 flat angles C4'-P-C4' energy: -79.676 flat angles P-C4'-P energy: -59.177 tors. eta vs tors. theta energy: 24.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -468.204369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.204369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.204369 (E_RNA) where: Base-Base interactions energy: -190.763 where: short stacking energy: -106.459 Base-Backbone interact. energy: -0.331 local terms energy: -277.110140 where: bonds (distance) C4'-P energy: -89.905 bonds (distance) P-C4' energy: -98.227 flat angles C4'-P-C4' energy: -72.826 flat angles P-C4'-P energy: -32.779 tors. eta vs tors. theta energy: 16.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1930.285159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.285159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.285159 (E_RNA) where: Base-Base interactions energy: -1302.828 where: short stacking energy: -564.617 Base-Backbone interact. energy: -1.752 local terms energy: -625.705458 where: bonds (distance) C4'-P energy: -112.311 bonds (distance) P-C4' energy: -113.611 flat angles C4'-P-C4' energy: -136.191 flat angles P-C4'-P energy: -89.161 tors. eta vs tors. theta energy: -174.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1665.003314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.003314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.003314 (E_RNA) where: Base-Base interactions energy: -1126.939 where: short stacking energy: -500.089 Base-Backbone interact. energy: -1.920 local terms energy: -536.144995 where: bonds (distance) C4'-P energy: -103.593 bonds (distance) P-C4' energy: -93.585 flat angles C4'-P-C4' energy: -112.020 flat angles P-C4'-P energy: -78.817 tors. eta vs tors. theta energy: -148.131 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: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1555.048644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.048644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.048644 (E_RNA) where: Base-Base interactions energy: -1018.956 where: short stacking energy: -444.423 Base-Backbone interact. energy: 2.055 local terms energy: -538.147589 where: bonds (distance) C4'-P energy: -100.293 bonds (distance) P-C4' energy: -104.304 flat angles C4'-P-C4' energy: -129.157 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -127.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1487.769764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.769764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.769764 (E_RNA) where: Base-Base interactions energy: -974.465 where: short stacking energy: -443.241 Base-Backbone interact. energy: -0.366 local terms energy: -512.938588 where: bonds (distance) C4'-P energy: -105.938 bonds (distance) P-C4' energy: -100.828 flat angles C4'-P-C4' energy: -117.502 flat angles P-C4'-P energy: -66.275 tors. eta vs tors. theta energy: -122.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1387.484393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.484393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.484393 (E_RNA) where: Base-Base interactions energy: -882.081 where: short stacking energy: -392.381 Base-Backbone interact. energy: 1.219 local terms energy: -506.622209 where: bonds (distance) C4'-P energy: -97.620 bonds (distance) P-C4' energy: -106.658 flat angles C4'-P-C4' energy: -116.526 flat angles P-C4'-P energy: -69.699 tors. eta vs tors. theta energy: -116.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1233.344929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.344929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.344929 (E_RNA) where: Base-Base interactions energy: -794.545 where: short stacking energy: -361.050 Base-Backbone interact. energy: -1.413 local terms energy: -437.387394 where: bonds (distance) C4'-P energy: -88.387 bonds (distance) P-C4' energy: -101.521 flat angles C4'-P-C4' energy: -102.811 flat angles P-C4'-P energy: -59.110 tors. eta vs tors. theta energy: -85.558 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: 10 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -857.844529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.844529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.844529 (E_RNA) where: Base-Base interactions energy: -479.366 where: short stacking energy: -254.747 Base-Backbone interact. energy: -2.601 local terms energy: -375.877311 where: bonds (distance) C4'-P energy: -87.775 bonds (distance) P-C4' energy: -95.749 flat angles C4'-P-C4' energy: -107.400 flat angles P-C4'-P energy: -48.895 tors. eta vs tors. theta energy: -36.058 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: 9 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -730.964257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.964257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.964257 (E_RNA) where: Base-Base interactions energy: -396.326 where: short stacking energy: -222.869 Base-Backbone interact. energy: -2.319 local terms energy: -332.319576 where: bonds (distance) C4'-P energy: -90.555 bonds (distance) P-C4' energy: -91.250 flat angles C4'-P-C4' energy: -78.138 flat angles P-C4'-P energy: -60.574 tors. eta vs tors. theta energy: -11.803 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: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -458.476031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.476031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.476031 (E_RNA) where: Base-Base interactions energy: -175.824 where: short stacking energy: -123.186 Base-Backbone interact. energy: -1.772 local terms energy: -280.879567 where: bonds (distance) C4'-P energy: -86.104 bonds (distance) P-C4' energy: -83.789 flat angles C4'-P-C4' energy: -82.513 flat angles P-C4'-P energy: -37.281 tors. eta vs tors. theta energy: 8.808 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: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -433.656508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.656508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.656508 (E_RNA) where: Base-Base interactions energy: -162.328 where: short stacking energy: -129.169 Base-Backbone interact. energy: 1.873 local terms energy: -273.201793 where: bonds (distance) C4'-P energy: -84.015 bonds (distance) P-C4' energy: -100.900 flat angles C4'-P-C4' energy: -79.005 flat angles P-C4'-P energy: -43.373 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: 1, replica: 7 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1935.773867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.773867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.773867 (E_RNA) where: Base-Base interactions energy: -1325.196 where: short stacking energy: -576.757 Base-Backbone interact. energy: -2.803 local terms energy: -607.775476 where: bonds (distance) C4'-P energy: -101.552 bonds (distance) P-C4' energy: -112.192 flat angles C4'-P-C4' energy: -131.345 flat angles P-C4'-P energy: -80.731 tors. eta vs tors. theta energy: -181.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1680.647693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.647693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.647693 (E_RNA) where: Base-Base interactions energy: -1150.778 where: short stacking energy: -516.335 Base-Backbone interact. energy: -1.111 local terms energy: -528.758220 where: bonds (distance) C4'-P energy: -96.570 bonds (distance) P-C4' energy: -93.667 flat angles C4'-P-C4' energy: -123.777 flat angles P-C4'-P energy: -58.111 tors. eta vs tors. theta energy: -156.634 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: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1586.126324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.126324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.126324 (E_RNA) where: Base-Base interactions energy: -1057.481 where: short stacking energy: -462.982 Base-Backbone interact. energy: -2.698 local terms energy: -525.947477 where: bonds (distance) C4'-P energy: -107.790 bonds (distance) P-C4' energy: -104.276 flat angles C4'-P-C4' energy: -113.167 flat angles P-C4'-P energy: -74.484 tors. eta vs tors. theta energy: -126.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1494.051173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.051173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.051173 (E_RNA) where: Base-Base interactions energy: -1001.301 where: short stacking energy: -434.733 Base-Backbone interact. energy: -1.594 local terms energy: -491.156634 where: bonds (distance) C4'-P energy: -104.748 bonds (distance) P-C4' energy: -96.162 flat angles C4'-P-C4' energy: -105.112 flat angles P-C4'-P energy: -65.120 tors. eta vs tors. theta energy: -120.014 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: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1388.303409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.303409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.303409 (E_RNA) where: Base-Base interactions energy: -900.910 where: short stacking energy: -392.441 Base-Backbone interact. energy: -1.453 local terms energy: -485.940146 where: bonds (distance) C4'-P energy: -99.710 bonds (distance) P-C4' energy: -97.730 flat angles C4'-P-C4' energy: -100.817 flat angles P-C4'-P energy: -79.757 tors. eta vs tors. theta energy: -107.926 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: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1182.280710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.280710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.280710 (E_RNA) where: Base-Base interactions energy: -731.042 where: short stacking energy: -311.517 Base-Backbone interact. energy: -2.967 local terms energy: -448.271534 where: bonds (distance) C4'-P energy: -92.021 bonds (distance) P-C4' energy: -106.526 flat angles C4'-P-C4' energy: -113.815 flat angles P-C4'-P energy: -66.660 tors. eta vs tors. theta energy: -69.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -811.619312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.619312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.619312 (E_RNA) where: Base-Base interactions energy: -486.997 where: short stacking energy: -246.432 Base-Backbone interact. energy: 1.838 local terms energy: -326.460468 where: bonds (distance) C4'-P energy: -85.007 bonds (distance) P-C4' energy: -94.979 flat angles C4'-P-C4' energy: -85.156 flat angles P-C4'-P energy: -44.074 tors. eta vs tors. theta energy: -17.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -740.121035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.121035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.121035 (E_RNA) where: Base-Base interactions energy: -391.753 where: short stacking energy: -221.065 Base-Backbone interact. energy: 0.674 local terms energy: -349.041922 where: bonds (distance) C4'-P energy: -95.896 bonds (distance) P-C4' energy: -95.226 flat angles C4'-P-C4' energy: -83.323 flat angles P-C4'-P energy: -49.938 tors. eta vs tors. theta energy: -24.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -486.809418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.809418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.809418 (E_RNA) where: Base-Base interactions energy: -161.023 where: short stacking energy: -133.959 Base-Backbone interact. energy: 2.339 local terms energy: -328.125481 where: bonds (distance) C4'-P energy: -91.994 bonds (distance) P-C4' energy: -85.863 flat angles C4'-P-C4' energy: -88.462 flat angles P-C4'-P energy: -62.411 tors. eta vs tors. theta energy: 0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -436.053788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.053788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.053788 (E_RNA) where: Base-Base interactions energy: -151.463 where: short stacking energy: -114.679 Base-Backbone interact. energy: 1.013 local terms energy: -285.603618 where: bonds (distance) C4'-P energy: -110.282 bonds (distance) P-C4' energy: -87.260 flat angles C4'-P-C4' energy: -72.996 flat angles P-C4'-P energy: -34.250 tors. eta vs tors. theta energy: 19.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1910.881566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.881566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.881566 (E_RNA) where: Base-Base interactions energy: -1293.294 where: short stacking energy: -555.896 Base-Backbone interact. energy: -2.199 local terms energy: -615.388411 where: bonds (distance) C4'-P energy: -107.125 bonds (distance) P-C4' energy: -112.165 flat angles C4'-P-C4' energy: -124.264 flat angles P-C4'-P energy: -93.812 tors. eta vs tors. theta energy: -178.022 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: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1685.206147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.206147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.206147 (E_RNA) where: Base-Base interactions energy: -1158.175 where: short stacking energy: -507.230 Base-Backbone interact. energy: 1.233 local terms energy: -528.264273 where: bonds (distance) C4'-P energy: -91.426 bonds (distance) P-C4' energy: -106.650 flat angles C4'-P-C4' energy: -114.202 flat angles P-C4'-P energy: -74.101 tors. eta vs tors. theta energy: -141.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1557.787927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.787927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.787927 (E_RNA) where: Base-Base interactions energy: -1045.892 where: short stacking energy: -464.818 Base-Backbone interact. energy: -1.478 local terms energy: -510.417707 where: bonds (distance) C4'-P energy: -88.177 bonds (distance) P-C4' energy: -112.620 flat angles C4'-P-C4' energy: -118.151 flat angles P-C4'-P energy: -68.808 tors. eta vs tors. theta energy: -122.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1515.471763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.471763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.471763 (E_RNA) where: Base-Base interactions energy: -982.291 where: short stacking energy: -443.437 Base-Backbone interact. energy: -1.023 local terms energy: -532.158390 where: bonds (distance) C4'-P energy: -101.091 bonds (distance) P-C4' energy: -114.739 flat angles C4'-P-C4' energy: -114.087 flat angles P-C4'-P energy: -77.531 tors. eta vs tors. theta energy: -124.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1386.607420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.607420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.607420 (E_RNA) where: Base-Base interactions energy: -927.171 where: short stacking energy: -380.453 Base-Backbone interact. energy: -1.306 local terms energy: -458.130707 where: bonds (distance) C4'-P energy: -93.256 bonds (distance) P-C4' energy: -100.636 flat angles C4'-P-C4' energy: -93.448 flat angles P-C4'-P energy: -74.826 tors. eta vs tors. theta energy: -95.964 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: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1196.980112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.980112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.980112 (E_RNA) where: Base-Base interactions energy: -754.818 where: short stacking energy: -348.650 Base-Backbone interact. energy: 1.303 local terms energy: -443.465270 where: bonds (distance) C4'-P energy: -88.774 bonds (distance) P-C4' energy: -97.788 flat angles C4'-P-C4' energy: -114.317 flat angles P-C4'-P energy: -61.482 tors. eta vs tors. theta energy: -81.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -823.964890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.964890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.964890 (E_RNA) where: Base-Base interactions energy: -485.736 where: short stacking energy: -266.922 Base-Backbone interact. energy: 0.552 local terms energy: -338.781524 where: bonds (distance) C4'-P energy: -82.018 bonds (distance) P-C4' energy: -84.196 flat angles C4'-P-C4' energy: -68.426 flat angles P-C4'-P energy: -56.908 tors. eta vs tors. theta energy: -47.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -731.819712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.819712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.819712 (E_RNA) where: Base-Base interactions energy: -383.081 where: short stacking energy: -201.104 Base-Backbone interact. energy: -2.080 local terms energy: -346.658628 where: bonds (distance) C4'-P energy: -90.231 bonds (distance) P-C4' energy: -97.795 flat angles C4'-P-C4' energy: -83.290 flat angles P-C4'-P energy: -49.360 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: 9, replica: 8 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -528.549079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.549079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.549079 (E_RNA) where: Base-Base interactions energy: -234.097 where: short stacking energy: -155.084 Base-Backbone interact. energy: -0.575 local terms energy: -293.876804 where: bonds (distance) C4'-P energy: -78.808 bonds (distance) P-C4' energy: -91.520 flat angles C4'-P-C4' energy: -73.227 flat angles P-C4'-P energy: -46.920 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -412.765868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.765868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.765868 (E_RNA) where: Base-Base interactions energy: -141.705 where: short stacking energy: -131.691 Base-Backbone interact. energy: 1.838 local terms energy: -272.898908 where: bonds (distance) C4'-P energy: -78.078 bonds (distance) P-C4' energy: -94.293 flat angles C4'-P-C4' energy: -83.577 flat angles P-C4'-P energy: -34.021 tors. eta vs tors. theta energy: 17.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1915.645621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.645621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.645621 (E_RNA) where: Base-Base interactions energy: -1330.789 where: short stacking energy: -543.451 Base-Backbone interact. energy: -1.246 local terms energy: -583.609934 where: bonds (distance) C4'-P energy: -115.278 bonds (distance) P-C4' energy: -107.020 flat angles C4'-P-C4' energy: -115.352 flat angles P-C4'-P energy: -78.521 tors. eta vs tors. theta energy: -167.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1726.449575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.449575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.449575 (E_RNA) where: Base-Base interactions energy: -1155.132 where: short stacking energy: -492.974 Base-Backbone interact. energy: -1.039 local terms energy: -570.278754 where: bonds (distance) C4'-P energy: -106.417 bonds (distance) P-C4' energy: -118.906 flat angles C4'-P-C4' energy: -115.039 flat angles P-C4'-P energy: -77.891 tors. eta vs tors. theta energy: -152.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1541.958691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.958691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.958691 (E_RNA) where: Base-Base interactions energy: -1020.660 where: short stacking energy: -441.487 Base-Backbone interact. energy: 1.427 local terms energy: -522.726121 where: bonds (distance) C4'-P energy: -110.513 bonds (distance) P-C4' energy: -111.410 flat angles C4'-P-C4' energy: -107.723 flat angles P-C4'-P energy: -76.675 tors. eta vs tors. theta energy: -116.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1500.051880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.051880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.051880 (E_RNA) where: Base-Base interactions energy: -977.623 where: short stacking energy: -466.910 Base-Backbone interact. energy: -3.288 local terms energy: -519.140613 where: bonds (distance) C4'-P energy: -103.604 bonds (distance) P-C4' energy: -94.183 flat angles C4'-P-C4' energy: -120.055 flat angles P-C4'-P energy: -74.861 tors. eta vs tors. theta energy: -126.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1418.347688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.347688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.347688 (E_RNA) where: Base-Base interactions energy: -929.916 where: short stacking energy: -399.839 Base-Backbone interact. energy: -2.159 local terms energy: -486.272010 where: bonds (distance) C4'-P energy: -95.307 bonds (distance) P-C4' energy: -93.905 flat angles C4'-P-C4' energy: -114.795 flat angles P-C4'-P energy: -77.902 tors. eta vs tors. theta energy: -104.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1170.804335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.804335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.804335 (E_RNA) where: Base-Base interactions energy: -726.326 where: short stacking energy: -304.694 Base-Backbone interact. energy: 4.808 local terms energy: -449.286266 where: bonds (distance) C4'-P energy: -99.333 bonds (distance) P-C4' energy: -115.577 flat angles C4'-P-C4' energy: -96.406 flat angles P-C4'-P energy: -56.167 tors. eta vs tors. theta energy: -81.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -877.115469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.115469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.115469 (E_RNA) where: Base-Base interactions energy: -519.558 where: short stacking energy: -277.287 Base-Backbone interact. energy: -1.494 local terms energy: -356.064131 where: bonds (distance) C4'-P energy: -94.114 bonds (distance) P-C4' energy: -78.395 flat angles C4'-P-C4' energy: -80.908 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -49.184 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: 9 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -730.395798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.395798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.395798 (E_RNA) where: Base-Base interactions energy: -384.715 where: short stacking energy: -222.393 Base-Backbone interact. energy: -1.501 local terms energy: -344.180028 where: bonds (distance) C4'-P energy: -96.946 bonds (distance) P-C4' energy: -88.469 flat angles C4'-P-C4' energy: -90.366 flat angles P-C4'-P energy: -35.634 tors. eta vs tors. theta energy: -32.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -550.993623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.993623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.993623 (E_RNA) where: Base-Base interactions energy: -258.780 where: short stacking energy: -150.209 Base-Backbone interact. energy: 0.361 local terms energy: -292.575291 where: bonds (distance) C4'-P energy: -73.496 bonds (distance) P-C4' energy: -85.676 flat angles C4'-P-C4' energy: -81.984 flat angles P-C4'-P energy: -51.726 tors. eta vs tors. theta energy: 0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -441.156093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.156093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.156093 (E_RNA) where: Base-Base interactions energy: -149.968 where: short stacking energy: -101.599 Base-Backbone interact. energy: 2.131 local terms energy: -293.318515 where: bonds (distance) C4'-P energy: -106.470 bonds (distance) P-C4' energy: -108.697 flat angles C4'-P-C4' energy: -63.919 flat angles P-C4'-P energy: -36.321 tors. eta vs tors. theta energy: 22.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1912.974056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.974056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.974056 (E_RNA) where: Base-Base interactions energy: -1328.807 where: short stacking energy: -555.783 Base-Backbone interact. energy: -1.362 local terms energy: -582.805560 where: bonds (distance) C4'-P energy: -91.135 bonds (distance) P-C4' energy: -118.993 flat angles C4'-P-C4' energy: -127.785 flat angles P-C4'-P energy: -80.486 tors. eta vs tors. theta energy: -164.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1691.753058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.753058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.753058 (E_RNA) where: Base-Base interactions energy: -1116.665 where: short stacking energy: -505.197 Base-Backbone interact. energy: 0.043 local terms energy: -575.130576 where: bonds (distance) C4'-P energy: -107.571 bonds (distance) P-C4' energy: -111.086 flat angles C4'-P-C4' energy: -110.454 flat angles P-C4'-P energy: -89.434 tors. eta vs tors. theta energy: -156.586 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: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1587.804663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.804663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.804663 (E_RNA) where: Base-Base interactions energy: -1048.918 where: short stacking energy: -469.296 Base-Backbone interact. energy: -0.204 local terms energy: -538.683537 where: bonds (distance) C4'-P energy: -112.061 bonds (distance) P-C4' energy: -120.411 flat angles C4'-P-C4' energy: -118.254 flat angles P-C4'-P energy: -61.525 tors. eta vs tors. theta energy: -126.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1493.077988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.077988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.077988 (E_RNA) where: Base-Base interactions energy: -964.701 where: short stacking energy: -424.903 Base-Backbone interact. energy: -1.032 local terms energy: -527.345296 where: bonds (distance) C4'-P energy: -108.564 bonds (distance) P-C4' energy: -101.902 flat angles C4'-P-C4' energy: -124.008 flat angles P-C4'-P energy: -71.567 tors. eta vs tors. theta energy: -121.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1428.530086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.530086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.530086 (E_RNA) where: Base-Base interactions energy: -936.574 where: short stacking energy: -411.277 Base-Backbone interact. energy: -2.709 local terms energy: -489.246929 where: bonds (distance) C4'-P energy: -106.432 bonds (distance) P-C4' energy: -103.409 flat angles C4'-P-C4' energy: -96.352 flat angles P-C4'-P energy: -70.139 tors. eta vs tors. theta energy: -112.915 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: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1258.519559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.519559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.519559 (E_RNA) where: Base-Base interactions energy: -789.494 where: short stacking energy: -358.793 Base-Backbone interact. energy: 2.014 local terms energy: -471.040032 where: bonds (distance) C4'-P energy: -103.190 bonds (distance) P-C4' energy: -106.926 flat angles C4'-P-C4' energy: -102.211 flat angles P-C4'-P energy: -75.215 tors. eta vs tors. theta energy: -83.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -875.300721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.300721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.300721 (E_RNA) where: Base-Base interactions energy: -500.007 where: short stacking energy: -255.830 Base-Backbone interact. energy: -2.479 local terms energy: -372.814973 where: bonds (distance) C4'-P energy: -71.197 bonds (distance) P-C4' energy: -96.670 flat angles C4'-P-C4' energy: -93.168 flat angles P-C4'-P energy: -50.962 tors. eta vs tors. theta energy: -60.818 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: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -559.010155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.010155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.010155 (E_RNA) where: Base-Base interactions energy: -228.237 where: short stacking energy: -152.703 Base-Backbone interact. energy: -1.690 local terms energy: -329.082827 where: bonds (distance) C4'-P energy: -85.372 bonds (distance) P-C4' energy: -105.484 flat angles C4'-P-C4' energy: -81.194 flat angles P-C4'-P energy: -57.192 tors. eta vs tors. theta energy: 0.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -649.143149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.143149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.143149 (E_RNA) where: Base-Base interactions energy: -329.550 where: short stacking energy: -168.327 Base-Backbone interact. energy: 0.067 local terms energy: -319.659520 where: bonds (distance) C4'-P energy: -84.515 bonds (distance) P-C4' energy: -97.008 flat angles C4'-P-C4' energy: -89.177 flat angles P-C4'-P energy: -49.606 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: 10, replica: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -434.000343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.000343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.000343 (E_RNA) where: Base-Base interactions energy: -149.586 where: short stacking energy: -115.174 Base-Backbone interact. energy: 1.412 local terms energy: -285.825802 where: bonds (distance) C4'-P energy: -94.052 bonds (distance) P-C4' energy: -73.676 flat angles C4'-P-C4' energy: -66.267 flat angles P-C4'-P energy: -57.863 tors. eta vs tors. theta energy: 6.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1882.317685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.317685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.317685 (E_RNA) where: Base-Base interactions energy: -1277.298 where: short stacking energy: -541.737 Base-Backbone interact. energy: -2.243 local terms energy: -602.776696 where: bonds (distance) C4'-P energy: -110.481 bonds (distance) P-C4' energy: -120.238 flat angles C4'-P-C4' energy: -129.033 flat angles P-C4'-P energy: -83.183 tors. eta vs tors. theta energy: -159.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1680.196928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.196928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.196928 (E_RNA) where: Base-Base interactions energy: -1103.733 where: short stacking energy: -499.545 Base-Backbone interact. energy: -4.261 local terms energy: -572.202568 where: bonds (distance) C4'-P energy: -104.521 bonds (distance) P-C4' energy: -122.106 flat angles C4'-P-C4' energy: -124.217 flat angles P-C4'-P energy: -76.666 tors. eta vs tors. theta energy: -144.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1589.259105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.259105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.259105 (E_RNA) where: Base-Base interactions energy: -1034.980 where: short stacking energy: -424.103 Base-Backbone interact. energy: 1.828 local terms energy: -556.107470 where: bonds (distance) C4'-P energy: -113.702 bonds (distance) P-C4' energy: -110.877 flat angles C4'-P-C4' energy: -123.899 flat angles P-C4'-P energy: -84.419 tors. eta vs tors. theta energy: -123.210 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: 5 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1499.780471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.780471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.780471 (E_RNA) where: Base-Base interactions energy: -977.229 where: short stacking energy: -437.683 Base-Backbone interact. energy: -1.380 local terms energy: -521.171546 where: bonds (distance) C4'-P energy: -101.051 bonds (distance) P-C4' energy: -118.206 flat angles C4'-P-C4' energy: -106.220 flat angles P-C4'-P energy: -78.365 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: 5, replica: 6 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1409.274695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.274695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.274695 (E_RNA) where: Base-Base interactions energy: -910.367 where: short stacking energy: -411.537 Base-Backbone interact. energy: -0.136 local terms energy: -498.772260 where: bonds (distance) C4'-P energy: -110.275 bonds (distance) P-C4' energy: -105.579 flat angles C4'-P-C4' energy: -108.098 flat angles P-C4'-P energy: -74.074 tors. eta vs tors. theta energy: -100.746 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: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1235.823769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.823769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.823769 (E_RNA) where: Base-Base interactions energy: -792.895 where: short stacking energy: -343.115 Base-Backbone interact. energy: -0.990 local terms energy: -441.938599 where: bonds (distance) C4'-P energy: -82.074 bonds (distance) P-C4' energy: -112.278 flat angles C4'-P-C4' energy: -99.885 flat angles P-C4'-P energy: -64.557 tors. eta vs tors. theta energy: -83.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -897.058674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.058674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.058674 (E_RNA) where: Base-Base interactions energy: -513.158 where: short stacking energy: -254.345 Base-Backbone interact. energy: -0.856 local terms energy: -383.044909 where: bonds (distance) C4'-P energy: -103.578 bonds (distance) P-C4' energy: -95.476 flat angles C4'-P-C4' energy: -89.615 flat angles P-C4'-P energy: -46.186 tors. eta vs tors. theta energy: -48.189 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: 172 Temperature: 1.250000 Total energy: -576.118561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.118561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.118561 (E_RNA) where: Base-Base interactions energy: -236.544 where: short stacking energy: -167.050 Base-Backbone interact. energy: 4.812 local terms energy: -344.386749 where: bonds (distance) C4'-P energy: -89.365 bonds (distance) P-C4' energy: -106.696 flat angles C4'-P-C4' energy: -86.438 flat angles P-C4'-P energy: -62.170 tors. eta vs tors. theta energy: 0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -655.909550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.909550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.909550 (E_RNA) where: Base-Base interactions energy: -329.650 where: short stacking energy: -204.843 Base-Backbone interact. energy: -0.829 local terms energy: -325.430433 where: bonds (distance) C4'-P energy: -90.342 bonds (distance) P-C4' energy: -103.321 flat angles C4'-P-C4' energy: -76.844 flat angles P-C4'-P energy: -45.597 tors. eta vs tors. theta energy: -9.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -415.673431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.673431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.673431 (E_RNA) where: Base-Base interactions energy: -144.799 where: short stacking energy: -105.906 Base-Backbone interact. energy: -1.732 local terms energy: -269.142749 where: bonds (distance) C4'-P energy: -98.641 bonds (distance) P-C4' energy: -78.855 flat angles C4'-P-C4' energy: -64.556 flat angles P-C4'-P energy: -53.067 tors. eta vs tors. theta energy: 25.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1887.833932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.833932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.833932 (E_RNA) where: Base-Base interactions energy: -1282.891 where: short stacking energy: -559.964 Base-Backbone interact. energy: -2.426 local terms energy: -602.517697 where: bonds (distance) C4'-P energy: -97.623 bonds (distance) P-C4' energy: -125.839 flat angles C4'-P-C4' energy: -122.107 flat angles P-C4'-P energy: -83.944 tors. eta vs tors. theta energy: -173.005 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: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1730.280592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.280592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.280592 (E_RNA) where: Base-Base interactions energy: -1171.015 where: short stacking energy: -522.857 Base-Backbone interact. energy: -1.460 local terms energy: -557.805898 where: bonds (distance) C4'-P energy: -101.658 bonds (distance) P-C4' energy: -111.915 flat angles C4'-P-C4' energy: -121.008 flat angles P-C4'-P energy: -77.406 tors. eta vs tors. theta energy: -145.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1553.679729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.679729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.679729 (E_RNA) where: Base-Base interactions energy: -1063.065 where: short stacking energy: -455.648 Base-Backbone interact. energy: -2.083 local terms energy: -488.531463 where: bonds (distance) C4'-P energy: -109.216 bonds (distance) P-C4' energy: -100.386 flat angles C4'-P-C4' energy: -106.267 flat angles P-C4'-P energy: -49.895 tors. eta vs tors. theta energy: -122.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1493.618634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.618634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.618634 (E_RNA) where: Base-Base interactions energy: -988.496 where: short stacking energy: -445.312 Base-Backbone interact. energy: -1.811 local terms energy: -503.311811 where: bonds (distance) C4'-P energy: -85.259 bonds (distance) P-C4' energy: -104.251 flat angles C4'-P-C4' energy: -124.952 flat angles P-C4'-P energy: -67.635 tors. eta vs tors. theta energy: -121.215 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: 5, replica: 6 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1364.510636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.510636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.510636 (E_RNA) where: Base-Base interactions energy: -885.877 where: short stacking energy: -399.728 Base-Backbone interact. energy: 3.692 local terms energy: -482.325382 where: bonds (distance) C4'-P energy: -96.478 bonds (distance) P-C4' energy: -103.075 flat angles C4'-P-C4' energy: -101.229 flat angles P-C4'-P energy: -81.417 tors. eta vs tors. theta energy: -100.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1249.141561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.141561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.141561 (E_RNA) where: Base-Base interactions energy: -815.653 where: short stacking energy: -332.703 Base-Backbone interact. energy: -2.001 local terms energy: -431.487083 where: bonds (distance) C4'-P energy: -88.189 bonds (distance) P-C4' energy: -93.357 flat angles C4'-P-C4' energy: -106.493 flat angles P-C4'-P energy: -70.450 tors. eta vs tors. theta energy: -72.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -923.166024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.166024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.166024 (E_RNA) where: Base-Base interactions energy: -524.859 where: short stacking energy: -293.520 Base-Backbone interact. energy: -2.317 local terms energy: -395.989462 where: bonds (distance) C4'-P energy: -92.754 bonds (distance) P-C4' energy: -91.634 flat angles C4'-P-C4' energy: -90.080 flat angles P-C4'-P energy: -69.030 tors. eta vs tors. theta energy: -52.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -725.221640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.221640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.221640 (E_RNA) where: Base-Base interactions energy: -383.003 where: short stacking energy: -202.992 Base-Backbone interact. energy: -0.142 local terms energy: -342.077287 where: bonds (distance) C4'-P energy: -96.318 bonds (distance) P-C4' energy: -89.195 flat angles C4'-P-C4' energy: -73.358 flat angles P-C4'-P energy: -62.296 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: 9, replica: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -523.537619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.537619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.537619 (E_RNA) where: Base-Base interactions energy: -218.985 where: short stacking energy: -135.865 Base-Backbone interact. energy: 4.860 local terms energy: -309.412139 where: bonds (distance) C4'-P energy: -100.966 bonds (distance) P-C4' energy: -101.133 flat angles C4'-P-C4' energy: -74.233 flat angles P-C4'-P energy: -57.176 tors. eta vs tors. theta energy: 24.096 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: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -414.837214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.837214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.837214 (E_RNA) where: Base-Base interactions energy: -158.534 where: short stacking energy: -112.481 Base-Backbone interact. energy: -2.814 local terms energy: -253.489656 where: bonds (distance) C4'-P energy: -83.810 bonds (distance) P-C4' energy: -78.258 flat angles C4'-P-C4' energy: -80.242 flat angles P-C4'-P energy: -24.654 tors. eta vs tors. theta energy: 13.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1881.161970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.161970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.161970 (E_RNA) where: Base-Base interactions energy: -1316.130 where: short stacking energy: -575.009 Base-Backbone interact. energy: 0.000 local terms energy: -565.032336 where: bonds (distance) C4'-P energy: -108.287 bonds (distance) P-C4' energy: -111.192 flat angles C4'-P-C4' energy: -117.664 flat angles P-C4'-P energy: -63.255 tors. eta vs tors. theta energy: -164.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1717.004125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.004125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.004125 (E_RNA) where: Base-Base interactions energy: -1165.287 where: short stacking energy: -498.381 Base-Backbone interact. energy: -0.972 local terms energy: -550.745906 where: bonds (distance) C4'-P energy: -106.581 bonds (distance) P-C4' energy: -123.526 flat angles C4'-P-C4' energy: -115.623 flat angles P-C4'-P energy: -57.359 tors. eta vs tors. theta energy: -147.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1590.579355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.579355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.579355 (E_RNA) where: Base-Base interactions energy: -1063.782 where: short stacking energy: -442.941 Base-Backbone interact. energy: 2.681 local terms energy: -529.478495 where: bonds (distance) C4'-P energy: -101.951 bonds (distance) P-C4' energy: -104.955 flat angles C4'-P-C4' energy: -122.042 flat angles P-C4'-P energy: -70.255 tors. eta vs tors. theta energy: -130.276 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: 5 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1501.454980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.454980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.454980 (E_RNA) where: Base-Base interactions energy: -999.588 where: short stacking energy: -445.525 Base-Backbone interact. energy: -1.242 local terms energy: -500.624738 where: bonds (distance) C4'-P energy: -103.355 bonds (distance) P-C4' energy: -100.698 flat angles C4'-P-C4' energy: -102.981 flat angles P-C4'-P energy: -68.473 tors. eta vs tors. theta energy: -125.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1374.578110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.578110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.578110 (E_RNA) where: Base-Base interactions energy: -896.326 where: short stacking energy: -428.946 Base-Backbone interact. energy: -1.699 local terms energy: -476.553581 where: bonds (distance) C4'-P energy: -95.890 bonds (distance) P-C4' energy: -104.355 flat angles C4'-P-C4' energy: -116.994 flat angles P-C4'-P energy: -56.900 tors. eta vs tors. theta energy: -102.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1250.191032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.191032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.191032 (E_RNA) where: Base-Base interactions energy: -819.356 where: short stacking energy: -359.690 Base-Backbone interact. energy: -1.319 local terms energy: -429.515609 where: bonds (distance) C4'-P energy: -87.746 bonds (distance) P-C4' energy: -96.097 flat angles C4'-P-C4' energy: -99.507 flat angles P-C4'-P energy: -63.556 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: 10 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -873.927976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.927976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.927976 (E_RNA) where: Base-Base interactions energy: -479.230 where: short stacking energy: -243.077 Base-Backbone interact. energy: -0.046 local terms energy: -394.651602 where: bonds (distance) C4'-P energy: -106.069 bonds (distance) P-C4' energy: -102.349 flat angles C4'-P-C4' energy: -96.178 flat angles P-C4'-P energy: -58.789 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: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -786.274913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.274913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.274913 (E_RNA) where: Base-Base interactions energy: -426.482 where: short stacking energy: -195.190 Base-Backbone interact. energy: -1.181 local terms energy: -358.611430 where: bonds (distance) C4'-P energy: -90.469 bonds (distance) P-C4' energy: -101.708 flat angles C4'-P-C4' energy: -92.439 flat angles P-C4'-P energy: -57.992 tors. eta vs tors. theta energy: -16.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -570.329421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.329421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.329421 (E_RNA) where: Base-Base interactions energy: -263.301 where: short stacking energy: -177.179 Base-Backbone interact. energy: -2.384 local terms energy: -304.644165 where: bonds (distance) C4'-P energy: -94.820 bonds (distance) P-C4' energy: -83.674 flat angles C4'-P-C4' energy: -80.054 flat angles P-C4'-P energy: -38.963 tors. eta vs tors. theta energy: -7.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -425.260312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.260312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.260312 (E_RNA) where: Base-Base interactions energy: -137.855 where: short stacking energy: -110.237 Base-Backbone interact. energy: -0.366 local terms energy: -287.039556 where: bonds (distance) C4'-P energy: -87.988 bonds (distance) P-C4' energy: -95.669 flat angles C4'-P-C4' energy: -70.799 flat angles P-C4'-P energy: -47.586 tors. eta vs tors. theta energy: 15.002 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: 7 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1905.070057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.070057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.070057 (E_RNA) where: Base-Base interactions energy: -1290.473 where: short stacking energy: -563.150 Base-Backbone interact. energy: -0.983 local terms energy: -613.614504 where: bonds (distance) C4'-P energy: -109.672 bonds (distance) P-C4' energy: -112.522 flat angles C4'-P-C4' energy: -128.872 flat angles P-C4'-P energy: -87.861 tors. eta vs tors. theta energy: -174.687 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: 175 Temperature: 0.950000 Total energy: -1679.626895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.626895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.626895 (E_RNA) where: Base-Base interactions energy: -1136.694 where: short stacking energy: -510.480 Base-Backbone interact. energy: -2.009 local terms energy: -540.923424 where: bonds (distance) C4'-P energy: -108.921 bonds (distance) P-C4' energy: -103.568 flat angles C4'-P-C4' energy: -106.384 flat angles P-C4'-P energy: -86.556 tors. eta vs tors. theta energy: -135.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1580.356804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.356804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.356804 (E_RNA) where: Base-Base interactions energy: -1057.184 where: short stacking energy: -445.989 Base-Backbone interact. energy: -2.832 local terms energy: -520.340044 where: bonds (distance) C4'-P energy: -104.145 bonds (distance) P-C4' energy: -110.058 flat angles C4'-P-C4' energy: -111.971 flat angles P-C4'-P energy: -72.071 tors. eta vs tors. theta energy: -122.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1527.235963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.235963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.235963 (E_RNA) where: Base-Base interactions energy: -1039.869 where: short stacking energy: -456.115 Base-Backbone interact. energy: -2.885 local terms energy: -484.482380 where: bonds (distance) C4'-P energy: -109.244 bonds (distance) P-C4' energy: -96.755 flat angles C4'-P-C4' energy: -100.754 flat angles P-C4'-P energy: -61.574 tors. eta vs tors. theta energy: -116.155 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: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1398.508982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.508982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.508982 (E_RNA) where: Base-Base interactions energy: -899.427 where: short stacking energy: -436.761 Base-Backbone interact. energy: 0.596 local terms energy: -499.678189 where: bonds (distance) C4'-P energy: -90.773 bonds (distance) P-C4' energy: -110.751 flat angles C4'-P-C4' energy: -103.639 flat angles P-C4'-P energy: -70.183 tors. eta vs tors. theta energy: -124.332 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: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1259.060624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.060624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.060624 (E_RNA) where: Base-Base interactions energy: -814.911 where: short stacking energy: -369.417 Base-Backbone interact. energy: -0.301 local terms energy: -443.848340 where: bonds (distance) C4'-P energy: -94.086 bonds (distance) P-C4' energy: -86.394 flat angles C4'-P-C4' energy: -109.415 flat angles P-C4'-P energy: -60.267 tors. eta vs tors. theta energy: -93.687 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: 10 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -883.578923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.578923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.578923 (E_RNA) where: Base-Base interactions energy: -519.782 where: short stacking energy: -264.319 Base-Backbone interact. energy: -1.640 local terms energy: -362.157158 where: bonds (distance) C4'-P energy: -91.314 bonds (distance) P-C4' energy: -86.054 flat angles C4'-P-C4' energy: -94.275 flat angles P-C4'-P energy: -48.357 tors. eta vs tors. theta energy: -42.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -735.292782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.292782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.292782 (E_RNA) where: Base-Base interactions energy: -397.773 where: short stacking energy: -222.809 Base-Backbone interact. energy: 1.604 local terms energy: -339.123672 where: bonds (distance) C4'-P energy: -76.861 bonds (distance) P-C4' energy: -95.513 flat angles C4'-P-C4' energy: -92.077 flat angles P-C4'-P energy: -47.544 tors. eta vs tors. theta energy: -27.128 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: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -602.172218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.172218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.172218 (E_RNA) where: Base-Base interactions energy: -254.197 where: short stacking energy: -147.147 Base-Backbone interact. energy: -2.180 local terms energy: -345.795555 where: bonds (distance) C4'-P energy: -95.825 bonds (distance) P-C4' energy: -94.004 flat angles C4'-P-C4' energy: -90.349 flat angles P-C4'-P energy: -63.061 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -417.796990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.796990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.796990 (E_RNA) where: Base-Base interactions energy: -145.550 where: short stacking energy: -130.401 Base-Backbone interact. energy: 0.212 local terms energy: -272.459811 where: bonds (distance) C4'-P energy: -80.271 bonds (distance) P-C4' energy: -80.284 flat angles C4'-P-C4' energy: -76.740 flat angles P-C4'-P energy: -53.438 tors. eta vs tors. theta energy: 18.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1893.361278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.361278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.361278 (E_RNA) where: Base-Base interactions energy: -1296.315 where: short stacking energy: -556.375 Base-Backbone interact. energy: -3.571 local terms energy: -593.475196 where: bonds (distance) C4'-P energy: -116.013 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -118.715 flat angles P-C4'-P energy: -84.370 tors. eta vs tors. theta energy: -158.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1677.024536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.024536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.024536 (E_RNA) where: Base-Base interactions energy: -1115.898 where: short stacking energy: -487.403 Base-Backbone interact. energy: -3.969 local terms energy: -557.157508 where: bonds (distance) C4'-P energy: -101.554 bonds (distance) P-C4' energy: -116.182 flat angles C4'-P-C4' energy: -130.816 flat angles P-C4'-P energy: -65.091 tors. eta vs tors. theta energy: -143.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1583.996233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.996233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.996233 (E_RNA) where: Base-Base interactions energy: -1063.640 where: short stacking energy: -438.082 Base-Backbone interact. energy: -2.133 local terms energy: -518.222712 where: bonds (distance) C4'-P energy: -100.123 bonds (distance) P-C4' energy: -95.867 flat angles C4'-P-C4' energy: -121.859 flat angles P-C4'-P energy: -72.814 tors. eta vs tors. theta energy: -127.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1521.815105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.815105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.815105 (E_RNA) where: Base-Base interactions energy: -1005.012 where: short stacking energy: -462.490 Base-Backbone interact. energy: 0.753 local terms energy: -517.556415 where: bonds (distance) C4'-P energy: -96.228 bonds (distance) P-C4' energy: -100.175 flat angles C4'-P-C4' energy: -123.577 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -134.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1408.328486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.328486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.328486 (E_RNA) where: Base-Base interactions energy: -926.296 where: short stacking energy: -411.322 Base-Backbone interact. energy: 0.335 local terms energy: -482.367676 where: bonds (distance) C4'-P energy: -83.211 bonds (distance) P-C4' energy: -104.929 flat angles C4'-P-C4' energy: -102.724 flat angles P-C4'-P energy: -71.916 tors. eta vs tors. theta energy: -119.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1180.417113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.417113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.417113 (E_RNA) where: Base-Base interactions energy: -757.499 where: short stacking energy: -320.936 Base-Backbone interact. energy: 5.829 local terms energy: -428.746925 where: bonds (distance) C4'-P energy: -92.785 bonds (distance) P-C4' energy: -102.268 flat angles C4'-P-C4' energy: -81.557 flat angles P-C4'-P energy: -61.812 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: 10 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -868.151687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.151687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.151687 (E_RNA) where: Base-Base interactions energy: -488.578 where: short stacking energy: -232.208 Base-Backbone interact. energy: 1.727 local terms energy: -381.300925 where: bonds (distance) C4'-P energy: -94.241 bonds (distance) P-C4' energy: -103.209 flat angles C4'-P-C4' energy: -93.429 flat angles P-C4'-P energy: -60.123 tors. eta vs tors. theta energy: -30.299 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: 8, replica: 9 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -723.762849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.762849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.762849 (E_RNA) where: Base-Base interactions energy: -379.679 where: short stacking energy: -211.077 Base-Backbone interact. energy: 3.938 local terms energy: -348.021615 where: bonds (distance) C4'-P energy: -84.450 bonds (distance) P-C4' energy: -80.325 flat angles C4'-P-C4' energy: -94.893 flat angles P-C4'-P energy: -63.677 tors. eta vs tors. theta energy: -24.676 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: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -559.622369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.622369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.622369 (E_RNA) where: Base-Base interactions energy: -248.927 where: short stacking energy: -156.827 Base-Backbone interact. energy: -1.177 local terms energy: -309.517764 where: bonds (distance) C4'-P energy: -91.377 bonds (distance) P-C4' energy: -94.321 flat angles C4'-P-C4' energy: -73.781 flat angles P-C4'-P energy: -44.484 tors. eta vs tors. theta energy: -5.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -423.489674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.489674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.489674 (E_RNA) where: Base-Base interactions energy: -142.065 where: short stacking energy: -104.403 Base-Backbone interact. energy: -0.938 local terms energy: -280.486918 where: bonds (distance) C4'-P energy: -83.910 bonds (distance) P-C4' energy: -90.572 flat angles C4'-P-C4' energy: -76.198 flat angles P-C4'-P energy: -47.919 tors. eta vs tors. theta energy: 18.112 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: 1, replica: 7 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1878.492067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.492067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.492067 (E_RNA) where: Base-Base interactions energy: -1286.052 where: short stacking energy: -536.712 Base-Backbone interact. energy: -1.506 local terms energy: -590.933755 where: bonds (distance) C4'-P energy: -108.102 bonds (distance) P-C4' energy: -111.142 flat angles C4'-P-C4' energy: -120.230 flat angles P-C4'-P energy: -83.935 tors. eta vs tors. theta energy: -167.525 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: 177 Temperature: 0.950000 Total energy: -1688.782494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.782494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.782494 (E_RNA) where: Base-Base interactions energy: -1109.526 where: short stacking energy: -490.197 Base-Backbone interact. energy: 0.116 local terms energy: -579.372518 where: bonds (distance) C4'-P energy: -105.513 bonds (distance) P-C4' energy: -130.014 flat angles C4'-P-C4' energy: -120.503 flat angles P-C4'-P energy: -78.133 tors. eta vs tors. theta energy: -145.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1590.712892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.712892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.712892 (E_RNA) where: Base-Base interactions energy: -1061.809 where: short stacking energy: -452.141 Base-Backbone interact. energy: 6.773 local terms energy: -535.677010 where: bonds (distance) C4'-P energy: -108.375 bonds (distance) P-C4' energy: -107.683 flat angles C4'-P-C4' energy: -110.752 flat angles P-C4'-P energy: -71.559 tors. eta vs tors. theta energy: -137.309 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: 4, replica: 5 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1520.155423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.155423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.155423 (E_RNA) where: Base-Base interactions energy: -1020.703 where: short stacking energy: -446.144 Base-Backbone interact. energy: 0.330 local terms energy: -499.782424 where: bonds (distance) C4'-P energy: -87.227 bonds (distance) P-C4' energy: -98.962 flat angles C4'-P-C4' energy: -113.049 flat angles P-C4'-P energy: -70.914 tors. eta vs tors. theta energy: -129.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1411.135858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.135858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.135858 (E_RNA) where: Base-Base interactions energy: -917.298 where: short stacking energy: -396.349 Base-Backbone interact. energy: -1.773 local terms energy: -492.064798 where: bonds (distance) C4'-P energy: -101.943 bonds (distance) P-C4' energy: -94.456 flat angles C4'-P-C4' energy: -114.291 flat angles P-C4'-P energy: -71.743 tors. eta vs tors. theta energy: -109.632 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: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1263.973705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.973705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.973705 (E_RNA) where: Base-Base interactions energy: -808.566 where: short stacking energy: -360.617 Base-Backbone interact. energy: -1.970 local terms energy: -453.437698 where: bonds (distance) C4'-P energy: -96.368 bonds (distance) P-C4' energy: -101.539 flat angles C4'-P-C4' energy: -99.189 flat angles P-C4'-P energy: -64.775 tors. eta vs tors. theta energy: -91.566 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: 10 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -905.341982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.341982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.341982 (E_RNA) where: Base-Base interactions energy: -532.985 where: short stacking energy: -259.040 Base-Backbone interact. energy: -2.483 local terms energy: -369.874055 where: bonds (distance) C4'-P energy: -86.352 bonds (distance) P-C4' energy: -92.978 flat angles C4'-P-C4' energy: -77.337 flat angles P-C4'-P energy: -72.247 tors. eta vs tors. theta energy: -40.960 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: 177 Temperature: 1.250000 Total energy: -737.996024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.996024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.996024 (E_RNA) where: Base-Base interactions energy: -371.278 where: short stacking energy: -209.938 Base-Backbone interact. energy: 1.985 local terms energy: -368.703245 where: bonds (distance) C4'-P energy: -107.482 bonds (distance) P-C4' energy: -90.777 flat angles C4'-P-C4' energy: -90.645 flat angles P-C4'-P energy: -49.384 tors. eta vs tors. theta energy: -30.414 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: 9, replica: 8 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -545.731832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.731832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.731832 (E_RNA) where: Base-Base interactions energy: -240.311 where: short stacking energy: -134.902 Base-Backbone interact. energy: 3.140 local terms energy: -308.560384 where: bonds (distance) C4'-P energy: -86.392 bonds (distance) P-C4' energy: -98.499 flat angles C4'-P-C4' energy: -90.187 flat angles P-C4'-P energy: -55.442 tors. eta vs tors. theta energy: 21.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -422.879660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.879660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.879660 (E_RNA) where: Base-Base interactions energy: -146.776 where: short stacking energy: -130.519 Base-Backbone interact. energy: 0.911 local terms energy: -277.014306 where: bonds (distance) C4'-P energy: -86.975 bonds (distance) P-C4' energy: -68.463 flat angles C4'-P-C4' energy: -87.398 flat angles P-C4'-P energy: -50.305 tors. eta vs tors. theta energy: 16.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1859.530412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.530412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.530412 (E_RNA) where: Base-Base interactions energy: -1285.253 where: short stacking energy: -549.210 Base-Backbone interact. energy: 0.421 local terms energy: -574.699116 where: bonds (distance) C4'-P energy: -96.138 bonds (distance) P-C4' energy: -111.369 flat angles C4'-P-C4' energy: -116.504 flat angles P-C4'-P energy: -84.202 tors. eta vs tors. theta energy: -166.485 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: 2, replica: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1646.556384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.556384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.556384 (E_RNA) where: Base-Base interactions energy: -1118.148 where: short stacking energy: -479.192 Base-Backbone interact. energy: -2.809 local terms energy: -525.599213 where: bonds (distance) C4'-P energy: -114.266 bonds (distance) P-C4' energy: -89.906 flat angles C4'-P-C4' energy: -126.260 flat angles P-C4'-P energy: -58.280 tors. eta vs tors. theta energy: -136.887 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: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1583.879219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.879219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.879219 (E_RNA) where: Base-Base interactions energy: -1057.739 where: short stacking energy: -434.702 Base-Backbone interact. energy: -2.027 local terms energy: -524.112762 where: bonds (distance) C4'-P energy: -101.194 bonds (distance) P-C4' energy: -107.847 flat angles C4'-P-C4' energy: -118.587 flat angles P-C4'-P energy: -69.754 tors. eta vs tors. theta energy: -126.730 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: 4, replica: 5 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1495.580152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.580152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.580152 (E_RNA) where: Base-Base interactions energy: -956.310 where: short stacking energy: -433.097 Base-Backbone interact. energy: -1.144 local terms energy: -538.126594 where: bonds (distance) C4'-P energy: -111.840 bonds (distance) P-C4' energy: -115.165 flat angles C4'-P-C4' energy: -109.485 flat angles P-C4'-P energy: -75.528 tors. eta vs tors. theta energy: -126.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1383.422723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.422723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.422723 (E_RNA) where: Base-Base interactions energy: -905.048 where: short stacking energy: -382.599 Base-Backbone interact. energy: 3.692 local terms energy: -482.066573 where: bonds (distance) C4'-P energy: -95.351 bonds (distance) P-C4' energy: -99.484 flat angles C4'-P-C4' energy: -116.432 flat angles P-C4'-P energy: -62.013 tors. eta vs tors. theta energy: -108.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1244.323674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.323674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.323674 (E_RNA) where: Base-Base interactions energy: -813.449 where: short stacking energy: -331.438 Base-Backbone interact. energy: 3.229 local terms energy: -434.104088 where: bonds (distance) C4'-P energy: -95.671 bonds (distance) P-C4' energy: -99.375 flat angles C4'-P-C4' energy: -100.379 flat angles P-C4'-P energy: -60.014 tors. eta vs tors. theta energy: -78.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -961.257112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.257112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.257112 (E_RNA) where: Base-Base interactions energy: -587.320 where: short stacking energy: -271.842 Base-Backbone interact. energy: -0.123 local terms energy: -373.813462 where: bonds (distance) C4'-P energy: -91.345 bonds (distance) P-C4' energy: -91.196 flat angles C4'-P-C4' energy: -71.490 flat angles P-C4'-P energy: -67.109 tors. eta vs tors. theta energy: -52.674 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: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -731.343039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.343039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.343039 (E_RNA) where: Base-Base interactions energy: -389.439 where: short stacking energy: -206.234 Base-Backbone interact. energy: 2.866 local terms energy: -344.770863 where: bonds (distance) C4'-P energy: -94.585 bonds (distance) P-C4' energy: -108.069 flat angles C4'-P-C4' energy: -79.557 flat angles P-C4'-P energy: -46.088 tors. eta vs tors. theta energy: -16.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -567.211262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.211262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.211262 (E_RNA) where: Base-Base interactions energy: -253.547 where: short stacking energy: -147.223 Base-Backbone interact. energy: 7.025 local terms energy: -320.689327 where: bonds (distance) C4'-P energy: -93.083 bonds (distance) P-C4' energy: -115.088 flat angles C4'-P-C4' energy: -84.786 flat angles P-C4'-P energy: -43.447 tors. eta vs tors. theta energy: 15.714 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: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -456.293441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.293441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.293441 (E_RNA) where: Base-Base interactions energy: -175.396 where: short stacking energy: -149.506 Base-Backbone interact. energy: 5.020 local terms energy: -285.917760 where: bonds (distance) C4'-P energy: -88.852 bonds (distance) P-C4' energy: -87.578 flat angles C4'-P-C4' energy: -73.596 flat angles P-C4'-P energy: -46.016 tors. eta vs tors. theta energy: 10.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1861.403503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.403503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.403503 (E_RNA) where: Base-Base interactions energy: -1268.278 where: short stacking energy: -540.035 Base-Backbone interact. energy: -2.490 local terms energy: -590.635448 where: bonds (distance) C4'-P energy: -111.118 bonds (distance) P-C4' energy: -115.306 flat angles C4'-P-C4' energy: -124.510 flat angles P-C4'-P energy: -76.564 tors. eta vs tors. theta energy: -163.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1654.458465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.458465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.458465 (E_RNA) where: Base-Base interactions energy: -1112.402 where: short stacking energy: -475.126 Base-Backbone interact. energy: 0.878 local terms energy: -542.934184 where: bonds (distance) C4'-P energy: -102.829 bonds (distance) P-C4' energy: -109.176 flat angles C4'-P-C4' energy: -128.154 flat angles P-C4'-P energy: -72.899 tors. eta vs tors. theta energy: -129.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1616.722354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.722354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.722354 (E_RNA) where: Base-Base interactions energy: -1074.256 where: short stacking energy: -466.950 Base-Backbone interact. energy: -6.222 local terms energy: -536.244134 where: bonds (distance) C4'-P energy: -111.540 bonds (distance) P-C4' energy: -111.181 flat angles C4'-P-C4' energy: -114.161 flat angles P-C4'-P energy: -65.339 tors. eta vs tors. theta energy: -134.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1508.122318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.122318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.122318 (E_RNA) where: Base-Base interactions energy: -998.800 where: short stacking energy: -441.469 Base-Backbone interact. energy: -1.000 local terms energy: -508.323045 where: bonds (distance) C4'-P energy: -99.189 bonds (distance) P-C4' energy: -104.126 flat angles C4'-P-C4' energy: -100.470 flat angles P-C4'-P energy: -80.664 tors. eta vs tors. theta energy: -123.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1432.117311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.117311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.117311 (E_RNA) where: Base-Base interactions energy: -928.778 where: short stacking energy: -418.623 Base-Backbone interact. energy: -0.350 local terms energy: -502.989530 where: bonds (distance) C4'-P energy: -95.871 bonds (distance) P-C4' energy: -101.257 flat angles C4'-P-C4' energy: -107.970 flat angles P-C4'-P energy: -72.867 tors. eta vs tors. theta energy: -125.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1249.346045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.346045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.346045 (E_RNA) where: Base-Base interactions energy: -817.757 where: short stacking energy: -357.751 Base-Backbone interact. energy: 0.337 local terms energy: -431.926212 where: bonds (distance) C4'-P energy: -104.960 bonds (distance) P-C4' energy: -103.308 flat angles C4'-P-C4' energy: -104.299 flat angles P-C4'-P energy: -47.105 tors. eta vs tors. theta energy: -72.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -925.116789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.116789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.116789 (E_RNA) where: Base-Base interactions energy: -540.647 where: short stacking energy: -238.848 Base-Backbone interact. energy: -0.256 local terms energy: -384.213293 where: bonds (distance) C4'-P energy: -100.271 bonds (distance) P-C4' energy: -111.395 flat angles C4'-P-C4' energy: -81.975 flat angles P-C4'-P energy: -42.137 tors. eta vs tors. theta energy: -48.435 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: 179 Temperature: 1.250000 Total energy: -744.376547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.376547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.376547 (E_RNA) where: Base-Base interactions energy: -373.381 where: short stacking energy: -180.405 Base-Backbone interact. energy: 3.335 local terms energy: -374.330837 where: bonds (distance) C4'-P energy: -97.369 bonds (distance) P-C4' energy: -103.745 flat angles C4'-P-C4' energy: -91.076 flat angles P-C4'-P energy: -74.783 tors. eta vs tors. theta energy: -7.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -591.502643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.502643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.502643 (E_RNA) where: Base-Base interactions energy: -264.045 where: short stacking energy: -178.073 Base-Backbone interact. energy: 0.186 local terms energy: -327.643026 where: bonds (distance) C4'-P energy: -96.081 bonds (distance) P-C4' energy: -104.654 flat angles C4'-P-C4' energy: -77.210 flat angles P-C4'-P energy: -33.867 tors. eta vs tors. theta energy: -15.831 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: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -444.868426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.868426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.868426 (E_RNA) where: Base-Base interactions energy: -138.987 where: short stacking energy: -114.572 Base-Backbone interact. energy: 1.009 local terms energy: -306.890177 where: bonds (distance) C4'-P energy: -94.733 bonds (distance) P-C4' energy: -108.419 flat angles C4'-P-C4' energy: -80.225 flat angles P-C4'-P energy: -40.688 tors. eta vs tors. theta energy: 17.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1880.429853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.429853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.429853 (E_RNA) where: Base-Base interactions energy: -1279.913 where: short stacking energy: -540.159 Base-Backbone interact. energy: 1.135 local terms energy: -601.651354 where: bonds (distance) C4'-P energy: -109.197 bonds (distance) P-C4' energy: -120.648 flat angles C4'-P-C4' energy: -125.137 flat angles P-C4'-P energy: -72.706 tors. eta vs tors. theta energy: -173.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1672.237864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.237864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.237864 (E_RNA) where: Base-Base interactions energy: -1114.761 where: short stacking energy: -481.007 Base-Backbone interact. energy: -1.719 local terms energy: -555.758709 where: bonds (distance) C4'-P energy: -108.952 bonds (distance) P-C4' energy: -117.286 flat angles C4'-P-C4' energy: -114.918 flat angles P-C4'-P energy: -73.838 tors. eta vs tors. theta energy: -140.764 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: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1620.629281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.629281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.629281 (E_RNA) where: Base-Base interactions energy: -1084.957 where: short stacking energy: -465.690 Base-Backbone interact. energy: -1.576 local terms energy: -534.096377 where: bonds (distance) C4'-P energy: -99.391 bonds (distance) P-C4' energy: -108.054 flat angles C4'-P-C4' energy: -124.526 flat angles P-C4'-P energy: -77.137 tors. eta vs tors. theta energy: -124.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1477.755820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.755820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.755820 (E_RNA) where: Base-Base interactions energy: -963.562 where: short stacking energy: -420.029 Base-Backbone interact. energy: -1.118 local terms energy: -513.075525 where: bonds (distance) C4'-P energy: -100.100 bonds (distance) P-C4' energy: -113.808 flat angles C4'-P-C4' energy: -114.688 flat angles P-C4'-P energy: -72.584 tors. eta vs tors. theta energy: -111.896 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: 5, replica: 6 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1443.144032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.144032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.144032 (E_RNA) where: Base-Base interactions energy: -946.396 where: short stacking energy: -413.968 Base-Backbone interact. energy: -2.338 local terms energy: -494.409291 where: bonds (distance) C4'-P energy: -92.756 bonds (distance) P-C4' energy: -95.257 flat angles C4'-P-C4' energy: -113.743 flat angles P-C4'-P energy: -63.566 tors. eta vs tors. theta energy: -129.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1235.758246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.758246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.758246 (E_RNA) where: Base-Base interactions energy: -812.740 where: short stacking energy: -332.036 Base-Backbone interact. energy: 0.992 local terms energy: -424.009778 where: bonds (distance) C4'-P energy: -85.701 bonds (distance) P-C4' energy: -97.628 flat angles C4'-P-C4' energy: -88.918 flat angles P-C4'-P energy: -58.740 tors. eta vs tors. theta energy: -93.023 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: 10 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -868.939159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.939159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.939159 (E_RNA) where: Base-Base interactions energy: -465.918 where: short stacking energy: -230.320 Base-Backbone interact. energy: -1.008 local terms energy: -402.013010 where: bonds (distance) C4'-P energy: -114.139 bonds (distance) P-C4' energy: -105.431 flat angles C4'-P-C4' energy: -85.893 flat angles P-C4'-P energy: -55.374 tors. eta vs tors. theta energy: -41.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -771.565678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.565678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.565678 (E_RNA) where: Base-Base interactions energy: -418.849 where: short stacking energy: -206.512 Base-Backbone interact. energy: -1.731 local terms energy: -350.985289 where: bonds (distance) C4'-P energy: -96.518 bonds (distance) P-C4' energy: -98.116 flat angles C4'-P-C4' energy: -75.878 flat angles P-C4'-P energy: -52.241 tors. eta vs tors. theta energy: -28.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -555.414184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.414184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.414184 (E_RNA) where: Base-Base interactions energy: -204.445 where: short stacking energy: -145.700 Base-Backbone interact. energy: -3.866 local terms energy: -347.103547 where: bonds (distance) C4'-P energy: -88.596 bonds (distance) P-C4' energy: -91.917 flat angles C4'-P-C4' energy: -87.847 flat angles P-C4'-P energy: -76.073 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -430.065637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.065637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.065637 (E_RNA) where: Base-Base interactions energy: -139.692 where: short stacking energy: -104.098 Base-Backbone interact. energy: -0.245 local terms energy: -290.128974 where: bonds (distance) C4'-P energy: -80.841 bonds (distance) P-C4' energy: -81.952 flat angles C4'-P-C4' energy: -94.449 flat angles P-C4'-P energy: -57.553 tors. eta vs tors. theta energy: 24.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1898.151395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.151395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.151395 (E_RNA) where: Base-Base interactions energy: -1291.437 where: short stacking energy: -577.115 Base-Backbone interact. energy: -1.874 local terms energy: -604.840296 where: bonds (distance) C4'-P energy: -105.283 bonds (distance) P-C4' energy: -108.537 flat angles C4'-P-C4' energy: -132.936 flat angles P-C4'-P energy: -77.163 tors. eta vs tors. theta energy: -180.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1660.498465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.498465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.498465 (E_RNA) where: Base-Base interactions energy: -1104.835 where: short stacking energy: -457.773 Base-Backbone interact. energy: -4.161 local terms energy: -551.503018 where: bonds (distance) C4'-P energy: -99.481 bonds (distance) P-C4' energy: -106.107 flat angles C4'-P-C4' energy: -125.837 flat angles P-C4'-P energy: -87.262 tors. eta vs tors. theta energy: -132.816 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: 1 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1614.679833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.679833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.679833 (E_RNA) where: Base-Base interactions energy: -1067.255 where: short stacking energy: -451.892 Base-Backbone interact. energy: -3.368 local terms energy: -544.057126 where: bonds (distance) C4'-P energy: -108.910 bonds (distance) P-C4' energy: -103.235 flat angles C4'-P-C4' energy: -120.313 flat angles P-C4'-P energy: -82.198 tors. eta vs tors. theta energy: -129.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1492.889869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.889869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.889869 (E_RNA) where: Base-Base interactions energy: -986.339 where: short stacking energy: -440.467 Base-Backbone interact. energy: -2.274 local terms energy: -504.276282 where: bonds (distance) C4'-P energy: -94.039 bonds (distance) P-C4' energy: -107.247 flat angles C4'-P-C4' energy: -114.387 flat angles P-C4'-P energy: -73.912 tors. eta vs tors. theta energy: -114.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1447.244241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.244241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.244241 (E_RNA) where: Base-Base interactions energy: -947.678 where: short stacking energy: -400.160 Base-Backbone interact. energy: -1.499 local terms energy: -498.067817 where: bonds (distance) C4'-P energy: -102.603 bonds (distance) P-C4' energy: -111.250 flat angles C4'-P-C4' energy: -106.665 flat angles P-C4'-P energy: -60.059 tors. eta vs tors. theta energy: -117.491 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: 2 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1204.834677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.834677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.834677 (E_RNA) where: Base-Base interactions energy: -778.641 where: short stacking energy: -340.363 Base-Backbone interact. energy: -2.572 local terms energy: -423.621446 where: bonds (distance) C4'-P energy: -89.993 bonds (distance) P-C4' energy: -98.832 flat angles C4'-P-C4' energy: -97.862 flat angles P-C4'-P energy: -55.814 tors. eta vs tors. theta energy: -81.119 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: 10 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -851.007178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.007178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.007178 (E_RNA) where: Base-Base interactions energy: -464.105 where: short stacking energy: -236.298 Base-Backbone interact. energy: -2.661 local terms energy: -384.241599 where: bonds (distance) C4'-P energy: -104.824 bonds (distance) P-C4' energy: -90.253 flat angles C4'-P-C4' energy: -98.799 flat angles P-C4'-P energy: -49.792 tors. eta vs tors. theta energy: -40.574 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: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -779.573971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.573971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.573971 (E_RNA) where: Base-Base interactions energy: -423.990 where: short stacking energy: -210.782 Base-Backbone interact. energy: -1.672 local terms energy: -353.912449 where: bonds (distance) C4'-P energy: -82.221 bonds (distance) P-C4' energy: -78.463 flat angles C4'-P-C4' energy: -97.768 flat angles P-C4'-P energy: -65.172 tors. eta vs tors. theta energy: -30.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -565.222527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.222527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.222527 (E_RNA) where: Base-Base interactions energy: -234.899 where: short stacking energy: -136.226 Base-Backbone interact. energy: 3.135 local terms energy: -333.458308 where: bonds (distance) C4'-P energy: -85.563 bonds (distance) P-C4' energy: -105.858 flat angles C4'-P-C4' energy: -75.202 flat angles P-C4'-P energy: -63.447 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -421.685313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.685313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.685313 (E_RNA) where: Base-Base interactions energy: -154.793 where: short stacking energy: -132.556 Base-Backbone interact. energy: 0.812 local terms energy: -267.704735 where: bonds (distance) C4'-P energy: -89.905 bonds (distance) P-C4' energy: -88.449 flat angles C4'-P-C4' energy: -77.398 flat angles P-C4'-P energy: -34.435 tors. eta vs tors. theta energy: 22.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1859.182928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.182928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.182928 (E_RNA) where: Base-Base interactions energy: -1254.930 where: short stacking energy: -542.980 Base-Backbone interact. energy: -1.543 local terms energy: -602.710352 where: bonds (distance) C4'-P energy: -110.224 bonds (distance) P-C4' energy: -115.786 flat angles C4'-P-C4' energy: -125.951 flat angles P-C4'-P energy: -86.718 tors. eta vs tors. theta energy: -164.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1625.357278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.357278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.357278 (E_RNA) where: Base-Base interactions energy: -1091.143 where: short stacking energy: -463.585 Base-Backbone interact. energy: -2.083 local terms energy: -532.130846 where: bonds (distance) C4'-P energy: -111.453 bonds (distance) P-C4' energy: -101.284 flat angles C4'-P-C4' energy: -115.345 flat angles P-C4'-P energy: -77.056 tors. eta vs tors. theta energy: -126.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1612.414250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.414250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.414250 (E_RNA) where: Base-Base interactions energy: -1080.135 where: short stacking energy: -461.912 Base-Backbone interact. energy: -3.405 local terms energy: -528.873943 where: bonds (distance) C4'-P energy: -100.431 bonds (distance) P-C4' energy: -114.449 flat angles C4'-P-C4' energy: -104.403 flat angles P-C4'-P energy: -84.182 tors. eta vs tors. theta energy: -125.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1494.340893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.340893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.340893 (E_RNA) where: Base-Base interactions energy: -978.087 where: short stacking energy: -410.856 Base-Backbone interact. energy: -1.711 local terms energy: -514.542896 where: bonds (distance) C4'-P energy: -100.520 bonds (distance) P-C4' energy: -103.528 flat angles C4'-P-C4' energy: -113.093 flat angles P-C4'-P energy: -83.588 tors. eta vs tors. theta energy: -113.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1408.549963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.549963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.549963 (E_RNA) where: Base-Base interactions energy: -945.108 where: short stacking energy: -400.588 Base-Backbone interact. energy: -2.133 local terms energy: -461.308580 where: bonds (distance) C4'-P energy: -106.138 bonds (distance) P-C4' energy: -86.856 flat angles C4'-P-C4' energy: -99.629 flat angles P-C4'-P energy: -72.498 tors. eta vs tors. theta energy: -96.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1180.161935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.161935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.161935 (E_RNA) where: Base-Base interactions energy: -743.304 where: short stacking energy: -351.260 Base-Backbone interact. energy: -0.866 local terms energy: -435.991878 where: bonds (distance) C4'-P energy: -81.728 bonds (distance) P-C4' energy: -102.955 flat angles C4'-P-C4' energy: -107.415 flat angles P-C4'-P energy: -64.847 tors. eta vs tors. theta energy: -79.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -871.357459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.357459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.357459 (E_RNA) where: Base-Base interactions energy: -512.498 where: short stacking energy: -242.207 Base-Backbone interact. energy: 7.236 local terms energy: -366.095525 where: bonds (distance) C4'-P energy: -90.190 bonds (distance) P-C4' energy: -106.725 flat angles C4'-P-C4' energy: -86.783 flat angles P-C4'-P energy: -64.327 tors. eta vs tors. theta energy: -18.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -705.215992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.215992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.215992 (E_RNA) where: Base-Base interactions energy: -360.350 where: short stacking energy: -188.341 Base-Backbone interact. energy: -2.288 local terms energy: -342.577506 where: bonds (distance) C4'-P energy: -102.663 bonds (distance) P-C4' energy: -84.536 flat angles C4'-P-C4' energy: -76.676 flat angles P-C4'-P energy: -59.745 tors. eta vs tors. theta energy: -18.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -576.866894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.866894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.866894 (E_RNA) where: Base-Base interactions energy: -285.648 where: short stacking energy: -141.838 Base-Backbone interact. energy: -2.841 local terms energy: -288.378466 where: bonds (distance) C4'-P energy: -82.672 bonds (distance) P-C4' energy: -101.391 flat angles C4'-P-C4' energy: -58.592 flat angles P-C4'-P energy: -49.652 tors. eta vs tors. theta energy: 3.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -417.707123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.707123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.707123 (E_RNA) where: Base-Base interactions energy: -112.697 where: short stacking energy: -99.497 Base-Backbone interact. energy: -2.593 local terms energy: -302.417706 where: bonds (distance) C4'-P energy: -90.999 bonds (distance) P-C4' energy: -80.840 flat angles C4'-P-C4' energy: -79.355 flat angles P-C4'-P energy: -66.514 tors. eta vs tors. theta energy: 15.290 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: 7 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1890.933374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.933374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.933374 (E_RNA) where: Base-Base interactions energy: -1268.530 where: short stacking energy: -562.498 Base-Backbone interact. energy: -3.065 local terms energy: -619.338944 where: bonds (distance) C4'-P energy: -112.821 bonds (distance) P-C4' energy: -117.907 flat angles C4'-P-C4' energy: -122.210 flat angles P-C4'-P energy: -98.273 tors. eta vs tors. theta energy: -168.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1659.199452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.199452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.199452 (E_RNA) where: Base-Base interactions energy: -1119.028 where: short stacking energy: -508.283 Base-Backbone interact. energy: -0.930 local terms energy: -539.241967 where: bonds (distance) C4'-P energy: -105.259 bonds (distance) P-C4' energy: -95.346 flat angles C4'-P-C4' energy: -115.315 flat angles P-C4'-P energy: -82.050 tors. eta vs tors. theta energy: -141.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1597.191910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.191910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.191910 (E_RNA) where: Base-Base interactions energy: -1064.314 where: short stacking energy: -431.223 Base-Backbone interact. energy: -0.015 local terms energy: -532.862342 where: bonds (distance) C4'-P energy: -104.185 bonds (distance) P-C4' energy: -112.704 flat angles C4'-P-C4' energy: -112.143 flat angles P-C4'-P energy: -69.947 tors. eta vs tors. theta energy: -133.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1484.842936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.842936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.842936 (E_RNA) where: Base-Base interactions energy: -983.433 where: short stacking energy: -420.610 Base-Backbone interact. energy: -0.475 local terms energy: -500.935131 where: bonds (distance) C4'-P energy: -119.204 bonds (distance) P-C4' energy: -93.824 flat angles C4'-P-C4' energy: -105.112 flat angles P-C4'-P energy: -67.094 tors. eta vs tors. theta energy: -115.701 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: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1396.055013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.055013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.055013 (E_RNA) where: Base-Base interactions energy: -927.124 where: short stacking energy: -429.859 Base-Backbone interact. energy: -1.831 local terms energy: -467.100485 where: bonds (distance) C4'-P energy: -107.203 bonds (distance) P-C4' energy: -102.457 flat angles C4'-P-C4' energy: -86.167 flat angles P-C4'-P energy: -67.175 tors. eta vs tors. theta energy: -104.099 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: 2 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1163.733223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.733223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.733223 (E_RNA) where: Base-Base interactions energy: -738.167 where: short stacking energy: -336.158 Base-Backbone interact. energy: -0.344 local terms energy: -425.222342 where: bonds (distance) C4'-P energy: -93.855 bonds (distance) P-C4' energy: -97.066 flat angles C4'-P-C4' energy: -99.768 flat angles P-C4'-P energy: -63.960 tors. eta vs tors. theta energy: -70.573 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: 10 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -832.012889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.012889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.012889 (E_RNA) where: Base-Base interactions energy: -456.123 where: short stacking energy: -233.692 Base-Backbone interact. energy: 0.719 local terms energy: -376.608281 where: bonds (distance) C4'-P energy: -95.689 bonds (distance) P-C4' energy: -94.136 flat angles C4'-P-C4' energy: -100.337 flat angles P-C4'-P energy: -51.627 tors. eta vs tors. theta energy: -34.819 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: 8, replica: 9 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -697.600736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.600736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.600736 (E_RNA) where: Base-Base interactions energy: -350.481 where: short stacking energy: -193.047 Base-Backbone interact. energy: 1.079 local terms energy: -348.199631 where: bonds (distance) C4'-P energy: -101.649 bonds (distance) P-C4' energy: -93.267 flat angles C4'-P-C4' energy: -92.802 flat angles P-C4'-P energy: -54.410 tors. eta vs tors. theta energy: -6.072 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: 183 Temperature: 1.300000 Total energy: -629.235703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.235703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.235703 (E_RNA) where: Base-Base interactions energy: -305.463 where: short stacking energy: -169.671 Base-Backbone interact. energy: 2.205 local terms energy: -325.978050 where: bonds (distance) C4'-P energy: -99.810 bonds (distance) P-C4' energy: -94.892 flat angles C4'-P-C4' energy: -91.303 flat angles P-C4'-P energy: -42.691 tors. eta vs tors. theta energy: 2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -442.063956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.063956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.063956 (E_RNA) where: Base-Base interactions energy: -170.632 where: short stacking energy: -142.203 Base-Backbone interact. energy: 6.925 local terms energy: -278.357273 where: bonds (distance) C4'-P energy: -79.218 bonds (distance) P-C4' energy: -77.861 flat angles C4'-P-C4' energy: -71.812 flat angles P-C4'-P energy: -55.694 tors. eta vs tors. theta energy: 6.228 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: 7 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1893.033246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.033246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.033246 (E_RNA) where: Base-Base interactions energy: -1275.097 where: short stacking energy: -541.866 Base-Backbone interact. energy: -1.438 local terms energy: -616.498160 where: bonds (distance) C4'-P energy: -113.184 bonds (distance) P-C4' energy: -100.387 flat angles C4'-P-C4' energy: -132.732 flat angles P-C4'-P energy: -101.960 tors. eta vs tors. theta energy: -168.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1637.102559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.102559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.102559 (E_RNA) where: Base-Base interactions energy: -1100.288 where: short stacking energy: -463.313 Base-Backbone interact. energy: -1.859 local terms energy: -534.955531 where: bonds (distance) C4'-P energy: -97.342 bonds (distance) P-C4' energy: -106.906 flat angles C4'-P-C4' energy: -122.026 flat angles P-C4'-P energy: -76.691 tors. eta vs tors. theta energy: -131.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1599.823858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.823858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.823858 (E_RNA) where: Base-Base interactions energy: -1073.623 where: short stacking energy: -453.278 Base-Backbone interact. energy: -2.297 local terms energy: -523.903923 where: bonds (distance) C4'-P energy: -106.779 bonds (distance) P-C4' energy: -110.039 flat angles C4'-P-C4' energy: -113.597 flat angles P-C4'-P energy: -63.906 tors. eta vs tors. theta energy: -129.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1442.554056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.554056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.554056 (E_RNA) where: Base-Base interactions energy: -946.894 where: short stacking energy: -395.238 Base-Backbone interact. energy: -3.805 local terms energy: -491.854939 where: bonds (distance) C4'-P energy: -101.782 bonds (distance) P-C4' energy: -97.230 flat angles C4'-P-C4' energy: -107.541 flat angles P-C4'-P energy: -69.087 tors. eta vs tors. theta energy: -116.215 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: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1439.793345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.793345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.793345 (E_RNA) where: Base-Base interactions energy: -951.399 where: short stacking energy: -401.635 Base-Backbone interact. energy: -0.349 local terms energy: -488.045277 where: bonds (distance) C4'-P energy: -91.402 bonds (distance) P-C4' energy: -98.236 flat angles C4'-P-C4' energy: -111.840 flat angles P-C4'-P energy: -74.254 tors. eta vs tors. theta energy: -112.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1155.656183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.656183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.656183 (E_RNA) where: Base-Base interactions energy: -749.767 where: short stacking energy: -310.732 Base-Backbone interact. energy: -1.478 local terms energy: -404.410872 where: bonds (distance) C4'-P energy: -91.114 bonds (distance) P-C4' energy: -102.164 flat angles C4'-P-C4' energy: -90.533 flat angles P-C4'-P energy: -62.737 tors. eta vs tors. theta energy: -57.863 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: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -889.761831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.761831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.761831 (E_RNA) where: Base-Base interactions energy: -516.383 where: short stacking energy: -234.373 Base-Backbone interact. energy: -1.316 local terms energy: -372.063201 where: bonds (distance) C4'-P energy: -105.581 bonds (distance) P-C4' energy: -100.236 flat angles C4'-P-C4' energy: -86.646 flat angles P-C4'-P energy: -50.329 tors. eta vs tors. theta energy: -29.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -720.429966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.429966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.429966 (E_RNA) where: Base-Base interactions energy: -391.336 where: short stacking energy: -207.578 Base-Backbone interact. energy: 3.353 local terms energy: -332.446170 where: bonds (distance) C4'-P energy: -92.076 bonds (distance) P-C4' energy: -92.813 flat angles C4'-P-C4' energy: -88.046 flat angles P-C4'-P energy: -36.579 tors. eta vs tors. theta energy: -22.931 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: 4 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -441.461788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.461788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.461788 (E_RNA) where: Base-Base interactions energy: -137.112 where: short stacking energy: -124.186 Base-Backbone interact. energy: 6.127 local terms energy: -310.476236 where: bonds (distance) C4'-P energy: -98.563 bonds (distance) P-C4' energy: -102.882 flat angles C4'-P-C4' energy: -83.140 flat angles P-C4'-P energy: -38.683 tors. eta vs tors. theta energy: 12.793 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: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -590.026646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.026646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.026646 (E_RNA) where: Base-Base interactions energy: -288.578 where: short stacking energy: -184.398 Base-Backbone interact. energy: 1.068 local terms energy: -302.517338 where: bonds (distance) C4'-P energy: -79.114 bonds (distance) P-C4' energy: -95.248 flat angles C4'-P-C4' energy: -79.755 flat angles P-C4'-P energy: -42.655 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: 1, replica: 7 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1886.287306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.287306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.287306 (E_RNA) where: Base-Base interactions energy: -1261.493 where: short stacking energy: -567.509 Base-Backbone interact. energy: -1.757 local terms energy: -623.037367 where: bonds (distance) C4'-P energy: -108.802 bonds (distance) P-C4' energy: -118.353 flat angles C4'-P-C4' energy: -135.184 flat angles P-C4'-P energy: -85.382 tors. eta vs tors. theta energy: -175.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1699.453964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.453964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.453964 (E_RNA) where: Base-Base interactions energy: -1144.726 where: short stacking energy: -499.638 Base-Backbone interact. energy: 0.167 local terms energy: -554.895189 where: bonds (distance) C4'-P energy: -114.044 bonds (distance) P-C4' energy: -115.670 flat angles C4'-P-C4' energy: -127.377 flat angles P-C4'-P energy: -64.004 tors. eta vs tors. theta energy: -133.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1633.775131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.775131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.775131 (E_RNA) where: Base-Base interactions energy: -1074.276 where: short stacking energy: -485.716 Base-Backbone interact. energy: -3.320 local terms energy: -556.179723 where: bonds (distance) C4'-P energy: -111.980 bonds (distance) P-C4' energy: -115.849 flat angles C4'-P-C4' energy: -105.941 flat angles P-C4'-P energy: -73.712 tors. eta vs tors. theta energy: -148.697 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: 5 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1447.741110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.741110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.741110 (E_RNA) where: Base-Base interactions energy: -951.025 where: short stacking energy: -418.186 Base-Backbone interact. energy: 7.171 local terms energy: -503.887675 where: bonds (distance) C4'-P energy: -102.330 bonds (distance) P-C4' energy: -104.929 flat angles C4'-P-C4' energy: -109.328 flat angles P-C4'-P energy: -71.769 tors. eta vs tors. theta energy: -115.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1412.569353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.569353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.569353 (E_RNA) where: Base-Base interactions energy: -928.615 where: short stacking energy: -387.199 Base-Backbone interact. energy: 2.278 local terms energy: -486.231830 where: bonds (distance) C4'-P energy: -105.496 bonds (distance) P-C4' energy: -103.850 flat angles C4'-P-C4' energy: -101.711 flat angles P-C4'-P energy: -65.337 tors. eta vs tors. theta energy: -109.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1180.091979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.091979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.091979 (E_RNA) where: Base-Base interactions energy: -750.950 where: short stacking energy: -314.062 Base-Backbone interact. energy: -3.572 local terms energy: -425.569644 where: bonds (distance) C4'-P energy: -102.360 bonds (distance) P-C4' energy: -100.732 flat angles C4'-P-C4' energy: -87.638 flat angles P-C4'-P energy: -59.577 tors. eta vs tors. theta energy: -75.263 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: 7, replica: 10 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -903.850794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.850794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.850794 (E_RNA) where: Base-Base interactions energy: -548.355 where: short stacking energy: -297.314 Base-Backbone interact. energy: 7.034 local terms energy: -362.530279 where: bonds (distance) C4'-P energy: -93.656 bonds (distance) P-C4' energy: -98.294 flat angles C4'-P-C4' energy: -81.792 flat angles P-C4'-P energy: -49.617 tors. eta vs tors. theta energy: -39.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -703.283631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.283631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.283631 (E_RNA) where: Base-Base interactions energy: -365.355 where: short stacking energy: -191.068 Base-Backbone interact. energy: -2.193 local terms energy: -335.735110 where: bonds (distance) C4'-P energy: -90.040 bonds (distance) P-C4' energy: -104.137 flat angles C4'-P-C4' energy: -90.106 flat angles P-C4'-P energy: -51.030 tors. eta vs tors. theta energy: -0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -460.228964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.228964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.228964 (E_RNA) where: Base-Base interactions energy: -165.347 where: short stacking energy: -134.937 Base-Backbone interact. energy: 5.058 local terms energy: -299.940135 where: bonds (distance) C4'-P energy: -86.730 bonds (distance) P-C4' energy: -113.020 flat angles C4'-P-C4' energy: -82.936 flat angles P-C4'-P energy: -45.795 tors. eta vs tors. theta energy: 28.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -586.019965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.019965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.019965 (E_RNA) where: Base-Base interactions energy: -280.382 where: short stacking energy: -189.893 Base-Backbone interact. energy: -2.085 local terms energy: -303.552922 where: bonds (distance) C4'-P energy: -90.676 bonds (distance) P-C4' energy: -101.668 flat angles C4'-P-C4' energy: -81.824 flat angles P-C4'-P energy: -31.253 tors. eta vs tors. theta energy: 1.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1881.644330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.644330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.644330 (E_RNA) where: Base-Base interactions energy: -1259.198 where: short stacking energy: -561.818 Base-Backbone interact. energy: -1.610 local terms energy: -620.836253 where: bonds (distance) C4'-P energy: -116.299 bonds (distance) P-C4' energy: -114.493 flat angles C4'-P-C4' energy: -131.446 flat angles P-C4'-P energy: -81.575 tors. eta vs tors. theta energy: -177.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1678.424073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.424073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.424073 (E_RNA) where: Base-Base interactions energy: -1130.242 where: short stacking energy: -482.756 Base-Backbone interact. energy: 0.564 local terms energy: -548.745644 where: bonds (distance) C4'-P energy: -101.352 bonds (distance) P-C4' energy: -116.311 flat angles C4'-P-C4' energy: -124.676 flat angles P-C4'-P energy: -66.690 tors. eta vs tors. theta energy: -139.717 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: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1605.257346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.257346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.257346 (E_RNA) where: Base-Base interactions energy: -1080.873 where: short stacking energy: -467.471 Base-Backbone interact. energy: -2.773 local terms energy: -521.610641 where: bonds (distance) C4'-P energy: -92.028 bonds (distance) P-C4' energy: -92.273 flat angles C4'-P-C4' energy: -117.997 flat angles P-C4'-P energy: -76.707 tors. eta vs tors. theta energy: -142.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1456.493118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.493118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.493118 (E_RNA) where: Base-Base interactions energy: -966.888 where: short stacking energy: -407.767 Base-Backbone interact. energy: -1.508 local terms energy: -488.096360 where: bonds (distance) C4'-P energy: -80.853 bonds (distance) P-C4' energy: -108.919 flat angles C4'-P-C4' energy: -112.405 flat angles P-C4'-P energy: -67.399 tors. eta vs tors. theta energy: -118.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1419.947983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.947983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.947983 (E_RNA) where: Base-Base interactions energy: -931.439 where: short stacking energy: -396.264 Base-Backbone interact. energy: -1.010 local terms energy: -487.498972 where: bonds (distance) C4'-P energy: -102.155 bonds (distance) P-C4' energy: -103.621 flat angles C4'-P-C4' energy: -99.892 flat angles P-C4'-P energy: -62.180 tors. eta vs tors. theta energy: -119.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1242.161599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.161599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.161599 (E_RNA) where: Base-Base interactions energy: -792.701 where: short stacking energy: -357.430 Base-Backbone interact. energy: 1.330 local terms energy: -450.791088 where: bonds (distance) C4'-P energy: -91.479 bonds (distance) P-C4' energy: -111.982 flat angles C4'-P-C4' energy: -103.270 flat angles P-C4'-P energy: -54.503 tors. eta vs tors. theta energy: -89.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -927.286530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.286530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.286530 (E_RNA) where: Base-Base interactions energy: -537.237 where: short stacking energy: -273.966 Base-Backbone interact. energy: 0.964 local terms energy: -391.013937 where: bonds (distance) C4'-P energy: -84.075 bonds (distance) P-C4' energy: -89.966 flat angles C4'-P-C4' energy: -103.615 flat angles P-C4'-P energy: -52.478 tors. eta vs tors. theta energy: -60.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -683.091184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.091184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.091184 (E_RNA) where: Base-Base interactions energy: -349.664 where: short stacking energy: -190.819 Base-Backbone interact. energy: -5.004 local terms energy: -328.423464 where: bonds (distance) C4'-P energy: -90.222 bonds (distance) P-C4' energy: -99.301 flat angles C4'-P-C4' energy: -88.162 flat angles P-C4'-P energy: -45.837 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -600.394830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.394830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.394830 (E_RNA) where: Base-Base interactions energy: -281.235 where: short stacking energy: -158.670 Base-Backbone interact. energy: -1.681 local terms energy: -317.479183 where: bonds (distance) C4'-P energy: -96.195 bonds (distance) P-C4' energy: -83.199 flat angles C4'-P-C4' energy: -84.083 flat angles P-C4'-P energy: -48.932 tors. eta vs tors. theta energy: -5.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -431.744676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.744676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.744676 (E_RNA) where: Base-Base interactions energy: -164.906 where: short stacking energy: -120.806 Base-Backbone interact. energy: 7.516 local terms energy: -274.354711 where: bonds (distance) C4'-P energy: -91.519 bonds (distance) P-C4' energy: -96.802 flat angles C4'-P-C4' energy: -72.343 flat angles P-C4'-P energy: -34.433 tors. eta vs tors. theta energy: 20.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1865.487229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.487229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.487229 (E_RNA) where: Base-Base interactions energy: -1268.632 where: short stacking energy: -557.317 Base-Backbone interact. energy: -0.938 local terms energy: -595.917354 where: bonds (distance) C4'-P energy: -107.411 bonds (distance) P-C4' energy: -111.477 flat angles C4'-P-C4' energy: -125.926 flat angles P-C4'-P energy: -85.847 tors. eta vs tors. theta energy: -165.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1659.707027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.707027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.707027 (E_RNA) where: Base-Base interactions energy: -1103.256 where: short stacking energy: -461.507 Base-Backbone interact. energy: -0.124 local terms energy: -556.326476 where: bonds (distance) C4'-P energy: -105.684 bonds (distance) P-C4' energy: -100.514 flat angles C4'-P-C4' energy: -131.536 flat angles P-C4'-P energy: -83.025 tors. eta vs tors. theta energy: -135.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1599.761444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.761444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.761444 (E_RNA) where: Base-Base interactions energy: -1059.341 where: short stacking energy: -472.141 Base-Backbone interact. energy: -1.189 local terms energy: -539.231384 where: bonds (distance) C4'-P energy: -92.675 bonds (distance) P-C4' energy: -111.539 flat angles C4'-P-C4' energy: -128.230 flat angles P-C4'-P energy: -60.977 tors. eta vs tors. theta energy: -145.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1474.369831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.369831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.369831 (E_RNA) where: Base-Base interactions energy: -972.688 where: short stacking energy: -426.504 Base-Backbone interact. energy: 2.982 local terms energy: -504.663794 where: bonds (distance) C4'-P energy: -91.917 bonds (distance) P-C4' energy: -100.214 flat angles C4'-P-C4' energy: -111.960 flat angles P-C4'-P energy: -79.775 tors. eta vs tors. theta energy: -120.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1432.532431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.532431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.532431 (E_RNA) where: Base-Base interactions energy: -961.360 where: short stacking energy: -420.808 Base-Backbone interact. energy: 1.055 local terms energy: -472.227465 where: bonds (distance) C4'-P energy: -82.371 bonds (distance) P-C4' energy: -98.320 flat angles C4'-P-C4' energy: -104.861 flat angles P-C4'-P energy: -65.778 tors. eta vs tors. theta energy: -120.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1215.477051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.477051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.477051 (E_RNA) where: Base-Base interactions energy: -779.617 where: short stacking energy: -343.854 Base-Backbone interact. energy: -1.039 local terms energy: -434.820686 where: bonds (distance) C4'-P energy: -90.993 bonds (distance) P-C4' energy: -102.317 flat angles C4'-P-C4' energy: -110.199 flat angles P-C4'-P energy: -50.980 tors. eta vs tors. theta energy: -80.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -954.390503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.390503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.390503 (E_RNA) where: Base-Base interactions energy: -540.653 where: short stacking energy: -289.993 Base-Backbone interact. energy: -1.275 local terms energy: -412.462520 where: bonds (distance) C4'-P energy: -84.627 bonds (distance) P-C4' energy: -104.256 flat angles C4'-P-C4' energy: -78.396 flat angles P-C4'-P energy: -67.022 tors. eta vs tors. theta energy: -78.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -749.904633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.904633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.904633 (E_RNA) where: Base-Base interactions energy: -372.870 where: short stacking energy: -210.578 Base-Backbone interact. energy: 0.210 local terms energy: -377.244919 where: bonds (distance) C4'-P energy: -92.870 bonds (distance) P-C4' energy: -109.829 flat angles C4'-P-C4' energy: -108.330 flat angles P-C4'-P energy: -50.229 tors. eta vs tors. theta energy: -15.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -680.946444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.946444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.946444 (E_RNA) where: Base-Base interactions energy: -324.989 where: short stacking energy: -180.739 Base-Backbone interact. energy: 1.186 local terms energy: -357.143643 where: bonds (distance) C4'-P energy: -91.483 bonds (distance) P-C4' energy: -105.723 flat angles C4'-P-C4' energy: -85.083 flat angles P-C4'-P energy: -63.380 tors. eta vs tors. theta energy: -11.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -429.070428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.070428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.070428 (E_RNA) where: Base-Base interactions energy: -141.596 where: short stacking energy: -122.687 Base-Backbone interact. energy: -2.616 local terms energy: -284.858438 where: bonds (distance) C4'-P energy: -88.428 bonds (distance) P-C4' energy: -89.286 flat angles C4'-P-C4' energy: -86.867 flat angles P-C4'-P energy: -30.941 tors. eta vs tors. theta energy: 10.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1884.853884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.853884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.853884 (E_RNA) where: Base-Base interactions energy: -1284.817 where: short stacking energy: -558.677 Base-Backbone interact. energy: -1.338 local terms energy: -598.698943 where: bonds (distance) C4'-P energy: -110.530 bonds (distance) P-C4' energy: -116.663 flat angles C4'-P-C4' energy: -122.231 flat angles P-C4'-P energy: -80.112 tors. eta vs tors. theta energy: -169.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1668.348633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.348633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.348633 (E_RNA) where: Base-Base interactions energy: -1134.033 where: short stacking energy: -484.805 Base-Backbone interact. energy: -1.966 local terms energy: -532.349642 where: bonds (distance) C4'-P energy: -100.840 bonds (distance) P-C4' energy: -105.456 flat angles C4'-P-C4' energy: -121.551 flat angles P-C4'-P energy: -78.809 tors. eta vs tors. theta energy: -125.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1601.455376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.455376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.455376 (E_RNA) where: Base-Base interactions energy: -1054.914 where: short stacking energy: -489.821 Base-Backbone interact. energy: -3.116 local terms energy: -543.425911 where: bonds (distance) C4'-P energy: -107.165 bonds (distance) P-C4' energy: -114.922 flat angles C4'-P-C4' energy: -113.064 flat angles P-C4'-P energy: -67.488 tors. eta vs tors. theta energy: -140.788 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: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1478.909479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.909479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.909479 (E_RNA) where: Base-Base interactions energy: -978.470 where: short stacking energy: -440.055 Base-Backbone interact. energy: -0.316 local terms energy: -500.123736 where: bonds (distance) C4'-P energy: -99.206 bonds (distance) P-C4' energy: -101.366 flat angles C4'-P-C4' energy: -108.424 flat angles P-C4'-P energy: -71.408 tors. eta vs tors. theta energy: -119.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1401.240279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.240279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.240279 (E_RNA) where: Base-Base interactions energy: -919.382 where: short stacking energy: -399.757 Base-Backbone interact. energy: 2.823 local terms energy: -484.681070 where: bonds (distance) C4'-P energy: -95.037 bonds (distance) P-C4' energy: -106.563 flat angles C4'-P-C4' energy: -107.254 flat angles P-C4'-P energy: -75.799 tors. eta vs tors. theta energy: -100.029 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: 6, replica: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1135.052386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.052386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.052386 (E_RNA) where: Base-Base interactions energy: -731.497 where: short stacking energy: -348.038 Base-Backbone interact. energy: 5.798 local terms energy: -409.353370 where: bonds (distance) C4'-P energy: -85.155 bonds (distance) P-C4' energy: -86.616 flat angles C4'-P-C4' energy: -88.501 flat angles P-C4'-P energy: -55.947 tors. eta vs tors. theta energy: -93.134 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: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -923.029240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.029240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.029240 (E_RNA) where: Base-Base interactions energy: -525.482 where: short stacking energy: -229.518 Base-Backbone interact. energy: -1.802 local terms energy: -395.745439 where: bonds (distance) C4'-P energy: -102.418 bonds (distance) P-C4' energy: -109.984 flat angles C4'-P-C4' energy: -98.691 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -32.134 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: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -737.115771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.115771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.115771 (E_RNA) where: Base-Base interactions energy: -390.689 where: short stacking energy: -203.891 Base-Backbone interact. energy: 1.419 local terms energy: -347.845185 where: bonds (distance) C4'-P energy: -85.476 bonds (distance) P-C4' energy: -91.690 flat angles C4'-P-C4' energy: -101.442 flat angles P-C4'-P energy: -50.906 tors. eta vs tors. theta energy: -18.331 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: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -543.550427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.550427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.550427 (E_RNA) where: Base-Base interactions energy: -222.035 where: short stacking energy: -153.932 Base-Backbone interact. energy: -1.344 local terms energy: -320.172273 where: bonds (distance) C4'-P energy: -90.125 bonds (distance) P-C4' energy: -102.114 flat angles C4'-P-C4' energy: -86.990 flat angles P-C4'-P energy: -47.995 tors. eta vs tors. theta energy: 7.052 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: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -412.253935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.253935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.253935 (E_RNA) where: Base-Base interactions energy: -149.864 where: short stacking energy: -115.417 Base-Backbone interact. energy: 2.266 local terms energy: -264.656180 where: bonds (distance) C4'-P energy: -80.047 bonds (distance) P-C4' energy: -105.142 flat angles C4'-P-C4' energy: -74.381 flat angles P-C4'-P energy: -38.072 tors. eta vs tors. theta energy: 32.986 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: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1881.428980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.428980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.428980 (E_RNA) where: Base-Base interactions energy: -1300.073 where: short stacking energy: -573.898 Base-Backbone interact. energy: 0.275 local terms energy: -581.630855 where: bonds (distance) C4'-P energy: -107.517 bonds (distance) P-C4' energy: -101.250 flat angles C4'-P-C4' energy: -121.471 flat angles P-C4'-P energy: -84.149 tors. eta vs tors. theta energy: -167.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1652.193488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.193488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.193488 (E_RNA) where: Base-Base interactions energy: -1084.837 where: short stacking energy: -510.032 Base-Backbone interact. energy: -0.549 local terms energy: -566.807647 where: bonds (distance) C4'-P energy: -117.414 bonds (distance) P-C4' energy: -107.455 flat angles C4'-P-C4' energy: -123.270 flat angles P-C4'-P energy: -74.026 tors. eta vs tors. theta energy: -144.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1625.093218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.093218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.093218 (E_RNA) where: Base-Base interactions energy: -1108.929 where: short stacking energy: -462.731 Base-Backbone interact. energy: -1.669 local terms energy: -514.494284 where: bonds (distance) C4'-P energy: -101.707 bonds (distance) P-C4' energy: -103.299 flat angles C4'-P-C4' energy: -119.027 flat angles P-C4'-P energy: -57.349 tors. eta vs tors. theta energy: -133.113 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: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1437.269517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.269517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.269517 (E_RNA) where: Base-Base interactions energy: -912.420 where: short stacking energy: -419.779 Base-Backbone interact. energy: -1.956 local terms energy: -522.894077 where: bonds (distance) C4'-P energy: -111.609 bonds (distance) P-C4' energy: -99.198 flat angles C4'-P-C4' energy: -124.742 flat angles P-C4'-P energy: -73.286 tors. eta vs tors. theta energy: -114.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1439.363749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.363749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.363749 (E_RNA) where: Base-Base interactions energy: -946.037 where: short stacking energy: -427.485 Base-Backbone interact. energy: 1.718 local terms energy: -495.045545 where: bonds (distance) C4'-P energy: -101.790 bonds (distance) P-C4' energy: -92.269 flat angles C4'-P-C4' energy: -122.049 flat angles P-C4'-P energy: -62.501 tors. eta vs tors. theta energy: -116.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1268.365939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.365939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.365939 (E_RNA) where: Base-Base interactions energy: -811.027 where: short stacking energy: -400.494 Base-Backbone interact. energy: -2.340 local terms energy: -454.999164 where: bonds (distance) C4'-P energy: -98.910 bonds (distance) P-C4' energy: -88.653 flat angles C4'-P-C4' energy: -117.080 flat angles P-C4'-P energy: -55.086 tors. eta vs tors. theta energy: -95.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -835.785652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.785652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.785652 (E_RNA) where: Base-Base interactions energy: -481.111 where: short stacking energy: -250.071 Base-Backbone interact. energy: -2.131 local terms energy: -352.544013 where: bonds (distance) C4'-P energy: -95.047 bonds (distance) P-C4' energy: -100.261 flat angles C4'-P-C4' energy: -96.982 flat angles P-C4'-P energy: -45.348 tors. eta vs tors. theta energy: -14.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -663.987079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.987079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.987079 (E_RNA) where: Base-Base interactions energy: -325.590 where: short stacking energy: -178.628 Base-Backbone interact. energy: -2.647 local terms energy: -335.750338 where: bonds (distance) C4'-P energy: -79.908 bonds (distance) P-C4' energy: -102.139 flat angles C4'-P-C4' energy: -86.083 flat angles P-C4'-P energy: -55.932 tors. eta vs tors. theta energy: -11.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -538.301697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.301697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.301697 (E_RNA) where: Base-Base interactions energy: -227.889 where: short stacking energy: -142.547 Base-Backbone interact. energy: -3.605 local terms energy: -306.807772 where: bonds (distance) C4'-P energy: -79.895 bonds (distance) P-C4' energy: -92.058 flat angles C4'-P-C4' energy: -94.900 flat angles P-C4'-P energy: -52.360 tors. eta vs tors. theta energy: 12.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -420.737791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.737791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.737791 (E_RNA) where: Base-Base interactions energy: -133.044 where: short stacking energy: -118.183 Base-Backbone interact. energy: -1.183 local terms energy: -286.510670 where: bonds (distance) C4'-P energy: -82.077 bonds (distance) P-C4' energy: -96.739 flat angles C4'-P-C4' energy: -89.545 flat angles P-C4'-P energy: -45.106 tors. eta vs tors. theta energy: 26.956 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: 190 Temperature: 0.900000 Total energy: -1880.710295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.710295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.710295 (E_RNA) where: Base-Base interactions energy: -1304.893 where: short stacking energy: -554.668 Base-Backbone interact. energy: -0.853 local terms energy: -574.964123 where: bonds (distance) C4'-P energy: -100.981 bonds (distance) P-C4' energy: -102.100 flat angles C4'-P-C4' energy: -133.198 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: -165.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1640.627988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.627988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.627988 (E_RNA) where: Base-Base interactions energy: -1099.551 where: short stacking energy: -484.533 Base-Backbone interact. energy: 0.178 local terms energy: -541.254226 where: bonds (distance) C4'-P energy: -109.826 bonds (distance) P-C4' energy: -101.923 flat angles C4'-P-C4' energy: -115.362 flat angles P-C4'-P energy: -77.787 tors. eta vs tors. theta energy: -136.356 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: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1616.226999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.226999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.226999 (E_RNA) where: Base-Base interactions energy: -1087.618 where: short stacking energy: -473.309 Base-Backbone interact. energy: -0.392 local terms energy: -528.217215 where: bonds (distance) C4'-P energy: -94.870 bonds (distance) P-C4' energy: -107.350 flat angles C4'-P-C4' energy: -108.680 flat angles P-C4'-P energy: -82.533 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: 4, replica: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1432.480564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.480564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.480564 (E_RNA) where: Base-Base interactions energy: -933.768 where: short stacking energy: -388.247 Base-Backbone interact. energy: -2.535 local terms energy: -496.178188 where: bonds (distance) C4'-P energy: -99.609 bonds (distance) P-C4' energy: -108.401 flat angles C4'-P-C4' energy: -108.223 flat angles P-C4'-P energy: -68.545 tors. eta vs tors. theta energy: -111.401 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: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1433.672804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.672804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.672804 (E_RNA) where: Base-Base interactions energy: -941.024 where: short stacking energy: -406.136 Base-Backbone interact. energy: -0.942 local terms energy: -491.706789 where: bonds (distance) C4'-P energy: -102.824 bonds (distance) P-C4' energy: -103.824 flat angles C4'-P-C4' energy: -112.457 flat angles P-C4'-P energy: -53.574 tors. eta vs tors. theta energy: -119.029 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: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1241.725047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.725047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.725047 (E_RNA) where: Base-Base interactions energy: -781.034 where: short stacking energy: -376.325 Base-Backbone interact. energy: 1.882 local terms energy: -462.573145 where: bonds (distance) C4'-P energy: -104.004 bonds (distance) P-C4' energy: -97.982 flat angles C4'-P-C4' energy: -106.455 flat angles P-C4'-P energy: -60.690 tors. eta vs tors. theta energy: -93.442 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: 190 Temperature: 1.200000 Total energy: -889.249139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.249139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.249139 (E_RNA) where: Base-Base interactions energy: -499.191 where: short stacking energy: -262.058 Base-Backbone interact. energy: 0.078 local terms energy: -390.136244 where: bonds (distance) C4'-P energy: -86.674 bonds (distance) P-C4' energy: -95.877 flat angles C4'-P-C4' energy: -107.898 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: -44.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -659.697289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.697289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.697289 (E_RNA) where: Base-Base interactions energy: -322.498 where: short stacking energy: -192.017 Base-Backbone interact. energy: -2.790 local terms energy: -334.408988 where: bonds (distance) C4'-P energy: -92.146 bonds (distance) P-C4' energy: -99.671 flat angles C4'-P-C4' energy: -78.639 flat angles P-C4'-P energy: -56.427 tors. eta vs tors. theta energy: -7.525 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: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -587.020800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.020800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.020800 (E_RNA) where: Base-Base interactions energy: -272.626 where: short stacking energy: -166.539 Base-Backbone interact. energy: -1.400 local terms energy: -312.994498 where: bonds (distance) C4'-P energy: -88.355 bonds (distance) P-C4' energy: -98.051 flat angles C4'-P-C4' energy: -87.419 flat angles P-C4'-P energy: -42.100 tors. eta vs tors. theta energy: 2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -418.163517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.163517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.163517 (E_RNA) where: Base-Base interactions energy: -135.405 where: short stacking energy: -108.016 Base-Backbone interact. energy: -2.332 local terms energy: -280.426333 where: bonds (distance) C4'-P energy: -100.373 bonds (distance) P-C4' energy: -93.069 flat angles C4'-P-C4' energy: -66.609 flat angles P-C4'-P energy: -45.635 tors. eta vs tors. theta energy: 25.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1900.311349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.311349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.311349 (E_RNA) where: Base-Base interactions energy: -1286.219 where: short stacking energy: -549.111 Base-Backbone interact. energy: -1.399 local terms energy: -612.693797 where: bonds (distance) C4'-P energy: -119.762 bonds (distance) P-C4' energy: -120.804 flat angles C4'-P-C4' energy: -126.998 flat angles P-C4'-P energy: -80.394 tors. eta vs tors. theta energy: -164.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1647.282078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.282078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.282078 (E_RNA) where: Base-Base interactions energy: -1083.529 where: short stacking energy: -487.549 Base-Backbone interact. energy: -2.032 local terms energy: -561.720500 where: bonds (distance) C4'-P energy: -116.051 bonds (distance) P-C4' energy: -124.338 flat angles C4'-P-C4' energy: -120.044 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: -133.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1612.279030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.279030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.279030 (E_RNA) where: Base-Base interactions energy: -1102.443 where: short stacking energy: -462.487 Base-Backbone interact. energy: -2.255 local terms energy: -507.580778 where: bonds (distance) C4'-P energy: -93.624 bonds (distance) P-C4' energy: -107.950 flat angles C4'-P-C4' energy: -105.699 flat angles P-C4'-P energy: -70.801 tors. eta vs tors. theta energy: -129.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1464.208302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.208302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.208302 (E_RNA) where: Base-Base interactions energy: -995.931 where: short stacking energy: -432.536 Base-Backbone interact. energy: -1.694 local terms energy: -466.582452 where: bonds (distance) C4'-P energy: -83.095 bonds (distance) P-C4' energy: -103.893 flat angles C4'-P-C4' energy: -105.131 flat angles P-C4'-P energy: -65.752 tors. eta vs tors. theta energy: -108.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1448.364440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.364440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.364440 (E_RNA) where: Base-Base interactions energy: -926.402 where: short stacking energy: -412.394 Base-Backbone interact. energy: -0.906 local terms energy: -521.056832 where: bonds (distance) C4'-P energy: -111.896 bonds (distance) P-C4' energy: -102.213 flat angles C4'-P-C4' energy: -112.723 flat angles P-C4'-P energy: -72.979 tors. eta vs tors. theta energy: -121.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1162.342895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.342895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.342895 (E_RNA) where: Base-Base interactions energy: -734.551 where: short stacking energy: -332.646 Base-Backbone interact. energy: 0.977 local terms energy: -428.769519 where: bonds (distance) C4'-P energy: -89.799 bonds (distance) P-C4' energy: -98.492 flat angles C4'-P-C4' energy: -98.266 flat angles P-C4'-P energy: -61.149 tors. eta vs tors. theta energy: -81.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -917.973264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.973264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.973264 (E_RNA) where: Base-Base interactions energy: -519.899 where: short stacking energy: -272.825 Base-Backbone interact. energy: 0.546 local terms energy: -398.620126 where: bonds (distance) C4'-P energy: -88.381 bonds (distance) P-C4' energy: -100.902 flat angles C4'-P-C4' energy: -97.365 flat angles P-C4'-P energy: -64.423 tors. eta vs tors. theta energy: -47.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -648.897712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.897712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.897712 (E_RNA) where: Base-Base interactions energy: -320.989 where: short stacking energy: -210.749 Base-Backbone interact. energy: -2.091 local terms energy: -325.817317 where: bonds (distance) C4'-P energy: -81.361 bonds (distance) P-C4' energy: -89.833 flat angles C4'-P-C4' energy: -79.434 flat angles P-C4'-P energy: -54.644 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: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -592.353484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.353484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.353484 (E_RNA) where: Base-Base interactions energy: -255.889 where: short stacking energy: -175.425 Base-Backbone interact. energy: 0.473 local terms energy: -336.938159 where: bonds (distance) C4'-P energy: -87.780 bonds (distance) P-C4' energy: -95.362 flat angles C4'-P-C4' energy: -79.734 flat angles P-C4'-P energy: -60.877 tors. eta vs tors. theta energy: -13.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -448.506463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.506463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.506463 (E_RNA) where: Base-Base interactions energy: -140.282 where: short stacking energy: -112.362 Base-Backbone interact. energy: -2.696 local terms energy: -305.528478 where: bonds (distance) C4'-P energy: -94.179 bonds (distance) P-C4' energy: -98.147 flat angles C4'-P-C4' energy: -79.785 flat angles P-C4'-P energy: -43.333 tors. eta vs tors. theta energy: 9.915 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: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1877.764389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.764389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.764389 (E_RNA) where: Base-Base interactions energy: -1282.684 where: short stacking energy: -552.847 Base-Backbone interact. energy: 0.756 local terms energy: -595.836864 where: bonds (distance) C4'-P energy: -115.098 bonds (distance) P-C4' energy: -102.245 flat angles C4'-P-C4' energy: -127.520 flat angles P-C4'-P energy: -83.189 tors. eta vs tors. theta energy: -167.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1644.795776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.795776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.795776 (E_RNA) where: Base-Base interactions energy: -1070.879 where: short stacking energy: -485.289 Base-Backbone interact. energy: -2.083 local terms energy: -571.834345 where: bonds (distance) C4'-P energy: -99.373 bonds (distance) P-C4' energy: -118.372 flat angles C4'-P-C4' energy: -126.920 flat angles P-C4'-P energy: -84.930 tors. eta vs tors. theta energy: -142.238 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: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1595.706729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.706729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.706729 (E_RNA) where: Base-Base interactions energy: -1079.179 where: short stacking energy: -477.465 Base-Backbone interact. energy: 0.935 local terms energy: -517.461975 where: bonds (distance) C4'-P energy: -103.211 bonds (distance) P-C4' energy: -108.863 flat angles C4'-P-C4' energy: -114.610 flat angles P-C4'-P energy: -69.563 tors. eta vs tors. theta energy: -121.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1462.111778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.111778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.111778 (E_RNA) where: Base-Base interactions energy: -972.559 where: short stacking energy: -416.642 Base-Backbone interact. energy: 0.077 local terms energy: -489.630096 where: bonds (distance) C4'-P energy: -95.732 bonds (distance) P-C4' energy: -96.233 flat angles C4'-P-C4' energy: -111.169 flat angles P-C4'-P energy: -74.725 tors. eta vs tors. theta energy: -111.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1432.201577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.201577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.201577 (E_RNA) where: Base-Base interactions energy: -928.652 where: short stacking energy: -398.740 Base-Backbone interact. energy: 5.675 local terms energy: -509.224564 where: bonds (distance) C4'-P energy: -103.196 bonds (distance) P-C4' energy: -112.861 flat angles C4'-P-C4' energy: -105.650 flat angles P-C4'-P energy: -75.728 tors. eta vs tors. theta energy: -111.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1156.635639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.635639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.635639 (E_RNA) where: Base-Base interactions energy: -753.747 where: short stacking energy: -326.164 Base-Backbone interact. energy: 1.710 local terms energy: -404.598867 where: bonds (distance) C4'-P energy: -88.421 bonds (distance) P-C4' energy: -91.798 flat angles C4'-P-C4' energy: -99.309 flat angles P-C4'-P energy: -64.081 tors. eta vs tors. theta energy: -60.990 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: 192 Temperature: 1.200000 Total energy: -905.077485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.077485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.077485 (E_RNA) where: Base-Base interactions energy: -508.537 where: short stacking energy: -235.785 Base-Backbone interact. energy: -1.147 local terms energy: -395.393070 where: bonds (distance) C4'-P energy: -98.994 bonds (distance) P-C4' energy: -89.275 flat angles C4'-P-C4' energy: -89.845 flat angles P-C4'-P energy: -78.041 tors. eta vs tors. theta energy: -39.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -690.691954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.691954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.691954 (E_RNA) where: Base-Base interactions energy: -327.450 where: short stacking energy: -234.736 Base-Backbone interact. energy: 0.019 local terms energy: -363.261035 where: bonds (distance) C4'-P energy: -89.126 bonds (distance) P-C4' energy: -110.620 flat angles C4'-P-C4' energy: -97.643 flat angles P-C4'-P energy: -48.853 tors. eta vs tors. theta energy: -17.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -556.546904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.546904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.546904 (E_RNA) where: Base-Base interactions energy: -258.991 where: short stacking energy: -170.231 Base-Backbone interact. energy: 0.438 local terms energy: -297.994050 where: bonds (distance) C4'-P energy: -67.081 bonds (distance) P-C4' energy: -110.026 flat angles C4'-P-C4' energy: -72.591 flat angles P-C4'-P energy: -42.790 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -431.369986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.369986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.369986 (E_RNA) where: Base-Base interactions energy: -140.083 where: short stacking energy: -115.604 Base-Backbone interact. energy: -0.701 local terms energy: -290.585661 where: bonds (distance) C4'-P energy: -82.220 bonds (distance) P-C4' energy: -94.340 flat angles C4'-P-C4' energy: -82.479 flat angles P-C4'-P energy: -60.712 tors. eta vs tors. theta energy: 29.166 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: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1878.563895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.563895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.563895 (E_RNA) where: Base-Base interactions energy: -1276.396 where: short stacking energy: -560.892 Base-Backbone interact. energy: 0.817 local terms energy: -602.984011 where: bonds (distance) C4'-P energy: -102.660 bonds (distance) P-C4' energy: -118.960 flat angles C4'-P-C4' energy: -125.665 flat angles P-C4'-P energy: -85.879 tors. eta vs tors. theta energy: -169.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1632.700543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.700543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.700543 (E_RNA) where: Base-Base interactions energy: -1053.943 where: short stacking energy: -478.137 Base-Backbone interact. energy: -1.410 local terms energy: -577.348479 where: bonds (distance) C4'-P energy: -102.952 bonds (distance) P-C4' energy: -123.487 flat angles C4'-P-C4' energy: -117.523 flat angles P-C4'-P energy: -86.264 tors. eta vs tors. theta energy: -147.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1637.652626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.652626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.652626 (E_RNA) where: Base-Base interactions energy: -1111.748 where: short stacking energy: -484.582 Base-Backbone interact. energy: 7.260 local terms energy: -533.164150 where: bonds (distance) C4'-P energy: -98.575 bonds (distance) P-C4' energy: -116.086 flat angles C4'-P-C4' energy: -119.832 flat angles P-C4'-P energy: -69.247 tors. eta vs tors. theta energy: -129.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1471.408409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.408409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.408409 (E_RNA) where: Base-Base interactions energy: -985.426 where: short stacking energy: -437.945 Base-Backbone interact. energy: 0.757 local terms energy: -486.739102 where: bonds (distance) C4'-P energy: -82.215 bonds (distance) P-C4' energy: -103.709 flat angles C4'-P-C4' energy: -102.433 flat angles P-C4'-P energy: -74.884 tors. eta vs tors. theta energy: -123.497 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: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1455.538160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.538160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.538160 (E_RNA) where: Base-Base interactions energy: -963.785 where: short stacking energy: -427.415 Base-Backbone interact. energy: -1.853 local terms energy: -489.900342 where: bonds (distance) C4'-P energy: -104.208 bonds (distance) P-C4' energy: -98.047 flat angles C4'-P-C4' energy: -112.377 flat angles P-C4'-P energy: -64.767 tors. eta vs tors. theta energy: -110.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1185.990869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.990869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.990869 (E_RNA) where: Base-Base interactions energy: -755.653 where: short stacking energy: -349.489 Base-Backbone interact. energy: -1.796 local terms energy: -428.542359 where: bonds (distance) C4'-P energy: -93.609 bonds (distance) P-C4' energy: -91.612 flat angles C4'-P-C4' energy: -106.573 flat angles P-C4'-P energy: -58.600 tors. eta vs tors. theta energy: -78.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -921.206461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.206461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.206461 (E_RNA) where: Base-Base interactions energy: -523.023 where: short stacking energy: -266.284 Base-Backbone interact. energy: -3.127 local terms energy: -395.056746 where: bonds (distance) C4'-P energy: -79.939 bonds (distance) P-C4' energy: -97.373 flat angles C4'-P-C4' energy: -104.016 flat angles P-C4'-P energy: -66.168 tors. eta vs tors. theta energy: -47.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -642.650340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.650340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.650340 (E_RNA) where: Base-Base interactions energy: -305.306 where: short stacking energy: -186.196 Base-Backbone interact. energy: -2.733 local terms energy: -334.610885 where: bonds (distance) C4'-P energy: -101.692 bonds (distance) P-C4' energy: -98.452 flat angles C4'-P-C4' energy: -75.339 flat angles P-C4'-P energy: -43.200 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: 9, replica: 8 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -597.137834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.137834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.137834 (E_RNA) where: Base-Base interactions energy: -280.877 where: short stacking energy: -166.199 Base-Backbone interact. energy: 0.680 local terms energy: -316.940988 where: bonds (distance) C4'-P energy: -99.622 bonds (distance) P-C4' energy: -91.093 flat angles C4'-P-C4' energy: -69.513 flat angles P-C4'-P energy: -51.452 tors. eta vs tors. theta energy: -5.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -405.643099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.643099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.643099 (E_RNA) where: Base-Base interactions energy: -123.057 where: short stacking energy: -100.063 Base-Backbone interact. energy: -1.852 local terms energy: -280.734435 where: bonds (distance) C4'-P energy: -101.089 bonds (distance) P-C4' energy: -103.547 flat angles C4'-P-C4' energy: -77.693 flat angles P-C4'-P energy: -25.926 tors. eta vs tors. theta energy: 27.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1893.176225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.176225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.176225 (E_RNA) where: Base-Base interactions energy: -1274.596 where: short stacking energy: -560.756 Base-Backbone interact. energy: 0.753 local terms energy: -619.333214 where: bonds (distance) C4'-P energy: -119.626 bonds (distance) P-C4' energy: -118.654 flat angles C4'-P-C4' energy: -131.708 flat angles P-C4'-P energy: -84.657 tors. eta vs tors. theta energy: -164.688 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: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1623.004530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.004530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.004530 (E_RNA) where: Base-Base interactions energy: -1061.020 where: short stacking energy: -482.428 Base-Backbone interact. energy: -2.683 local terms energy: -559.301614 where: bonds (distance) C4'-P energy: -104.727 bonds (distance) P-C4' energy: -111.053 flat angles C4'-P-C4' energy: -125.758 flat angles P-C4'-P energy: -76.331 tors. eta vs tors. theta energy: -141.433 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: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1621.271337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.271337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.271337 (E_RNA) where: Base-Base interactions energy: -1092.842 where: short stacking energy: -466.973 Base-Backbone interact. energy: 3.604 local terms energy: -532.032916 where: bonds (distance) C4'-P energy: -112.536 bonds (distance) P-C4' energy: -115.474 flat angles C4'-P-C4' energy: -116.973 flat angles P-C4'-P energy: -70.815 tors. eta vs tors. theta energy: -116.236 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: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1456.443722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.443722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.443722 (E_RNA) where: Base-Base interactions energy: -941.205 where: short stacking energy: -428.216 Base-Backbone interact. energy: -0.093 local terms energy: -515.145247 where: bonds (distance) C4'-P energy: -109.789 bonds (distance) P-C4' energy: -108.908 flat angles C4'-P-C4' energy: -113.344 flat angles P-C4'-P energy: -69.537 tors. eta vs tors. theta energy: -113.566 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: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1424.673182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.673182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.673182 (E_RNA) where: Base-Base interactions energy: -940.248 where: short stacking energy: -419.401 Base-Backbone interact. energy: 1.961 local terms energy: -486.386514 where: bonds (distance) C4'-P energy: -95.932 bonds (distance) P-C4' energy: -99.584 flat angles C4'-P-C4' energy: -101.044 flat angles P-C4'-P energy: -67.610 tors. eta vs tors. theta energy: -122.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1181.622083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.622083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.622083 (E_RNA) where: Base-Base interactions energy: -764.952 where: short stacking energy: -339.892 Base-Backbone interact. energy: -1.512 local terms energy: -415.157770 where: bonds (distance) C4'-P energy: -94.657 bonds (distance) P-C4' energy: -83.865 flat angles C4'-P-C4' energy: -96.823 flat angles P-C4'-P energy: -57.557 tors. eta vs tors. theta energy: -82.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -910.416976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.416976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.416976 (E_RNA) where: Base-Base interactions energy: -505.249 where: short stacking energy: -255.325 Base-Backbone interact. energy: 1.823 local terms energy: -406.990614 where: bonds (distance) C4'-P energy: -100.306 bonds (distance) P-C4' energy: -104.030 flat angles C4'-P-C4' energy: -95.810 flat angles P-C4'-P energy: -67.124 tors. eta vs tors. theta energy: -39.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -609.207102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.207102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.207102 (E_RNA) where: Base-Base interactions energy: -282.627 where: short stacking energy: -165.419 Base-Backbone interact. energy: -0.156 local terms energy: -326.424689 where: bonds (distance) C4'-P energy: -78.469 bonds (distance) P-C4' energy: -108.862 flat angles C4'-P-C4' energy: -87.698 flat angles P-C4'-P energy: -46.296 tors. eta vs tors. theta energy: -5.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -553.723314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.723314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.723314 (E_RNA) where: Base-Base interactions energy: -261.041 where: short stacking energy: -160.734 Base-Backbone interact. energy: 3.001 local terms energy: -295.683442 where: bonds (distance) C4'-P energy: -98.232 bonds (distance) P-C4' energy: -81.956 flat angles C4'-P-C4' energy: -68.643 flat angles P-C4'-P energy: -44.290 tors. eta vs tors. theta energy: -2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -443.723190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.723190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.723190 (E_RNA) where: Base-Base interactions energy: -157.935 where: short stacking energy: -114.265 Base-Backbone interact. energy: -1.433 local terms energy: -284.355829 where: bonds (distance) C4'-P energy: -89.157 bonds (distance) P-C4' energy: -97.657 flat angles C4'-P-C4' energy: -79.639 flat angles P-C4'-P energy: -45.743 tors. eta vs tors. theta energy: 27.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1880.651137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.651137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.651137 (E_RNA) where: Base-Base interactions energy: -1305.116 where: short stacking energy: -556.166 Base-Backbone interact. energy: -1.223 local terms energy: -574.312092 where: bonds (distance) C4'-P energy: -106.212 bonds (distance) P-C4' energy: -112.936 flat angles C4'-P-C4' energy: -120.544 flat angles P-C4'-P energy: -62.297 tors. eta vs tors. theta energy: -172.323 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: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1674.978029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.978029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.978029 (E_RNA) where: Base-Base interactions energy: -1124.663 where: short stacking energy: -489.331 Base-Backbone interact. energy: -2.324 local terms energy: -547.990503 where: bonds (distance) C4'-P energy: -110.201 bonds (distance) P-C4' energy: -112.144 flat angles C4'-P-C4' energy: -111.880 flat angles P-C4'-P energy: -71.882 tors. eta vs tors. theta energy: -141.884 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: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1546.917746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.917746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.917746 (E_RNA) where: Base-Base interactions energy: -1019.210 where: short stacking energy: -451.644 Base-Backbone interact. energy: -2.110 local terms energy: -525.597502 where: bonds (distance) C4'-P energy: -111.505 bonds (distance) P-C4' energy: -105.777 flat angles C4'-P-C4' energy: -109.540 flat angles P-C4'-P energy: -85.018 tors. eta vs tors. theta energy: -113.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1467.965473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.965473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.965473 (E_RNA) where: Base-Base interactions energy: -970.769 where: short stacking energy: -434.442 Base-Backbone interact. energy: 1.946 local terms energy: -499.142252 where: bonds (distance) C4'-P energy: -95.761 bonds (distance) P-C4' energy: -104.685 flat angles C4'-P-C4' energy: -116.543 flat angles P-C4'-P energy: -68.717 tors. eta vs tors. theta energy: -113.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1407.091126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.091126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.091126 (E_RNA) where: Base-Base interactions energy: -920.923 where: short stacking energy: -395.998 Base-Backbone interact. energy: -2.548 local terms energy: -483.620031 where: bonds (distance) C4'-P energy: -88.949 bonds (distance) P-C4' energy: -98.375 flat angles C4'-P-C4' energy: -119.570 flat angles P-C4'-P energy: -68.490 tors. eta vs tors. theta energy: -108.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1172.475294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.475294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.475294 (E_RNA) where: Base-Base interactions energy: -739.487 where: short stacking energy: -339.967 Base-Backbone interact. energy: -2.388 local terms energy: -430.600470 where: bonds (distance) C4'-P energy: -83.339 bonds (distance) P-C4' energy: -94.902 flat angles C4'-P-C4' energy: -99.697 flat angles P-C4'-P energy: -66.798 tors. eta vs tors. theta energy: -85.864 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: 195 Temperature: 1.200000 Total energy: -823.204832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.204832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.204832 (E_RNA) where: Base-Base interactions energy: -487.917 where: short stacking energy: -231.761 Base-Backbone interact. energy: -2.297 local terms energy: -332.990565 where: bonds (distance) C4'-P energy: -85.549 bonds (distance) P-C4' energy: -98.072 flat angles C4'-P-C4' energy: -77.395 flat angles P-C4'-P energy: -61.978 tors. eta vs tors. theta energy: -9.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -626.169585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.169585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.169585 (E_RNA) where: Base-Base interactions energy: -287.678 where: short stacking energy: -150.890 Base-Backbone interact. energy: -1.916 local terms energy: -336.575737 where: bonds (distance) C4'-P energy: -83.405 bonds (distance) P-C4' energy: -99.770 flat angles C4'-P-C4' energy: -78.253 flat angles P-C4'-P energy: -64.776 tors. eta vs tors. theta energy: -10.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -570.975687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.975687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.975687 (E_RNA) where: Base-Base interactions energy: -282.012 where: short stacking energy: -159.442 Base-Backbone interact. energy: -1.690 local terms energy: -287.273677 where: bonds (distance) C4'-P energy: -71.636 bonds (distance) P-C4' energy: -88.324 flat angles C4'-P-C4' energy: -90.239 flat angles P-C4'-P energy: -55.914 tors. eta vs tors. theta energy: 18.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -401.298093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.298093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.298093 (E_RNA) where: Base-Base interactions energy: -134.107 where: short stacking energy: -123.601 Base-Backbone interact. energy: 0.947 local terms energy: -268.138846 where: bonds (distance) C4'-P energy: -90.045 bonds (distance) P-C4' energy: -84.697 flat angles C4'-P-C4' energy: -82.095 flat angles P-C4'-P energy: -42.721 tors. eta vs tors. theta energy: 31.418 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: 1, replica: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1877.292850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.292850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.292850 (E_RNA) where: Base-Base interactions energy: -1282.398 where: short stacking energy: -550.103 Base-Backbone interact. energy: -1.895 local terms energy: -592.999765 where: bonds (distance) C4'-P energy: -113.720 bonds (distance) P-C4' energy: -119.516 flat angles C4'-P-C4' energy: -127.182 flat angles P-C4'-P energy: -73.632 tors. eta vs tors. theta energy: -158.949 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: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1683.986536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.986536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.986536 (E_RNA) where: Base-Base interactions energy: -1132.848 where: short stacking energy: -491.544 Base-Backbone interact. energy: -1.534 local terms energy: -549.604062 where: bonds (distance) C4'-P energy: -102.353 bonds (distance) P-C4' energy: -115.099 flat angles C4'-P-C4' energy: -120.148 flat angles P-C4'-P energy: -75.402 tors. eta vs tors. theta energy: -136.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1587.906766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.906766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.906766 (E_RNA) where: Base-Base interactions energy: -1056.828 where: short stacking energy: -473.427 Base-Backbone interact. energy: 0.854 local terms energy: -531.932874 where: bonds (distance) C4'-P energy: -99.385 bonds (distance) P-C4' energy: -109.873 flat angles C4'-P-C4' energy: -117.103 flat angles P-C4'-P energy: -73.181 tors. eta vs tors. theta energy: -132.390 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: 196 Temperature: 1.050000 Total energy: -1487.126110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.126110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.126110 (E_RNA) where: Base-Base interactions energy: -986.571 where: short stacking energy: -460.743 Base-Backbone interact. energy: -2.221 local terms energy: -498.333969 where: bonds (distance) C4'-P energy: -92.091 bonds (distance) P-C4' energy: -103.109 flat angles C4'-P-C4' energy: -111.962 flat angles P-C4'-P energy: -67.739 tors. eta vs tors. theta energy: -123.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1431.383480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.383480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.383480 (E_RNA) where: Base-Base interactions energy: -949.738 where: short stacking energy: -407.405 Base-Backbone interact. energy: -0.513 local terms energy: -481.132813 where: bonds (distance) C4'-P energy: -101.614 bonds (distance) P-C4' energy: -100.151 flat angles C4'-P-C4' energy: -103.430 flat angles P-C4'-P energy: -60.736 tors. eta vs tors. theta energy: -115.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1143.016068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.016068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.016068 (E_RNA) where: Base-Base interactions energy: -719.337 where: short stacking energy: -330.426 Base-Backbone interact. energy: 1.394 local terms energy: -425.073586 where: bonds (distance) C4'-P energy: -76.069 bonds (distance) P-C4' energy: -97.102 flat angles C4'-P-C4' energy: -102.448 flat angles P-C4'-P energy: -61.764 tors. eta vs tors. theta energy: -87.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -895.148330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.148330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.148330 (E_RNA) where: Base-Base interactions energy: -511.942 where: short stacking energy: -251.428 Base-Backbone interact. energy: 0.082 local terms energy: -383.288385 where: bonds (distance) C4'-P energy: -93.932 bonds (distance) P-C4' energy: -97.141 flat angles C4'-P-C4' energy: -99.500 flat angles P-C4'-P energy: -51.470 tors. eta vs tors. theta energy: -41.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -647.271151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.271151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.271151 (E_RNA) where: Base-Base interactions energy: -315.244 where: short stacking energy: -219.522 Base-Backbone interact. energy: 1.119 local terms energy: -333.146413 where: bonds (distance) C4'-P energy: -87.241 bonds (distance) P-C4' energy: -103.752 flat angles C4'-P-C4' energy: -72.475 flat angles P-C4'-P energy: -44.184 tors. eta vs tors. theta energy: -25.495 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: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -632.281383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.281383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.281383 (E_RNA) where: Base-Base interactions energy: -321.381 where: short stacking energy: -185.489 Base-Backbone interact. energy: -1.998 local terms energy: -308.902014 where: bonds (distance) C4'-P energy: -76.240 bonds (distance) P-C4' energy: -93.917 flat angles C4'-P-C4' energy: -89.899 flat angles P-C4'-P energy: -54.470 tors. eta vs tors. theta energy: 5.623 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: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -429.635877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.635877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.635877 (E_RNA) where: Base-Base interactions energy: -170.625 where: short stacking energy: -107.655 Base-Backbone interact. energy: 0.656 local terms energy: -259.666834 where: bonds (distance) C4'-P energy: -89.788 bonds (distance) P-C4' energy: -88.868 flat angles C4'-P-C4' energy: -77.964 flat angles P-C4'-P energy: -42.934 tors. eta vs tors. theta energy: 39.887 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: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1888.658111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.658111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.658111 (E_RNA) where: Base-Base interactions energy: -1290.764 where: short stacking energy: -549.693 Base-Backbone interact. energy: -1.986 local terms energy: -595.908000 where: bonds (distance) C4'-P energy: -94.522 bonds (distance) P-C4' energy: -115.236 flat angles C4'-P-C4' energy: -127.187 flat angles P-C4'-P energy: -86.447 tors. eta vs tors. theta energy: -172.515 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: 3 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1667.460095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.460095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.460095 (E_RNA) where: Base-Base interactions energy: -1111.997 where: short stacking energy: -501.417 Base-Backbone interact. energy: -0.752 local terms energy: -554.711448 where: bonds (distance) C4'-P energy: -111.377 bonds (distance) P-C4' energy: -101.036 flat angles C4'-P-C4' energy: -131.852 flat angles P-C4'-P energy: -67.328 tors. eta vs tors. theta energy: -143.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1618.017487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.017487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.017487 (E_RNA) where: Base-Base interactions energy: -1068.433 where: short stacking energy: -472.023 Base-Backbone interact. energy: -2.880 local terms energy: -546.704587 where: bonds (distance) C4'-P energy: -96.080 bonds (distance) P-C4' energy: -123.088 flat angles C4'-P-C4' energy: -123.267 flat angles P-C4'-P energy: -70.285 tors. eta vs tors. theta energy: -133.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1449.298457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.298457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.298457 (E_RNA) where: Base-Base interactions energy: -956.909 where: short stacking energy: -450.225 Base-Backbone interact. energy: -1.765 local terms energy: -490.624246 where: bonds (distance) C4'-P energy: -98.064 bonds (distance) P-C4' energy: -98.397 flat angles C4'-P-C4' energy: -105.797 flat angles P-C4'-P energy: -65.519 tors. eta vs tors. theta energy: -122.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1423.692833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.692833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.692833 (E_RNA) where: Base-Base interactions energy: -923.281 where: short stacking energy: -420.732 Base-Backbone interact. energy: -0.885 local terms energy: -499.526605 where: bonds (distance) C4'-P energy: -106.070 bonds (distance) P-C4' energy: -96.283 flat angles C4'-P-C4' energy: -106.452 flat angles P-C4'-P energy: -72.252 tors. eta vs tors. theta energy: -118.469 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: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1133.647549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.647549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.647549 (E_RNA) where: Base-Base interactions energy: -681.906 where: short stacking energy: -339.998 Base-Backbone interact. energy: 0.044 local terms energy: -451.785724 where: bonds (distance) C4'-P energy: -99.178 bonds (distance) P-C4' energy: -98.223 flat angles C4'-P-C4' energy: -108.641 flat angles P-C4'-P energy: -64.604 tors. eta vs tors. theta energy: -81.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -860.311334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.311334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.311334 (E_RNA) where: Base-Base interactions energy: -509.338 where: short stacking energy: -244.756 Base-Backbone interact. energy: 9.647 local terms energy: -360.619683 where: bonds (distance) C4'-P energy: -97.190 bonds (distance) P-C4' energy: -90.242 flat angles C4'-P-C4' energy: -86.553 flat angles P-C4'-P energy: -66.184 tors. eta vs tors. theta energy: -20.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -621.402928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.402928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.402928 (E_RNA) where: Base-Base interactions energy: -292.882 where: short stacking energy: -166.276 Base-Backbone interact. energy: -0.923 local terms energy: -327.597616 where: bonds (distance) C4'-P energy: -92.520 bonds (distance) P-C4' energy: -76.986 flat angles C4'-P-C4' energy: -86.009 flat angles P-C4'-P energy: -57.888 tors. eta vs tors. theta energy: -14.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -579.398975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.398975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.398975 (E_RNA) where: Base-Base interactions energy: -295.217 where: short stacking energy: -180.311 Base-Backbone interact. energy: 2.797 local terms energy: -286.978990 where: bonds (distance) C4'-P energy: -75.687 bonds (distance) P-C4' energy: -97.193 flat angles C4'-P-C4' energy: -84.117 flat angles P-C4'-P energy: -46.331 tors. eta vs tors. theta energy: 16.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -424.241576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.241576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.241576 (E_RNA) where: Base-Base interactions energy: -130.640 where: short stacking energy: -118.556 Base-Backbone interact. energy: 3.803 local terms energy: -297.405081 where: bonds (distance) C4'-P energy: -90.410 bonds (distance) P-C4' energy: -93.085 flat angles C4'-P-C4' energy: -79.560 flat angles P-C4'-P energy: -53.033 tors. eta vs tors. theta energy: 18.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1910.250049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.250049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.250049 (E_RNA) where: Base-Base interactions energy: -1301.736 where: short stacking energy: -560.772 Base-Backbone interact. energy: -2.571 local terms energy: -605.943132 where: bonds (distance) C4'-P energy: -103.662 bonds (distance) P-C4' energy: -115.184 flat angles C4'-P-C4' energy: -120.332 flat angles P-C4'-P energy: -88.437 tors. eta vs tors. theta energy: -178.328 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: 3 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1672.630685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.630685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.630685 (E_RNA) where: Base-Base interactions energy: -1124.838 where: short stacking energy: -476.832 Base-Backbone interact. energy: -1.585 local terms energy: -546.207801 where: bonds (distance) C4'-P energy: -110.503 bonds (distance) P-C4' energy: -109.048 flat angles C4'-P-C4' energy: -112.700 flat angles P-C4'-P energy: -79.656 tors. eta vs tors. theta energy: -134.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1611.198573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.198573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.198573 (E_RNA) where: Base-Base interactions energy: -1072.274 where: short stacking energy: -462.469 Base-Backbone interact. energy: -0.963 local terms energy: -537.961484 where: bonds (distance) C4'-P energy: -99.526 bonds (distance) P-C4' energy: -111.986 flat angles C4'-P-C4' energy: -112.865 flat angles P-C4'-P energy: -73.449 tors. eta vs tors. theta energy: -140.136 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: 4, replica: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1439.175809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.175809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.175809 (E_RNA) where: Base-Base interactions energy: -933.153 where: short stacking energy: -427.305 Base-Backbone interact. energy: -1.909 local terms energy: -504.114373 where: bonds (distance) C4'-P energy: -115.113 bonds (distance) P-C4' energy: -87.166 flat angles C4'-P-C4' energy: -119.052 flat angles P-C4'-P energy: -71.486 tors. eta vs tors. theta energy: -111.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1451.778497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.778497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.778497 (E_RNA) where: Base-Base interactions energy: -963.228 where: short stacking energy: -416.683 Base-Backbone interact. energy: -0.154 local terms energy: -488.396873 where: bonds (distance) C4'-P energy: -94.511 bonds (distance) P-C4' energy: -105.059 flat angles C4'-P-C4' energy: -117.864 flat angles P-C4'-P energy: -62.388 tors. eta vs tors. theta energy: -108.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1140.052534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.052534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.052534 (E_RNA) where: Base-Base interactions energy: -707.955 where: short stacking energy: -328.602 Base-Backbone interact. energy: 0.733 local terms energy: -432.829845 where: bonds (distance) C4'-P energy: -69.669 bonds (distance) P-C4' energy: -114.288 flat angles C4'-P-C4' energy: -104.808 flat angles P-C4'-P energy: -65.433 tors. eta vs tors. theta energy: -78.631 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: 7, replica: 10 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -857.828682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.828682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.828682 (E_RNA) where: Base-Base interactions energy: -514.309 where: short stacking energy: -263.688 Base-Backbone interact. energy: -2.188 local terms energy: -341.331916 where: bonds (distance) C4'-P energy: -98.984 bonds (distance) P-C4' energy: -85.943 flat angles C4'-P-C4' energy: -74.398 flat angles P-C4'-P energy: -56.264 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: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -641.997667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.997667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.997667 (E_RNA) where: Base-Base interactions energy: -291.371 where: short stacking energy: -173.475 Base-Backbone interact. energy: 3.968 local terms energy: -354.595070 where: bonds (distance) C4'-P energy: -108.665 bonds (distance) P-C4' energy: -88.645 flat angles C4'-P-C4' energy: -82.489 flat angles P-C4'-P energy: -61.264 tors. eta vs tors. theta energy: -13.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -610.560608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.560608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.560608 (E_RNA) where: Base-Base interactions energy: -295.991 where: short stacking energy: -163.970 Base-Backbone interact. energy: 0.827 local terms energy: -315.395917 where: bonds (distance) C4'-P energy: -102.399 bonds (distance) P-C4' energy: -78.182 flat angles C4'-P-C4' energy: -78.481 flat angles P-C4'-P energy: -53.909 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -431.869051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.869051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.869051 (E_RNA) where: Base-Base interactions energy: -168.267 where: short stacking energy: -146.490 Base-Backbone interact. energy: -1.220 local terms energy: -262.382280 where: bonds (distance) C4'-P energy: -87.790 bonds (distance) P-C4' energy: -62.406 flat angles C4'-P-C4' energy: -67.410 flat angles P-C4'-P energy: -40.494 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1900.949039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.949039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.949039 (E_RNA) where: Base-Base interactions energy: -1282.797 where: short stacking energy: -576.526 Base-Backbone interact. energy: -1.157 local terms energy: -616.995185 where: bonds (distance) C4'-P energy: -108.860 bonds (distance) P-C4' energy: -105.388 flat angles C4'-P-C4' energy: -124.357 flat angles P-C4'-P energy: -93.707 tors. eta vs tors. theta energy: -184.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1623.411575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.411575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.411575 (E_RNA) where: Base-Base interactions energy: -1055.406 where: short stacking energy: -485.482 Base-Backbone interact. energy: -3.058 local terms energy: -564.947710 where: bonds (distance) C4'-P energy: -106.741 bonds (distance) P-C4' energy: -116.671 flat angles C4'-P-C4' energy: -118.744 flat angles P-C4'-P energy: -82.347 tors. eta vs tors. theta energy: -140.445 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: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1638.266523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.266523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.266523 (E_RNA) where: Base-Base interactions energy: -1117.371 where: short stacking energy: -486.573 Base-Backbone interact. energy: -0.218 local terms energy: -520.677586 where: bonds (distance) C4'-P energy: -93.522 bonds (distance) P-C4' energy: -101.529 flat angles C4'-P-C4' energy: -118.944 flat angles P-C4'-P energy: -72.269 tors. eta vs tors. theta energy: -134.413 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: 4, replica: 5 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1491.505985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.505985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.505985 (E_RNA) where: Base-Base interactions energy: -979.099 where: short stacking energy: -416.710 Base-Backbone interact. energy: -2.605 local terms energy: -509.802502 where: bonds (distance) C4'-P energy: -93.365 bonds (distance) P-C4' energy: -101.945 flat angles C4'-P-C4' energy: -116.027 flat angles P-C4'-P energy: -81.368 tors. eta vs tors. theta energy: -117.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1397.176141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.176141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.176141 (E_RNA) where: Base-Base interactions energy: -892.742 where: short stacking energy: -403.906 Base-Backbone interact. energy: 1.560 local terms energy: -505.994542 where: bonds (distance) C4'-P energy: -95.306 bonds (distance) P-C4' energy: -111.457 flat angles C4'-P-C4' energy: -121.522 flat angles P-C4'-P energy: -63.964 tors. eta vs tors. theta energy: -113.746 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: 6, replica: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1148.941920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.941920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.941920 (E_RNA) where: Base-Base interactions energy: -697.521 where: short stacking energy: -326.751 Base-Backbone interact. energy: -4.757 local terms energy: -446.663791 where: bonds (distance) C4'-P energy: -98.491 bonds (distance) P-C4' energy: -91.775 flat angles C4'-P-C4' energy: -101.142 flat angles P-C4'-P energy: -71.802 tors. eta vs tors. theta energy: -83.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -859.478486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.478486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.478486 (E_RNA) where: Base-Base interactions energy: -473.857 where: short stacking energy: -254.654 Base-Backbone interact. energy: 1.019 local terms energy: -386.639883 where: bonds (distance) C4'-P energy: -97.206 bonds (distance) P-C4' energy: -101.990 flat angles C4'-P-C4' energy: -88.017 flat angles P-C4'-P energy: -61.878 tors. eta vs tors. theta energy: -37.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -641.982443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.982443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.982443 (E_RNA) where: Base-Base interactions energy: -323.903 where: short stacking energy: -165.645 Base-Backbone interact. energy: 3.532 local terms energy: -321.611943 where: bonds (distance) C4'-P energy: -91.387 bonds (distance) P-C4' energy: -83.890 flat angles C4'-P-C4' energy: -96.952 flat angles P-C4'-P energy: -56.823 tors. eta vs tors. theta energy: 7.441 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: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -588.679747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.679747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.679747 (E_RNA) where: Base-Base interactions energy: -262.723 where: short stacking energy: -162.249 Base-Backbone interact. energy: -0.792 local terms energy: -325.164935 where: bonds (distance) C4'-P energy: -89.008 bonds (distance) P-C4' energy: -92.896 flat angles C4'-P-C4' energy: -91.271 flat angles P-C4'-P energy: -45.604 tors. eta vs tors. theta energy: -6.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -427.104414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.104414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.104414 (E_RNA) where: Base-Base interactions energy: -158.458 where: short stacking energy: -115.029 Base-Backbone interact. energy: 0.770 local terms energy: -269.415842 where: bonds (distance) C4'-P energy: -86.461 bonds (distance) P-C4' energy: -93.119 flat angles C4'-P-C4' energy: -71.203 flat angles P-C4'-P energy: -31.229 tors. eta vs tors. theta energy: 12.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1919.697776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.697776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.697776 (E_RNA) where: Base-Base interactions energy: -1299.308 where: short stacking energy: -568.212 Base-Backbone interact. energy: -0.997 local terms energy: -619.392778 where: bonds (distance) C4'-P energy: -106.692 bonds (distance) P-C4' energy: -117.451 flat angles C4'-P-C4' energy: -132.399 flat angles P-C4'-P energy: -87.746 tors. eta vs tors. theta energy: -175.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1648.790805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.790805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.790805 (E_RNA) where: Base-Base interactions energy: -1093.085 where: short stacking energy: -492.375 Base-Backbone interact. energy: -1.020 local terms energy: -554.686338 where: bonds (distance) C4'-P energy: -110.219 bonds (distance) P-C4' energy: -107.679 flat angles C4'-P-C4' energy: -125.512 flat angles P-C4'-P energy: -71.584 tors. eta vs tors. theta energy: -139.693 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: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1584.769712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.769712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.769712 (E_RNA) where: Base-Base interactions energy: -1086.431 where: short stacking energy: -454.800 Base-Backbone interact. energy: 0.975 local terms energy: -499.313582 where: bonds (distance) C4'-P energy: -96.179 bonds (distance) P-C4' energy: -103.617 flat angles C4'-P-C4' energy: -113.474 flat angles P-C4'-P energy: -69.038 tors. eta vs tors. theta energy: -117.005 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: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1532.532468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.532468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.532468 (E_RNA) where: Base-Base interactions energy: -1000.523 where: short stacking energy: -453.873 Base-Backbone interact. energy: -1.684 local terms energy: -530.325177 where: bonds (distance) C4'-P energy: -104.796 bonds (distance) P-C4' energy: -112.038 flat angles C4'-P-C4' energy: -106.673 flat angles P-C4'-P energy: -75.033 tors. eta vs tors. theta energy: -131.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1403.627411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.627411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.627411 (E_RNA) where: Base-Base interactions energy: -915.121 where: short stacking energy: -439.936 Base-Backbone interact. energy: -2.986 local terms energy: -485.520663 where: bonds (distance) C4'-P energy: -94.295 bonds (distance) P-C4' energy: -91.673 flat angles C4'-P-C4' energy: -118.684 flat angles P-C4'-P energy: -67.249 tors. eta vs tors. theta energy: -113.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1127.500142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.500142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.500142 (E_RNA) where: Base-Base interactions energy: -706.130 where: short stacking energy: -368.242 Base-Backbone interact. energy: -2.530 local terms energy: -418.840799 where: bonds (distance) C4'-P energy: -81.135 bonds (distance) P-C4' energy: -83.018 flat angles C4'-P-C4' energy: -94.330 flat angles P-C4'-P energy: -64.281 tors. eta vs tors. theta energy: -96.077 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: 200 Temperature: 1.200000 Total energy: -896.922013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.922013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.922013 (E_RNA) where: Base-Base interactions energy: -516.262 where: short stacking energy: -261.481 Base-Backbone interact. energy: -2.071 local terms energy: -378.588967 where: bonds (distance) C4'-P energy: -95.436 bonds (distance) P-C4' energy: -94.786 flat angles C4'-P-C4' energy: -86.063 flat angles P-C4'-P energy: -61.569 tors. eta vs tors. theta energy: -40.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -672.915273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.915273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.915273 (E_RNA) where: Base-Base interactions energy: -320.791 where: short stacking energy: -204.362 Base-Backbone interact. energy: -3.355 local terms energy: -348.768538 where: bonds (distance) C4'-P energy: -83.693 bonds (distance) P-C4' energy: -106.378 flat angles C4'-P-C4' energy: -78.264 flat angles P-C4'-P energy: -64.480 tors. eta vs tors. theta energy: -15.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -559.988553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.988553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.988553 (E_RNA) where: Base-Base interactions energy: -244.683 where: short stacking energy: -133.928 Base-Backbone interact. energy: -1.073 local terms energy: -314.232788 where: bonds (distance) C4'-P energy: -92.973 bonds (distance) P-C4' energy: -92.587 flat angles C4'-P-C4' energy: -72.924 flat angles P-C4'-P energy: -62.019 tors. eta vs tors. theta energy: 6.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -431.627685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.627685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.627685 (E_RNA) where: Base-Base interactions energy: -120.756 where: short stacking energy: -91.331 Base-Backbone interact. energy: -3.412 local terms energy: -307.460458 where: bonds (distance) C4'-P energy: -94.577 bonds (distance) P-C4' energy: -88.946 flat angles C4'-P-C4' energy: -93.107 flat angles P-C4'-P energy: -44.344 tors. eta vs tors. theta energy: 13.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1908.379913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.379913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.379913 (E_RNA) where: Base-Base interactions energy: -1313.433 where: short stacking energy: -560.697 Base-Backbone interact. energy: -2.968 local terms energy: -591.978840 where: bonds (distance) C4'-P energy: -113.281 bonds (distance) P-C4' energy: -106.371 flat angles C4'-P-C4' energy: -125.620 flat angles P-C4'-P energy: -81.000 tors. eta vs tors. theta energy: -165.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1649.738131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.738131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.738131 (E_RNA) where: Base-Base interactions energy: -1116.255 where: short stacking energy: -478.589 Base-Backbone interact. energy: 1.509 local terms energy: -534.992107 where: bonds (distance) C4'-P energy: -103.719 bonds (distance) P-C4' energy: -114.731 flat angles C4'-P-C4' energy: -111.608 flat angles P-C4'-P energy: -70.255 tors. eta vs tors. theta energy: -134.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1604.303038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.303038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.303038 (E_RNA) where: Base-Base interactions energy: -1061.105 where: short stacking energy: -463.780 Base-Backbone interact. energy: -1.610 local terms energy: -541.588527 where: bonds (distance) C4'-P energy: -104.214 bonds (distance) P-C4' energy: -112.684 flat angles C4'-P-C4' energy: -112.681 flat angles P-C4'-P energy: -76.277 tors. eta vs tors. theta energy: -135.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1502.716293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.716293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.716293 (E_RNA) where: Base-Base interactions energy: -978.336 where: short stacking energy: -431.324 Base-Backbone interact. energy: 0.232 local terms energy: -524.611540 where: bonds (distance) C4'-P energy: -96.972 bonds (distance) P-C4' energy: -124.820 flat angles C4'-P-C4' energy: -108.160 flat angles P-C4'-P energy: -78.669 tors. eta vs tors. theta energy: -115.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1391.578463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.578463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.578463 (E_RNA) where: Base-Base interactions energy: -928.158 where: short stacking energy: -396.094 Base-Backbone interact. energy: -3.581 local terms energy: -459.839206 where: bonds (distance) C4'-P energy: -109.720 bonds (distance) P-C4' energy: -81.617 flat angles C4'-P-C4' energy: -105.035 flat angles P-C4'-P energy: -60.986 tors. eta vs tors. theta energy: -102.481 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: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1074.177226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.177226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.177226 (E_RNA) where: Base-Base interactions energy: -640.178 where: short stacking energy: -318.319 Base-Backbone interact. energy: -0.261 local terms energy: -433.738784 where: bonds (distance) C4'-P energy: -92.401 bonds (distance) P-C4' energy: -104.352 flat angles C4'-P-C4' energy: -92.245 flat angles P-C4'-P energy: -65.226 tors. eta vs tors. theta energy: -79.515 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: 10 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -861.525571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.525571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.525571 (E_RNA) where: Base-Base interactions energy: -457.473 where: short stacking energy: -245.953 Base-Backbone interact. energy: 14.111 local terms energy: -418.163950 where: bonds (distance) C4'-P energy: -85.775 bonds (distance) P-C4' energy: -97.780 flat angles C4'-P-C4' energy: -88.465 flat angles P-C4'-P energy: -87.691 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: 8, replica: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -695.617289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.617289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.617289 (E_RNA) where: Base-Base interactions energy: -305.619 where: short stacking energy: -180.800 Base-Backbone interact. energy: -1.437 local terms energy: -388.561018 where: bonds (distance) C4'-P energy: -100.879 bonds (distance) P-C4' energy: -97.500 flat angles C4'-P-C4' energy: -97.054 flat angles P-C4'-P energy: -67.167 tors. eta vs tors. theta energy: -25.960 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: 8 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -551.275649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.275649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.275649 (E_RNA) where: Base-Base interactions energy: -233.708 where: short stacking energy: -133.319 Base-Backbone interact. energy: -2.536 local terms energy: -315.031163 where: bonds (distance) C4'-P energy: -102.450 bonds (distance) P-C4' energy: -96.801 flat angles C4'-P-C4' energy: -73.801 flat angles P-C4'-P energy: -42.690 tors. eta vs tors. theta energy: 0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -427.364747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.364747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.364747 (E_RNA) where: Base-Base interactions energy: -146.657 where: short stacking energy: -115.417 Base-Backbone interact. energy: 3.477 local terms energy: -284.185430 where: bonds (distance) C4'-P energy: -74.584 bonds (distance) P-C4' energy: -95.219 flat angles C4'-P-C4' energy: -77.614 flat angles P-C4'-P energy: -49.200 tors. eta vs tors. theta energy: 12.432 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: 202 Temperature: 0.900000 Total energy: -1902.500765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.500765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.500765 (E_RNA) where: Base-Base interactions energy: -1303.321 where: short stacking energy: -546.647 Base-Backbone interact. energy: -1.764 local terms energy: -597.415715 where: bonds (distance) C4'-P energy: -105.126 bonds (distance) P-C4' energy: -112.088 flat angles C4'-P-C4' energy: -126.556 flat angles P-C4'-P energy: -87.954 tors. eta vs tors. theta energy: -165.691 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: 202 Temperature: 0.950000 Total energy: -1701.956540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.956540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.956540 (E_RNA) where: Base-Base interactions energy: -1140.234 where: short stacking energy: -486.058 Base-Backbone interact. energy: -1.542 local terms energy: -560.180537 where: bonds (distance) C4'-P energy: -114.900 bonds (distance) P-C4' energy: -100.571 flat angles C4'-P-C4' energy: -131.843 flat angles P-C4'-P energy: -69.087 tors. eta vs tors. theta energy: -143.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1591.899481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.899481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.899481 (E_RNA) where: Base-Base interactions energy: -1098.206 where: short stacking energy: -470.645 Base-Backbone interact. energy: 2.328 local terms energy: -496.021208 where: bonds (distance) C4'-P energy: -97.375 bonds (distance) P-C4' energy: -91.133 flat angles C4'-P-C4' energy: -109.327 flat angles P-C4'-P energy: -60.178 tors. eta vs tors. theta energy: -138.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1505.082636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.082636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.082636 (E_RNA) where: Base-Base interactions energy: -1019.907 where: short stacking energy: -456.109 Base-Backbone interact. energy: -4.308 local terms energy: -480.867032 where: bonds (distance) C4'-P energy: -83.913 bonds (distance) P-C4' energy: -105.763 flat angles C4'-P-C4' energy: -106.769 flat angles P-C4'-P energy: -45.746 tors. eta vs tors. theta energy: -138.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1391.244616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.244616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.244616 (E_RNA) where: Base-Base interactions energy: -908.514 where: short stacking energy: -386.484 Base-Backbone interact. energy: 1.649 local terms energy: -484.379939 where: bonds (distance) C4'-P energy: -98.986 bonds (distance) P-C4' energy: -104.473 flat angles C4'-P-C4' energy: -103.554 flat angles P-C4'-P energy: -66.829 tors. eta vs tors. theta energy: -110.540 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: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1141.440034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.440034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.440034 (E_RNA) where: Base-Base interactions energy: -684.818 where: short stacking energy: -311.505 Base-Backbone interact. energy: -1.645 local terms energy: -454.976939 where: bonds (distance) C4'-P energy: -88.777 bonds (distance) P-C4' energy: -118.891 flat angles C4'-P-C4' energy: -110.954 flat angles P-C4'-P energy: -54.896 tors. eta vs tors. theta energy: -81.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -936.814403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.814403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.814403 (E_RNA) where: Base-Base interactions energy: -554.159 where: short stacking energy: -286.089 Base-Backbone interact. energy: -0.582 local terms energy: -382.073437 where: bonds (distance) C4'-P energy: -100.327 bonds (distance) P-C4' energy: -91.387 flat angles C4'-P-C4' energy: -98.204 flat angles P-C4'-P energy: -47.651 tors. eta vs tors. theta energy: -44.504 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: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -657.211858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.211858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.211858 (E_RNA) where: Base-Base interactions energy: -302.202 where: short stacking energy: -201.170 Base-Backbone interact. energy: 0.935 local terms energy: -355.944867 where: bonds (distance) C4'-P energy: -94.913 bonds (distance) P-C4' energy: -102.937 flat angles C4'-P-C4' energy: -96.049 flat angles P-C4'-P energy: -49.134 tors. eta vs tors. theta energy: -12.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -561.586197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.586197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.586197 (E_RNA) where: Base-Base interactions energy: -266.607 where: short stacking energy: -140.548 Base-Backbone interact. energy: 0.647 local terms energy: -295.626196 where: bonds (distance) C4'-P energy: -80.235 bonds (distance) P-C4' energy: -89.542 flat angles C4'-P-C4' energy: -79.892 flat angles P-C4'-P energy: -52.229 tors. eta vs tors. theta energy: 6.272 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: 10, replica: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -420.251019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.251019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.251019 (E_RNA) where: Base-Base interactions energy: -163.105 where: short stacking energy: -132.356 Base-Backbone interact. energy: 0.473 local terms energy: -257.619050 where: bonds (distance) C4'-P energy: -83.222 bonds (distance) P-C4' energy: -105.013 flat angles C4'-P-C4' energy: -46.260 flat angles P-C4'-P energy: -45.281 tors. eta vs tors. theta energy: 22.156 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: 203 Temperature: 0.900000 Total energy: -1920.234501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.234501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.234501 (E_RNA) where: Base-Base interactions energy: -1307.724 where: short stacking energy: -563.767 Base-Backbone interact. energy: -0.415 local terms energy: -612.095583 where: bonds (distance) C4'-P energy: -112.562 bonds (distance) P-C4' energy: -114.934 flat angles C4'-P-C4' energy: -126.684 flat angles P-C4'-P energy: -82.225 tors. eta vs tors. theta energy: -175.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1712.148122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.148122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.148122 (E_RNA) where: Base-Base interactions energy: -1176.345 where: short stacking energy: -514.321 Base-Backbone interact. energy: -2.093 local terms energy: -533.710246 where: bonds (distance) C4'-P energy: -99.361 bonds (distance) P-C4' energy: -103.788 flat angles C4'-P-C4' energy: -125.876 flat angles P-C4'-P energy: -70.927 tors. eta vs tors. theta energy: -133.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1574.914210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.914210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.914210 (E_RNA) where: Base-Base interactions energy: -1043.801 where: short stacking energy: -467.962 Base-Backbone interact. energy: -2.096 local terms energy: -529.017296 where: bonds (distance) C4'-P energy: -104.366 bonds (distance) P-C4' energy: -96.124 flat angles C4'-P-C4' energy: -118.165 flat angles P-C4'-P energy: -80.800 tors. eta vs tors. theta energy: -129.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1537.765545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.765545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.765545 (E_RNA) where: Base-Base interactions energy: -1023.852 where: short stacking energy: -444.663 Base-Backbone interact. energy: -3.417 local terms energy: -510.496903 where: bonds (distance) C4'-P energy: -94.478 bonds (distance) P-C4' energy: -100.795 flat angles C4'-P-C4' energy: -122.773 flat angles P-C4'-P energy: -71.680 tors. eta vs tors. theta energy: -120.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1436.822526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.822526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.822526 (E_RNA) where: Base-Base interactions energy: -940.286 where: short stacking energy: -422.134 Base-Backbone interact. energy: 1.926 local terms energy: -498.462979 where: bonds (distance) C4'-P energy: -96.334 bonds (distance) P-C4' energy: -94.942 flat angles C4'-P-C4' energy: -108.599 flat angles P-C4'-P energy: -77.272 tors. eta vs tors. theta energy: -121.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1159.314955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.314955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.314955 (E_RNA) where: Base-Base interactions energy: -725.924 where: short stacking energy: -327.560 Base-Backbone interact. energy: -0.639 local terms energy: -432.752503 where: bonds (distance) C4'-P energy: -97.374 bonds (distance) P-C4' energy: -99.463 flat angles C4'-P-C4' energy: -113.107 flat angles P-C4'-P energy: -46.642 tors. eta vs tors. theta energy: -76.167 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: 203 Temperature: 1.200000 Total energy: -939.250757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.250757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.250757 (E_RNA) where: Base-Base interactions energy: -556.454 where: short stacking energy: -309.325 Base-Backbone interact. energy: -2.620 local terms energy: -380.176949 where: bonds (distance) C4'-P energy: -85.877 bonds (distance) P-C4' energy: -84.460 flat angles C4'-P-C4' energy: -100.618 flat angles P-C4'-P energy: -51.793 tors. eta vs tors. theta energy: -57.429 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: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -662.827881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.827881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.827881 (E_RNA) where: Base-Base interactions energy: -319.002 where: short stacking energy: -194.242 Base-Backbone interact. energy: 1.827 local terms energy: -345.652931 where: bonds (distance) C4'-P energy: -90.452 bonds (distance) P-C4' energy: -88.113 flat angles C4'-P-C4' energy: -92.461 flat angles P-C4'-P energy: -55.681 tors. eta vs tors. theta energy: -18.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -616.443520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.443520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.443520 (E_RNA) where: Base-Base interactions energy: -306.801 where: short stacking energy: -182.525 Base-Backbone interact. energy: 6.235 local terms energy: -315.877345 where: bonds (distance) C4'-P energy: -87.664 bonds (distance) P-C4' energy: -92.750 flat angles C4'-P-C4' energy: -83.931 flat angles P-C4'-P energy: -41.497 tors. eta vs tors. theta energy: -10.034 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: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -455.762733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.762733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.762733 (E_RNA) where: Base-Base interactions energy: -165.617 where: short stacking energy: -103.900 Base-Backbone interact. energy: 0.688 local terms energy: -290.833203 where: bonds (distance) C4'-P energy: -79.943 bonds (distance) P-C4' energy: -95.831 flat angles C4'-P-C4' energy: -79.616 flat angles P-C4'-P energy: -48.402 tors. eta vs tors. theta energy: 12.959 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: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1886.841385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.841385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.841385 (E_RNA) where: Base-Base interactions energy: -1288.920 where: short stacking energy: -569.289 Base-Backbone interact. energy: -1.235 local terms energy: -596.686508 where: bonds (distance) C4'-P energy: -116.149 bonds (distance) P-C4' energy: -107.966 flat angles C4'-P-C4' energy: -121.377 flat angles P-C4'-P energy: -73.345 tors. eta vs tors. theta energy: -177.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1695.557182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.557182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.557182 (E_RNA) where: Base-Base interactions energy: -1149.598 where: short stacking energy: -498.427 Base-Backbone interact. energy: -4.277 local terms energy: -541.682077 where: bonds (distance) C4'-P energy: -87.575 bonds (distance) P-C4' energy: -111.490 flat angles C4'-P-C4' energy: -121.557 flat angles P-C4'-P energy: -77.213 tors. eta vs tors. theta energy: -143.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1544.676189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.676189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.676189 (E_RNA) where: Base-Base interactions energy: -1015.389 where: short stacking energy: -440.634 Base-Backbone interact. energy: 0.033 local terms energy: -529.320890 where: bonds (distance) C4'-P energy: -101.388 bonds (distance) P-C4' energy: -108.280 flat angles C4'-P-C4' energy: -107.265 flat angles P-C4'-P energy: -77.597 tors. eta vs tors. theta energy: -134.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1505.460787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.460787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.460787 (E_RNA) where: Base-Base interactions energy: -998.012 where: short stacking energy: -437.475 Base-Backbone interact. energy: -3.182 local terms energy: -504.266635 where: bonds (distance) C4'-P energy: -91.410 bonds (distance) P-C4' energy: -108.910 flat angles C4'-P-C4' energy: -110.593 flat angles P-C4'-P energy: -73.069 tors. eta vs tors. theta energy: -120.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1372.362396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.362396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.362396 (E_RNA) where: Base-Base interactions energy: -905.284 where: short stacking energy: -405.065 Base-Backbone interact. energy: -2.951 local terms energy: -464.127477 where: bonds (distance) C4'-P energy: -86.662 bonds (distance) P-C4' energy: -96.127 flat angles C4'-P-C4' energy: -105.411 flat angles P-C4'-P energy: -81.793 tors. eta vs tors. theta energy: -94.134 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: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1208.139156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.139156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.139156 (E_RNA) where: Base-Base interactions energy: -760.788 where: short stacking energy: -340.790 Base-Backbone interact. energy: -0.761 local terms energy: -446.590912 where: bonds (distance) C4'-P energy: -91.655 bonds (distance) P-C4' energy: -97.895 flat angles C4'-P-C4' energy: -109.982 flat angles P-C4'-P energy: -67.663 tors. eta vs tors. theta energy: -79.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -886.831789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.831789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.831789 (E_RNA) where: Base-Base interactions energy: -523.159 where: short stacking energy: -276.368 Base-Backbone interact. energy: 0.662 local terms energy: -364.334733 where: bonds (distance) C4'-P energy: -94.199 bonds (distance) P-C4' energy: -73.531 flat angles C4'-P-C4' energy: -91.340 flat angles P-C4'-P energy: -56.718 tors. eta vs tors. theta energy: -48.547 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: 8 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -665.940550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.940550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.940550 (E_RNA) where: Base-Base interactions energy: -322.377 where: short stacking energy: -171.859 Base-Backbone interact. energy: -0.666 local terms energy: -342.898290 where: bonds (distance) C4'-P energy: -101.100 bonds (distance) P-C4' energy: -104.685 flat angles C4'-P-C4' energy: -84.524 flat angles P-C4'-P energy: -51.440 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -599.156871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.156871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.156871 (E_RNA) where: Base-Base interactions energy: -308.965 where: short stacking energy: -173.571 Base-Backbone interact. energy: -1.650 local terms energy: -288.542415 where: bonds (distance) C4'-P energy: -93.264 bonds (distance) P-C4' energy: -116.526 flat angles C4'-P-C4' energy: -47.771 flat angles P-C4'-P energy: -33.072 tors. eta vs tors. theta energy: 2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -481.721518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.721518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.721518 (E_RNA) where: Base-Base interactions energy: -187.516 where: short stacking energy: -131.811 Base-Backbone interact. energy: -2.076 local terms energy: -292.129250 where: bonds (distance) C4'-P energy: -90.873 bonds (distance) P-C4' energy: -89.720 flat angles C4'-P-C4' energy: -75.552 flat angles P-C4'-P energy: -56.203 tors. eta vs tors. theta energy: 20.219 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: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1894.996225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.996225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.996225 (E_RNA) where: Base-Base interactions energy: -1326.941 where: short stacking energy: -582.730 Base-Backbone interact. energy: -2.378 local terms energy: -565.676521 where: bonds (distance) C4'-P energy: -82.149 bonds (distance) P-C4' energy: -107.938 flat angles C4'-P-C4' energy: -126.686 flat angles P-C4'-P energy: -74.889 tors. eta vs tors. theta energy: -174.013 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: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1725.138667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.138667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.138667 (E_RNA) where: Base-Base interactions energy: -1179.234 where: short stacking energy: -507.293 Base-Backbone interact. energy: -2.695 local terms energy: -543.209994 where: bonds (distance) C4'-P energy: -111.404 bonds (distance) P-C4' energy: -106.194 flat angles C4'-P-C4' energy: -107.316 flat angles P-C4'-P energy: -78.060 tors. eta vs tors. theta energy: -140.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1553.561444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.561444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.561444 (E_RNA) where: Base-Base interactions energy: -1036.710 where: short stacking energy: -478.413 Base-Backbone interact. energy: 0.163 local terms energy: -517.014642 where: bonds (distance) C4'-P energy: -86.040 bonds (distance) P-C4' energy: -105.786 flat angles C4'-P-C4' energy: -121.477 flat angles P-C4'-P energy: -68.103 tors. eta vs tors. theta energy: -135.608 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: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1522.761517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.761517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.761517 (E_RNA) where: Base-Base interactions energy: -1022.710 where: short stacking energy: -450.020 Base-Backbone interact. energy: 0.016 local terms energy: -500.067409 where: bonds (distance) C4'-P energy: -95.326 bonds (distance) P-C4' energy: -92.792 flat angles C4'-P-C4' energy: -111.654 flat angles P-C4'-P energy: -70.757 tors. eta vs tors. theta energy: -129.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1428.937322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.937322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.937322 (E_RNA) where: Base-Base interactions energy: -926.094 where: short stacking energy: -415.431 Base-Backbone interact. energy: -0.274 local terms energy: -502.569237 where: bonds (distance) C4'-P energy: -94.553 bonds (distance) P-C4' energy: -99.965 flat angles C4'-P-C4' energy: -116.788 flat angles P-C4'-P energy: -64.988 tors. eta vs tors. theta energy: -126.276 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: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1230.033858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.033858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.033858 (E_RNA) where: Base-Base interactions energy: -747.180 where: short stacking energy: -355.772 Base-Backbone interact. energy: -0.482 local terms energy: -482.372318 where: bonds (distance) C4'-P energy: -104.472 bonds (distance) P-C4' energy: -107.834 flat angles C4'-P-C4' energy: -107.594 flat angles P-C4'-P energy: -71.656 tors. eta vs tors. theta energy: -90.816 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: 10 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -887.961233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.961233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.961233 (E_RNA) where: Base-Base interactions energy: -503.962 where: short stacking energy: -261.447 Base-Backbone interact. energy: 4.620 local terms energy: -388.619163 where: bonds (distance) C4'-P energy: -74.998 bonds (distance) P-C4' energy: -103.398 flat angles C4'-P-C4' energy: -103.212 flat angles P-C4'-P energy: -61.393 tors. eta vs tors. theta energy: -45.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -653.646675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.646675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.646675 (E_RNA) where: Base-Base interactions energy: -333.033 where: short stacking energy: -182.429 Base-Backbone interact. energy: -2.395 local terms energy: -318.218809 where: bonds (distance) C4'-P energy: -67.329 bonds (distance) P-C4' energy: -100.697 flat angles C4'-P-C4' energy: -81.587 flat angles P-C4'-P energy: -55.923 tors. eta vs tors. theta energy: -12.683 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: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -615.155591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.155591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.155591 (E_RNA) where: Base-Base interactions energy: -278.639 where: short stacking energy: -158.063 Base-Backbone interact. energy: 1.870 local terms energy: -338.386398 where: bonds (distance) C4'-P energy: -99.372 bonds (distance) P-C4' energy: -92.947 flat angles C4'-P-C4' energy: -81.187 flat angles P-C4'-P energy: -64.558 tors. eta vs tors. theta energy: -0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -435.215358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.215358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.215358 (E_RNA) where: Base-Base interactions energy: -139.319 where: short stacking energy: -93.647 Base-Backbone interact. energy: 0.484 local terms energy: -296.379817 where: bonds (distance) C4'-P energy: -89.533 bonds (distance) P-C4' energy: -95.590 flat angles C4'-P-C4' energy: -67.491 flat angles P-C4'-P energy: -58.207 tors. eta vs tors. theta energy: 14.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1882.063225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.063225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.063225 (E_RNA) where: Base-Base interactions energy: -1301.169 where: short stacking energy: -547.416 Base-Backbone interact. energy: -2.067 local terms energy: -578.827397 where: bonds (distance) C4'-P energy: -106.418 bonds (distance) P-C4' energy: -110.278 flat angles C4'-P-C4' energy: -130.223 flat angles P-C4'-P energy: -69.513 tors. eta vs tors. theta energy: -162.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1754.122205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.122205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.122205 (E_RNA) where: Base-Base interactions energy: -1205.738 where: short stacking energy: -485.418 Base-Backbone interact. energy: 1.886 local terms energy: -550.270557 where: bonds (distance) C4'-P energy: -99.278 bonds (distance) P-C4' energy: -118.233 flat angles C4'-P-C4' energy: -117.961 flat angles P-C4'-P energy: -76.748 tors. eta vs tors. theta energy: -138.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1566.881715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.881715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.881715 (E_RNA) where: Base-Base interactions energy: -1035.092 where: short stacking energy: -485.923 Base-Backbone interact. energy: 1.469 local terms energy: -533.258888 where: bonds (distance) C4'-P energy: -113.809 bonds (distance) P-C4' energy: -104.305 flat angles C4'-P-C4' energy: -119.360 flat angles P-C4'-P energy: -60.569 tors. eta vs tors. theta energy: -135.216 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: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1576.352369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.352369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.352369 (E_RNA) where: Base-Base interactions energy: -1049.307 where: short stacking energy: -487.599 Base-Backbone interact. energy: -2.824 local terms energy: -524.221427 where: bonds (distance) C4'-P energy: -97.313 bonds (distance) P-C4' energy: -101.295 flat angles C4'-P-C4' energy: -118.227 flat angles P-C4'-P energy: -70.418 tors. eta vs tors. theta energy: -136.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1438.912115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.912115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.912115 (E_RNA) where: Base-Base interactions energy: -937.584 where: short stacking energy: -412.151 Base-Backbone interact. energy: -0.867 local terms energy: -500.461051 where: bonds (distance) C4'-P energy: -101.067 bonds (distance) P-C4' energy: -97.883 flat angles C4'-P-C4' energy: -110.516 flat angles P-C4'-P energy: -75.907 tors. eta vs tors. theta energy: -115.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1201.479383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.479383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.479383 (E_RNA) where: Base-Base interactions energy: -745.933 where: short stacking energy: -348.587 Base-Backbone interact. energy: 1.745 local terms energy: -457.291391 where: bonds (distance) C4'-P energy: -102.733 bonds (distance) P-C4' energy: -100.451 flat angles C4'-P-C4' energy: -98.775 flat angles P-C4'-P energy: -62.184 tors. eta vs tors. theta energy: -93.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -909.139331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.139331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.139331 (E_RNA) where: Base-Base interactions energy: -515.887 where: short stacking energy: -275.660 Base-Backbone interact. energy: -1.757 local terms energy: -391.494702 where: bonds (distance) C4'-P energy: -98.048 bonds (distance) P-C4' energy: -98.126 flat angles C4'-P-C4' energy: -101.667 flat angles P-C4'-P energy: -50.199 tors. eta vs tors. theta energy: -43.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -698.937510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.937510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.937510 (E_RNA) where: Base-Base interactions energy: -335.520 where: short stacking energy: -196.760 Base-Backbone interact. energy: -0.937 local terms energy: -362.480182 where: bonds (distance) C4'-P energy: -95.791 bonds (distance) P-C4' energy: -97.669 flat angles C4'-P-C4' energy: -87.383 flat angles P-C4'-P energy: -74.161 tors. eta vs tors. theta energy: -7.475 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: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -619.677476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.677476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.677476 (E_RNA) where: Base-Base interactions energy: -295.248 where: short stacking energy: -174.149 Base-Backbone interact. energy: -0.037 local terms energy: -324.392819 where: bonds (distance) C4'-P energy: -97.946 bonds (distance) P-C4' energy: -95.394 flat angles C4'-P-C4' energy: -79.625 flat angles P-C4'-P energy: -52.405 tors. eta vs tors. theta energy: 0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -417.690617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.690617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.690617 (E_RNA) where: Base-Base interactions energy: -135.796 where: short stacking energy: -111.832 Base-Backbone interact. energy: -1.656 local terms energy: -280.238319 where: bonds (distance) C4'-P energy: -91.349 bonds (distance) P-C4' energy: -107.353 flat angles C4'-P-C4' energy: -78.991 flat angles P-C4'-P energy: -42.490 tors. eta vs tors. theta energy: 39.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1885.736105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.736105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.736105 (E_RNA) where: Base-Base interactions energy: -1316.608 where: short stacking energy: -560.598 Base-Backbone interact. energy: -1.304 local terms energy: -567.823543 where: bonds (distance) C4'-P energy: -108.249 bonds (distance) P-C4' energy: -103.705 flat angles C4'-P-C4' energy: -117.222 flat angles P-C4'-P energy: -77.199 tors. eta vs tors. theta energy: -161.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1745.778141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.778141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.778141 (E_RNA) where: Base-Base interactions energy: -1162.764 where: short stacking energy: -508.103 Base-Backbone interact. energy: -2.947 local terms energy: -580.067640 where: bonds (distance) C4'-P energy: -108.467 bonds (distance) P-C4' energy: -118.077 flat angles C4'-P-C4' energy: -116.878 flat angles P-C4'-P energy: -80.235 tors. eta vs tors. theta energy: -156.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1597.831848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.831848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.831848 (E_RNA) where: Base-Base interactions energy: -1055.151 where: short stacking energy: -482.573 Base-Backbone interact. energy: -2.428 local terms energy: -540.253501 where: bonds (distance) C4'-P energy: -116.509 bonds (distance) P-C4' energy: -109.516 flat angles C4'-P-C4' energy: -116.778 flat angles P-C4'-P energy: -67.920 tors. eta vs tors. theta energy: -129.530 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: 1 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1520.275405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.275405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.275405 (E_RNA) where: Base-Base interactions energy: -988.835 where: short stacking energy: -447.035 Base-Backbone interact. energy: -2.502 local terms energy: -528.938269 where: bonds (distance) C4'-P energy: -103.944 bonds (distance) P-C4' energy: -102.770 flat angles C4'-P-C4' energy: -114.774 flat angles P-C4'-P energy: -76.723 tors. eta vs tors. theta energy: -130.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1442.764898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.764898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.764898 (E_RNA) where: Base-Base interactions energy: -928.344 where: short stacking energy: -413.460 Base-Backbone interact. energy: -0.425 local terms energy: -513.996172 where: bonds (distance) C4'-P energy: -113.263 bonds (distance) P-C4' energy: -114.543 flat angles C4'-P-C4' energy: -101.522 flat angles P-C4'-P energy: -71.196 tors. eta vs tors. theta energy: -113.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1216.528534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.528534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.528534 (E_RNA) where: Base-Base interactions energy: -783.840 where: short stacking energy: -355.178 Base-Backbone interact. energy: 3.016 local terms energy: -435.705057 where: bonds (distance) C4'-P energy: -75.862 bonds (distance) P-C4' energy: -95.902 flat angles C4'-P-C4' energy: -103.026 flat angles P-C4'-P energy: -69.393 tors. eta vs tors. theta energy: -91.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -872.308850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.308850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.308850 (E_RNA) where: Base-Base interactions energy: -495.606 where: short stacking energy: -224.305 Base-Backbone interact. energy: -3.365 local terms energy: -373.337495 where: bonds (distance) C4'-P energy: -113.377 bonds (distance) P-C4' energy: -98.222 flat angles C4'-P-C4' energy: -89.263 flat angles P-C4'-P energy: -50.800 tors. eta vs tors. theta energy: -21.676 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: 207 Temperature: 1.250000 Total energy: -670.141248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.141248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.141248 (E_RNA) where: Base-Base interactions energy: -347.834 where: short stacking energy: -226.964 Base-Backbone interact. energy: 1.452 local terms energy: -323.758807 where: bonds (distance) C4'-P energy: -77.738 bonds (distance) P-C4' energy: -84.153 flat angles C4'-P-C4' energy: -89.680 flat angles P-C4'-P energy: -29.107 tors. eta vs tors. theta energy: -43.082 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: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -678.546191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.546191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.546191 (E_RNA) where: Base-Base interactions energy: -377.292 where: short stacking energy: -162.383 Base-Backbone interact. energy: -2.816 local terms energy: -298.437878 where: bonds (distance) C4'-P energy: -84.333 bonds (distance) P-C4' energy: -88.771 flat angles C4'-P-C4' energy: -87.202 flat angles P-C4'-P energy: -34.414 tors. eta vs tors. theta energy: -3.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -449.090734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.090734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.090734 (E_RNA) where: Base-Base interactions energy: -180.958 where: short stacking energy: -96.938 Base-Backbone interact. energy: -0.642 local terms energy: -267.490671 where: bonds (distance) C4'-P energy: -77.530 bonds (distance) P-C4' energy: -98.514 flat angles C4'-P-C4' energy: -76.283 flat angles P-C4'-P energy: -56.530 tors. eta vs tors. theta energy: 41.366 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: 208 Temperature: 0.900000 Total energy: -1893.260256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.260256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.260256 (E_RNA) where: Base-Base interactions energy: -1284.021 where: short stacking energy: -556.390 Base-Backbone interact. energy: 0.091 local terms energy: -609.330191 where: bonds (distance) C4'-P energy: -105.782 bonds (distance) P-C4' energy: -114.302 flat angles C4'-P-C4' energy: -133.778 flat angles P-C4'-P energy: -85.730 tors. eta vs tors. theta energy: -169.739 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: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1731.841358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.841358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.841358 (E_RNA) where: Base-Base interactions energy: -1183.328 where: short stacking energy: -516.749 Base-Backbone interact. energy: -2.992 local terms energy: -545.520806 where: bonds (distance) C4'-P energy: -108.896 bonds (distance) P-C4' energy: -97.051 flat angles C4'-P-C4' energy: -124.158 flat angles P-C4'-P energy: -73.934 tors. eta vs tors. theta energy: -141.481 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: 1 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1545.819844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.819844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.819844 (E_RNA) where: Base-Base interactions energy: -1038.193 where: short stacking energy: -438.231 Base-Backbone interact. energy: -2.127 local terms energy: -505.499595 where: bonds (distance) C4'-P energy: -113.808 bonds (distance) P-C4' energy: -104.536 flat angles C4'-P-C4' energy: -106.245 flat angles P-C4'-P energy: -67.422 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: 4, replica: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1544.393180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.393180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.393180 (E_RNA) where: Base-Base interactions energy: -1028.926 where: short stacking energy: -443.069 Base-Backbone interact. energy: -4.975 local terms energy: -510.492631 where: bonds (distance) C4'-P energy: -99.142 bonds (distance) P-C4' energy: -94.206 flat angles C4'-P-C4' energy: -119.972 flat angles P-C4'-P energy: -57.992 tors. eta vs tors. theta energy: -139.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1418.878133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.878133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.878133 (E_RNA) where: Base-Base interactions energy: -893.945 where: short stacking energy: -396.743 Base-Backbone interact. energy: -1.383 local terms energy: -523.549939 where: bonds (distance) C4'-P energy: -109.040 bonds (distance) P-C4' energy: -114.720 flat angles C4'-P-C4' energy: -114.610 flat angles P-C4'-P energy: -74.350 tors. eta vs tors. theta energy: -110.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1207.670053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.670053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.670053 (E_RNA) where: Base-Base interactions energy: -782.577 where: short stacking energy: -349.178 Base-Backbone interact. energy: -2.617 local terms energy: -422.475799 where: bonds (distance) C4'-P energy: -86.673 bonds (distance) P-C4' energy: -95.258 flat angles C4'-P-C4' energy: -94.210 flat angles P-C4'-P energy: -70.954 tors. eta vs tors. theta energy: -75.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -969.661444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.661444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.661444 (E_RNA) where: Base-Base interactions energy: -587.471 where: short stacking energy: -291.337 Base-Backbone interact. energy: 3.769 local terms energy: -385.959046 where: bonds (distance) C4'-P energy: -90.897 bonds (distance) P-C4' energy: -91.567 flat angles C4'-P-C4' energy: -88.077 flat angles P-C4'-P energy: -61.408 tors. eta vs tors. theta energy: -54.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -672.662919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.662919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.662919 (E_RNA) where: Base-Base interactions energy: -376.671 where: short stacking energy: -191.134 Base-Backbone interact. energy: 2.072 local terms energy: -298.063345 where: bonds (distance) C4'-P energy: -72.113 bonds (distance) P-C4' energy: -97.336 flat angles C4'-P-C4' energy: -71.195 flat angles P-C4'-P energy: -59.987 tors. eta vs tors. theta energy: 2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -678.902980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.902980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.902980 (E_RNA) where: Base-Base interactions energy: -348.640 where: short stacking energy: -188.310 Base-Backbone interact. energy: -2.475 local terms energy: -327.788556 where: bonds (distance) C4'-P energy: -71.682 bonds (distance) P-C4' energy: -108.298 flat angles C4'-P-C4' energy: -78.433 flat angles P-C4'-P energy: -55.885 tors. eta vs tors. theta energy: -13.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -418.255830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.255830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.255830 (E_RNA) where: Base-Base interactions energy: -118.483 where: short stacking energy: -97.708 Base-Backbone interact. energy: -0.047 local terms energy: -299.725753 where: bonds (distance) C4'-P energy: -103.312 bonds (distance) P-C4' energy: -100.378 flat angles C4'-P-C4' energy: -78.612 flat angles P-C4'-P energy: -35.056 tors. eta vs tors. theta energy: 17.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1870.121285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.121285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.121285 (E_RNA) where: Base-Base interactions energy: -1267.227 where: short stacking energy: -549.924 Base-Backbone interact. energy: 0.008 local terms energy: -602.902378 where: bonds (distance) C4'-P energy: -107.232 bonds (distance) P-C4' energy: -120.511 flat angles C4'-P-C4' energy: -121.928 flat angles P-C4'-P energy: -80.413 tors. eta vs tors. theta energy: -172.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1721.679569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.679569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.679569 (E_RNA) where: Base-Base interactions energy: -1170.806 where: short stacking energy: -485.293 Base-Backbone interact. energy: 1.433 local terms energy: -552.306669 where: bonds (distance) C4'-P energy: -99.521 bonds (distance) P-C4' energy: -113.357 flat angles C4'-P-C4' energy: -117.993 flat angles P-C4'-P energy: -82.039 tors. eta vs tors. theta energy: -139.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1598.761059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.761059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.761059 (E_RNA) where: Base-Base interactions energy: -1059.712 where: short stacking energy: -464.320 Base-Backbone interact. energy: -2.939 local terms energy: -536.110638 where: bonds (distance) C4'-P energy: -100.803 bonds (distance) P-C4' energy: -102.894 flat angles C4'-P-C4' energy: -115.786 flat angles P-C4'-P energy: -73.612 tors. eta vs tors. theta energy: -143.016 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: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1527.919438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.919438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.919438 (E_RNA) where: Base-Base interactions energy: -1010.125 where: short stacking energy: -451.780 Base-Backbone interact. energy: -1.680 local terms energy: -516.114428 where: bonds (distance) C4'-P energy: -94.727 bonds (distance) P-C4' energy: -105.412 flat angles C4'-P-C4' energy: -104.763 flat angles P-C4'-P energy: -89.537 tors. eta vs tors. theta energy: -121.674 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: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1388.215718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.215718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.215718 (E_RNA) where: Base-Base interactions energy: -896.406 where: short stacking energy: -407.955 Base-Backbone interact. energy: -1.281 local terms energy: -490.528755 where: bonds (distance) C4'-P energy: -99.331 bonds (distance) P-C4' energy: -97.285 flat angles C4'-P-C4' energy: -104.483 flat angles P-C4'-P energy: -71.246 tors. eta vs tors. theta energy: -118.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1230.573573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.573573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.573573 (E_RNA) where: Base-Base interactions energy: -795.893 where: short stacking energy: -342.748 Base-Backbone interact. energy: -1.097 local terms energy: -433.584060 where: bonds (distance) C4'-P energy: -100.843 bonds (distance) P-C4' energy: -97.191 flat angles C4'-P-C4' energy: -96.421 flat angles P-C4'-P energy: -56.162 tors. eta vs tors. theta energy: -82.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -926.598930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.598930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.598930 (E_RNA) where: Base-Base interactions energy: -522.190 where: short stacking energy: -259.274 Base-Backbone interact. energy: 1.654 local terms energy: -406.063602 where: bonds (distance) C4'-P energy: -104.440 bonds (distance) P-C4' energy: -98.776 flat angles C4'-P-C4' energy: -95.736 flat angles P-C4'-P energy: -55.382 tors. eta vs tors. theta energy: -51.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -650.644376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.644376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.644376 (E_RNA) where: Base-Base interactions energy: -324.135 where: short stacking energy: -181.664 Base-Backbone interact. energy: 0.302 local terms energy: -326.811196 where: bonds (distance) C4'-P energy: -83.726 bonds (distance) P-C4' energy: -90.448 flat angles C4'-P-C4' energy: -101.648 flat angles P-C4'-P energy: -50.991 tors. eta vs tors. theta energy: 0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -653.911300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.911300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.911300 (E_RNA) where: Base-Base interactions energy: -338.734 where: short stacking energy: -173.668 Base-Backbone interact. energy: -1.553 local terms energy: -313.623813 where: bonds (distance) C4'-P energy: -106.703 bonds (distance) P-C4' energy: -95.480 flat angles C4'-P-C4' energy: -73.352 flat angles P-C4'-P energy: -42.301 tors. eta vs tors. theta energy: 4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -449.498693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.498693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.498693 (E_RNA) where: Base-Base interactions energy: -163.559 where: short stacking energy: -148.043 Base-Backbone interact. energy: 1.528 local terms energy: -287.467991 where: bonds (distance) C4'-P energy: -95.527 bonds (distance) P-C4' energy: -88.138 flat angles C4'-P-C4' energy: -81.409 flat angles P-C4'-P energy: -47.511 tors. eta vs tors. theta energy: 25.116 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: 210 Temperature: 0.900000 Total energy: -1914.860688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.860688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.860688 (E_RNA) where: Base-Base interactions energy: -1322.947 where: short stacking energy: -584.770 Base-Backbone interact. energy: -1.572 local terms energy: -590.342157 where: bonds (distance) C4'-P energy: -103.740 bonds (distance) P-C4' energy: -109.514 flat angles C4'-P-C4' energy: -128.576 flat angles P-C4'-P energy: -73.331 tors. eta vs tors. theta energy: -175.181 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: 3 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1743.785198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.785198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.785198 (E_RNA) where: Base-Base interactions energy: -1179.458 where: short stacking energy: -504.009 Base-Backbone interact. energy: -3.087 local terms energy: -561.239473 where: bonds (distance) C4'-P energy: -106.070 bonds (distance) P-C4' energy: -105.964 flat angles C4'-P-C4' energy: -114.335 flat angles P-C4'-P energy: -80.547 tors. eta vs tors. theta energy: -154.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1612.060013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.060013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.060013 (E_RNA) where: Base-Base interactions energy: -1076.550 where: short stacking energy: -476.240 Base-Backbone interact. energy: -0.413 local terms energy: -535.097711 where: bonds (distance) C4'-P energy: -102.555 bonds (distance) P-C4' energy: -112.152 flat angles C4'-P-C4' energy: -117.612 flat angles P-C4'-P energy: -61.542 tors. eta vs tors. theta energy: -141.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1476.323130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.323130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.323130 (E_RNA) where: Base-Base interactions energy: -982.008 where: short stacking energy: -436.067 Base-Backbone interact. energy: 3.679 local terms energy: -497.993224 where: bonds (distance) C4'-P energy: -104.386 bonds (distance) P-C4' energy: -93.629 flat angles C4'-P-C4' energy: -115.032 flat angles P-C4'-P energy: -59.593 tors. eta vs tors. theta energy: -125.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1432.005746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.005746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.005746 (E_RNA) where: Base-Base interactions energy: -942.936 where: short stacking energy: -436.689 Base-Backbone interact. energy: -0.450 local terms energy: -488.619371 where: bonds (distance) C4'-P energy: -87.007 bonds (distance) P-C4' energy: -105.499 flat angles C4'-P-C4' energy: -105.563 flat angles P-C4'-P energy: -75.278 tors. eta vs tors. theta energy: -115.273 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: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1278.117458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.117458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.117458 (E_RNA) where: Base-Base interactions energy: -842.839 where: short stacking energy: -367.620 Base-Backbone interact. energy: -0.565 local terms energy: -434.713756 where: bonds (distance) C4'-P energy: -81.465 bonds (distance) P-C4' energy: -102.245 flat angles C4'-P-C4' energy: -99.088 flat angles P-C4'-P energy: -71.987 tors. eta vs tors. theta energy: -79.929 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: 210 Temperature: 1.200000 Total energy: -981.655136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.655136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.655136 (E_RNA) where: Base-Base interactions energy: -547.081 where: short stacking energy: -291.147 Base-Backbone interact. energy: -0.891 local terms energy: -433.683400 where: bonds (distance) C4'-P energy: -93.724 bonds (distance) P-C4' energy: -99.318 flat angles C4'-P-C4' energy: -108.187 flat angles P-C4'-P energy: -67.156 tors. eta vs tors. theta energy: -65.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -703.890866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.890866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.890866 (E_RNA) where: Base-Base interactions energy: -328.571 where: short stacking energy: -196.127 Base-Backbone interact. energy: -2.000 local terms energy: -373.319218 where: bonds (distance) C4'-P energy: -86.492 bonds (distance) P-C4' energy: -119.829 flat angles C4'-P-C4' energy: -98.058 flat angles P-C4'-P energy: -58.682 tors. eta vs tors. theta energy: -10.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -682.101329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.101329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.101329 (E_RNA) where: Base-Base interactions energy: -362.162 where: short stacking energy: -178.914 Base-Backbone interact. energy: 1.138 local terms energy: -321.077455 where: bonds (distance) C4'-P energy: -84.257 bonds (distance) P-C4' energy: -87.731 flat angles C4'-P-C4' energy: -81.585 flat angles P-C4'-P energy: -61.535 tors. eta vs tors. theta energy: -5.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -454.543230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.543230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.543230 (E_RNA) where: Base-Base interactions energy: -159.452 where: short stacking energy: -121.843 Base-Backbone interact. energy: 1.991 local terms energy: -297.081868 where: bonds (distance) C4'-P energy: -108.647 bonds (distance) P-C4' energy: -104.054 flat angles C4'-P-C4' energy: -80.987 flat angles P-C4'-P energy: -25.309 tors. eta vs tors. theta energy: 21.916 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: 7 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1908.593176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.593176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.593176 (E_RNA) where: Base-Base interactions energy: -1280.701 where: short stacking energy: -553.845 Base-Backbone interact. energy: -1.280 local terms energy: -626.611936 where: bonds (distance) C4'-P energy: -111.966 bonds (distance) P-C4' energy: -112.905 flat angles C4'-P-C4' energy: -124.797 flat angles P-C4'-P energy: -95.819 tors. eta vs tors. theta energy: -181.125 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: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1683.721279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.721279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.721279 (E_RNA) where: Base-Base interactions energy: -1149.068 where: short stacking energy: -476.828 Base-Backbone interact. energy: -0.012 local terms energy: -534.641834 where: bonds (distance) C4'-P energy: -106.172 bonds (distance) P-C4' energy: -109.831 flat angles C4'-P-C4' energy: -118.483 flat angles P-C4'-P energy: -64.930 tors. eta vs tors. theta energy: -135.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1628.724398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.724398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.724398 (E_RNA) where: Base-Base interactions energy: -1088.393 where: short stacking energy: -480.431 Base-Backbone interact. energy: -5.095 local terms energy: -535.236789 where: bonds (distance) C4'-P energy: -98.962 bonds (distance) P-C4' energy: -112.624 flat angles C4'-P-C4' energy: -114.757 flat angles P-C4'-P energy: -54.258 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: 4, replica: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1475.892788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.892788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.892788 (E_RNA) where: Base-Base interactions energy: -985.141 where: short stacking energy: -435.618 Base-Backbone interact. energy: -0.363 local terms energy: -490.388675 where: bonds (distance) C4'-P energy: -99.289 bonds (distance) P-C4' energy: -100.682 flat angles C4'-P-C4' energy: -109.505 flat angles P-C4'-P energy: -62.459 tors. eta vs tors. theta energy: -118.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1388.725613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.725613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.725613 (E_RNA) where: Base-Base interactions energy: -914.436 where: short stacking energy: -403.187 Base-Backbone interact. energy: -3.467 local terms energy: -470.821755 where: bonds (distance) C4'-P energy: -105.686 bonds (distance) P-C4' energy: -86.777 flat angles C4'-P-C4' energy: -117.932 flat angles P-C4'-P energy: -53.147 tors. eta vs tors. theta energy: -107.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1279.108288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.108288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.108288 (E_RNA) where: Base-Base interactions energy: -824.815 where: short stacking energy: -360.065 Base-Backbone interact. energy: -5.176 local terms energy: -449.117595 where: bonds (distance) C4'-P energy: -96.169 bonds (distance) P-C4' energy: -99.491 flat angles C4'-P-C4' energy: -106.433 flat angles P-C4'-P energy: -59.456 tors. eta vs tors. theta energy: -87.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -919.736122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.736122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.736122 (E_RNA) where: Base-Base interactions energy: -554.376 where: short stacking energy: -280.069 Base-Backbone interact. energy: 1.159 local terms energy: -366.519704 where: bonds (distance) C4'-P energy: -99.443 bonds (distance) P-C4' energy: -75.923 flat angles C4'-P-C4' energy: -100.561 flat angles P-C4'-P energy: -40.616 tors. eta vs tors. theta energy: -49.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -769.642520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.642520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.642520 (E_RNA) where: Base-Base interactions energy: -424.912 where: short stacking energy: -205.153 Base-Backbone interact. energy: -1.764 local terms energy: -342.965850 where: bonds (distance) C4'-P energy: -100.446 bonds (distance) P-C4' energy: -93.075 flat angles C4'-P-C4' energy: -81.298 flat angles P-C4'-P energy: -40.812 tors. eta vs tors. theta energy: -27.335 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: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -611.583738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.583738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.583738 (E_RNA) where: Base-Base interactions energy: -299.181 where: short stacking energy: -174.563 Base-Backbone interact. energy: 1.916 local terms energy: -314.318594 where: bonds (distance) C4'-P energy: -91.625 bonds (distance) P-C4' energy: -93.957 flat angles C4'-P-C4' energy: -78.448 flat angles P-C4'-P energy: -46.741 tors. eta vs tors. theta energy: -3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -409.858564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.858564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.858564 (E_RNA) where: Base-Base interactions energy: -132.256 where: short stacking energy: -98.604 Base-Backbone interact. energy: 4.269 local terms energy: -281.871290 where: bonds (distance) C4'-P energy: -76.257 bonds (distance) P-C4' energy: -105.125 flat angles C4'-P-C4' energy: -95.360 flat angles P-C4'-P energy: -49.006 tors. eta vs tors. theta energy: 43.877 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: 212 Temperature: 0.900000 Total energy: -1914.317693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.317693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.317693 (E_RNA) where: Base-Base interactions energy: -1309.624 where: short stacking energy: -555.411 Base-Backbone interact. energy: -1.613 local terms energy: -603.080403 where: bonds (distance) C4'-P energy: -114.923 bonds (distance) P-C4' energy: -105.149 flat angles C4'-P-C4' energy: -125.003 flat angles P-C4'-P energy: -87.117 tors. eta vs tors. theta energy: -170.890 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: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1728.100484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.100484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.100484 (E_RNA) where: Base-Base interactions energy: -1149.582 where: short stacking energy: -484.719 Base-Backbone interact. energy: -2.596 local terms energy: -575.923029 where: bonds (distance) C4'-P energy: -113.799 bonds (distance) P-C4' energy: -112.676 flat angles C4'-P-C4' energy: -135.106 flat angles P-C4'-P energy: -73.839 tors. eta vs tors. theta energy: -140.503 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: 1 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1597.548338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.548338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.548338 (E_RNA) where: Base-Base interactions energy: -1095.189 where: short stacking energy: -448.054 Base-Backbone interact. energy: -5.036 local terms energy: -497.323540 where: bonds (distance) C4'-P energy: -93.531 bonds (distance) P-C4' energy: -98.845 flat angles C4'-P-C4' energy: -102.075 flat angles P-C4'-P energy: -70.319 tors. eta vs tors. theta energy: -132.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1488.544785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.544785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.544785 (E_RNA) where: Base-Base interactions energy: -982.957 where: short stacking energy: -453.876 Base-Backbone interact. energy: -1.639 local terms energy: -503.948730 where: bonds (distance) C4'-P energy: -89.285 bonds (distance) P-C4' energy: -94.331 flat angles C4'-P-C4' energy: -116.501 flat angles P-C4'-P energy: -78.530 tors. eta vs tors. theta energy: -125.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1395.800944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.800944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.800944 (E_RNA) where: Base-Base interactions energy: -892.534 where: short stacking energy: -394.643 Base-Backbone interact. energy: -3.112 local terms energy: -500.154759 where: bonds (distance) C4'-P energy: -102.289 bonds (distance) P-C4' energy: -116.101 flat angles C4'-P-C4' energy: -102.909 flat angles P-C4'-P energy: -68.328 tors. eta vs tors. theta energy: -110.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1305.886586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.886586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.886586 (E_RNA) where: Base-Base interactions energy: -872.829 where: short stacking energy: -366.640 Base-Backbone interact. energy: -0.423 local terms energy: -432.634933 where: bonds (distance) C4'-P energy: -88.070 bonds (distance) P-C4' energy: -97.416 flat angles C4'-P-C4' energy: -107.851 flat angles P-C4'-P energy: -48.029 tors. eta vs tors. theta energy: -91.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -891.348421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.348421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.348421 (E_RNA) where: Base-Base interactions energy: -518.443 where: short stacking energy: -260.400 Base-Backbone interact. energy: 1.736 local terms energy: -374.641220 where: bonds (distance) C4'-P energy: -96.044 bonds (distance) P-C4' energy: -91.232 flat angles C4'-P-C4' energy: -105.954 flat angles P-C4'-P energy: -52.250 tors. eta vs tors. theta energy: -29.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -786.289694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.289694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.289694 (E_RNA) where: Base-Base interactions energy: -442.779 where: short stacking energy: -250.745 Base-Backbone interact. energy: -3.042 local terms energy: -340.467820 where: bonds (distance) C4'-P energy: -88.440 bonds (distance) P-C4' energy: -84.294 flat angles C4'-P-C4' energy: -90.334 flat angles P-C4'-P energy: -45.783 tors. eta vs tors. theta energy: -31.617 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: 9, replica: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -565.008509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.008509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.008509 (E_RNA) where: Base-Base interactions energy: -300.053 where: short stacking energy: -164.270 Base-Backbone interact. energy: 3.242 local terms energy: -268.196735 where: bonds (distance) C4'-P energy: -94.760 bonds (distance) P-C4' energy: -98.640 flat angles C4'-P-C4' energy: -60.314 flat angles P-C4'-P energy: -19.881 tors. eta vs tors. theta energy: 5.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -430.779670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.779670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.779670 (E_RNA) where: Base-Base interactions energy: -159.697 where: short stacking energy: -121.470 Base-Backbone interact. energy: -3.320 local terms energy: -267.762694 where: bonds (distance) C4'-P energy: -94.354 bonds (distance) P-C4' energy: -81.800 flat angles C4'-P-C4' energy: -69.254 flat angles P-C4'-P energy: -47.697 tors. eta vs tors. theta energy: 25.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1911.344481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.344481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.344481 (E_RNA) where: Base-Base interactions energy: -1299.501 where: short stacking energy: -550.305 Base-Backbone interact. energy: -2.023 local terms energy: -609.819884 where: bonds (distance) C4'-P energy: -113.402 bonds (distance) P-C4' energy: -107.798 flat angles C4'-P-C4' energy: -125.331 flat angles P-C4'-P energy: -92.025 tors. eta vs tors. theta energy: -171.263 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: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1740.471170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.471170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.471170 (E_RNA) where: Base-Base interactions energy: -1198.007 where: short stacking energy: -484.738 Base-Backbone interact. energy: -0.799 local terms energy: -541.665095 where: bonds (distance) C4'-P energy: -102.868 bonds (distance) P-C4' energy: -98.690 flat angles C4'-P-C4' energy: -124.781 flat angles P-C4'-P energy: -71.818 tors. eta vs tors. theta energy: -143.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1635.663411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.663411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.663411 (E_RNA) where: Base-Base interactions energy: -1104.289 where: short stacking energy: -449.663 Base-Backbone interact. energy: -4.010 local terms energy: -527.364537 where: bonds (distance) C4'-P energy: -93.617 bonds (distance) P-C4' energy: -107.191 flat angles C4'-P-C4' energy: -114.867 flat angles P-C4'-P energy: -70.037 tors. eta vs tors. theta energy: -141.653 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: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1476.275444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.275444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.275444 (E_RNA) where: Base-Base interactions energy: -948.596 where: short stacking energy: -451.284 Base-Backbone interact. energy: -1.792 local terms energy: -525.886939 where: bonds (distance) C4'-P energy: -108.769 bonds (distance) P-C4' energy: -91.137 flat angles C4'-P-C4' energy: -122.343 flat angles P-C4'-P energy: -77.431 tors. eta vs tors. theta energy: -126.207 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: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1385.168537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.168537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.168537 (E_RNA) where: Base-Base interactions energy: -926.072 where: short stacking energy: -412.142 Base-Backbone interact. energy: 0.062 local terms energy: -459.157869 where: bonds (distance) C4'-P energy: -109.132 bonds (distance) P-C4' energy: -72.251 flat angles C4'-P-C4' energy: -100.047 flat angles P-C4'-P energy: -62.105 tors. eta vs tors. theta energy: -115.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1293.471622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.471622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.471622 (E_RNA) where: Base-Base interactions energy: -832.345 where: short stacking energy: -380.005 Base-Backbone interact. energy: -1.378 local terms energy: -459.748812 where: bonds (distance) C4'-P energy: -99.425 bonds (distance) P-C4' energy: -94.062 flat angles C4'-P-C4' energy: -91.077 flat angles P-C4'-P energy: -70.171 tors. eta vs tors. theta energy: -105.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -895.882144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.882144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.882144 (E_RNA) where: Base-Base interactions energy: -511.800 where: short stacking energy: -268.368 Base-Backbone interact. energy: -1.483 local terms energy: -382.599373 where: bonds (distance) C4'-P energy: -106.802 bonds (distance) P-C4' energy: -94.198 flat angles C4'-P-C4' energy: -87.707 flat angles P-C4'-P energy: -45.346 tors. eta vs tors. theta energy: -48.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -723.113605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.113605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.113605 (E_RNA) where: Base-Base interactions energy: -376.438 where: short stacking energy: -182.104 Base-Backbone interact. energy: -0.677 local terms energy: -345.998236 where: bonds (distance) C4'-P energy: -85.841 bonds (distance) P-C4' energy: -103.942 flat angles C4'-P-C4' energy: -98.767 flat angles P-C4'-P energy: -64.329 tors. eta vs tors. theta energy: 6.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -560.308709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.308709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.308709 (E_RNA) where: Base-Base interactions energy: -238.568 where: short stacking energy: -155.212 Base-Backbone interact. energy: 1.505 local terms energy: -323.245826 where: bonds (distance) C4'-P energy: -94.835 bonds (distance) P-C4' energy: -92.677 flat angles C4'-P-C4' energy: -87.725 flat angles P-C4'-P energy: -52.917 tors. eta vs tors. theta energy: 4.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -423.725573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.725573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.725573 (E_RNA) where: Base-Base interactions energy: -164.794 where: short stacking energy: -119.108 Base-Backbone interact. energy: 2.251 local terms energy: -261.182331 where: bonds (distance) C4'-P energy: -77.039 bonds (distance) P-C4' energy: -96.571 flat angles C4'-P-C4' energy: -80.706 flat angles P-C4'-P energy: -42.700 tors. eta vs tors. theta energy: 35.834 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: 214 Temperature: 0.900000 Total energy: -1923.104761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.104761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.104761 (E_RNA) where: Base-Base interactions energy: -1307.264 where: short stacking energy: -556.281 Base-Backbone interact. energy: -0.450 local terms energy: -615.390775 where: bonds (distance) C4'-P energy: -116.370 bonds (distance) P-C4' energy: -102.070 flat angles C4'-P-C4' energy: -130.594 flat angles P-C4'-P energy: -88.468 tors. eta vs tors. theta energy: -177.890 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: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1743.452740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.452740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.452740 (E_RNA) where: Base-Base interactions energy: -1205.238 where: short stacking energy: -478.146 Base-Backbone interact. energy: -3.396 local terms energy: -534.818264 where: bonds (distance) C4'-P energy: -85.368 bonds (distance) P-C4' energy: -108.532 flat angles C4'-P-C4' energy: -121.164 flat angles P-C4'-P energy: -73.336 tors. eta vs tors. theta energy: -146.418 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: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1669.575790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.575790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.575790 (E_RNA) where: Base-Base interactions energy: -1131.451 where: short stacking energy: -493.572 Base-Backbone interact. energy: -3.090 local terms energy: -535.035027 where: bonds (distance) C4'-P energy: -99.852 bonds (distance) P-C4' energy: -97.288 flat angles C4'-P-C4' energy: -112.764 flat angles P-C4'-P energy: -72.784 tors. eta vs tors. theta energy: -152.348 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: 5 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1472.786296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.786296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.786296 (E_RNA) where: Base-Base interactions energy: -983.610 where: short stacking energy: -419.555 Base-Backbone interact. energy: -1.277 local terms energy: -487.898789 where: bonds (distance) C4'-P energy: -103.691 bonds (distance) P-C4' energy: -103.892 flat angles C4'-P-C4' energy: -113.222 flat angles P-C4'-P energy: -61.331 tors. eta vs tors. theta energy: -105.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1385.687723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.687723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.687723 (E_RNA) where: Base-Base interactions energy: -898.919 where: short stacking energy: -412.751 Base-Backbone interact. energy: -3.022 local terms energy: -483.746748 where: bonds (distance) C4'-P energy: -115.566 bonds (distance) P-C4' energy: -95.882 flat angles C4'-P-C4' energy: -97.750 flat angles P-C4'-P energy: -76.428 tors. eta vs tors. theta energy: -98.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1251.690707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.690707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.690707 (E_RNA) where: Base-Base interactions energy: -802.991 where: short stacking energy: -350.047 Base-Backbone interact. energy: 0.710 local terms energy: -449.409904 where: bonds (distance) C4'-P energy: -96.477 bonds (distance) P-C4' energy: -97.670 flat angles C4'-P-C4' energy: -93.710 flat angles P-C4'-P energy: -69.284 tors. eta vs tors. theta energy: -92.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -923.918471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.918471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.918471 (E_RNA) where: Base-Base interactions energy: -536.314 where: short stacking energy: -260.221 Base-Backbone interact. energy: 2.215 local terms energy: -389.819397 where: bonds (distance) C4'-P energy: -86.214 bonds (distance) P-C4' energy: -96.890 flat angles C4'-P-C4' energy: -97.484 flat angles P-C4'-P energy: -68.032 tors. eta vs tors. theta energy: -41.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -827.834539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.834539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.834539 (E_RNA) where: Base-Base interactions energy: -483.930 where: short stacking energy: -220.142 Base-Backbone interact. energy: 0.265 local terms energy: -344.169595 where: bonds (distance) C4'-P energy: -82.428 bonds (distance) P-C4' energy: -92.005 flat angles C4'-P-C4' energy: -90.498 flat angles P-C4'-P energy: -51.052 tors. eta vs tors. theta energy: -28.187 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: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -563.314719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.314719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.314719 (E_RNA) where: Base-Base interactions energy: -239.814 where: short stacking energy: -161.846 Base-Backbone interact. energy: -2.212 local terms energy: -321.288426 where: bonds (distance) C4'-P energy: -93.414 bonds (distance) P-C4' energy: -97.985 flat angles C4'-P-C4' energy: -88.264 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: 5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -458.307815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.307815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.307815 (E_RNA) where: Base-Base interactions energy: -172.859 where: short stacking energy: -145.989 Base-Backbone interact. energy: 0.932 local terms energy: -286.380002 where: bonds (distance) C4'-P energy: -94.399 bonds (distance) P-C4' energy: -89.146 flat angles C4'-P-C4' energy: -74.742 flat angles P-C4'-P energy: -30.580 tors. eta vs tors. theta energy: 2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1896.246414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.246414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.246414 (E_RNA) where: Base-Base interactions energy: -1296.577 where: short stacking energy: -550.527 Base-Backbone interact. energy: -0.225 local terms energy: -599.444797 where: bonds (distance) C4'-P energy: -107.656 bonds (distance) P-C4' energy: -108.131 flat angles C4'-P-C4' energy: -128.467 flat angles P-C4'-P energy: -85.533 tors. eta vs tors. theta energy: -169.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1750.779430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.779430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.779430 (E_RNA) where: Base-Base interactions energy: -1197.998 where: short stacking energy: -505.946 Base-Backbone interact. energy: -3.452 local terms energy: -549.328883 where: bonds (distance) C4'-P energy: -92.122 bonds (distance) P-C4' energy: -118.637 flat angles C4'-P-C4' energy: -121.546 flat angles P-C4'-P energy: -63.148 tors. eta vs tors. theta energy: -153.876 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: 1 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1644.606716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.606716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.606716 (E_RNA) where: Base-Base interactions energy: -1101.914 where: short stacking energy: -473.925 Base-Backbone interact. energy: -0.424 local terms energy: -542.268237 where: bonds (distance) C4'-P energy: -104.960 bonds (distance) P-C4' energy: -110.343 flat angles C4'-P-C4' energy: -122.887 flat angles P-C4'-P energy: -64.285 tors. eta vs tors. theta energy: -139.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1488.173830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.173830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.173830 (E_RNA) where: Base-Base interactions energy: -992.570 where: short stacking energy: -445.469 Base-Backbone interact. energy: 0.695 local terms energy: -496.298767 where: bonds (distance) C4'-P energy: -92.807 bonds (distance) P-C4' energy: -99.114 flat angles C4'-P-C4' energy: -111.167 flat angles P-C4'-P energy: -69.502 tors. eta vs tors. theta energy: -123.709 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: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1399.227213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.227213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.227213 (E_RNA) where: Base-Base interactions energy: -932.035 where: short stacking energy: -427.530 Base-Backbone interact. energy: -2.047 local terms energy: -465.144907 where: bonds (distance) C4'-P energy: -76.298 bonds (distance) P-C4' energy: -106.201 flat angles C4'-P-C4' energy: -111.265 flat angles P-C4'-P energy: -53.008 tors. eta vs tors. theta energy: -118.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1248.559623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.559623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.559623 (E_RNA) where: Base-Base interactions energy: -810.554 where: short stacking energy: -339.936 Base-Backbone interact. energy: 0.368 local terms energy: -438.373830 where: bonds (distance) C4'-P energy: -103.969 bonds (distance) P-C4' energy: -99.069 flat angles C4'-P-C4' energy: -87.749 flat angles P-C4'-P energy: -62.924 tors. eta vs tors. theta energy: -84.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -896.707407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.707407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.707407 (E_RNA) where: Base-Base interactions energy: -503.648 where: short stacking energy: -251.043 Base-Backbone interact. energy: 1.919 local terms energy: -394.978720 where: bonds (distance) C4'-P energy: -95.976 bonds (distance) P-C4' energy: -103.704 flat angles C4'-P-C4' energy: -101.222 flat angles P-C4'-P energy: -59.157 tors. eta vs tors. theta energy: -34.921 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: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -841.027763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.027763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.027763 (E_RNA) where: Base-Base interactions energy: -485.263 where: short stacking energy: -238.347 Base-Backbone interact. energy: 0.932 local terms energy: -356.696466 where: bonds (distance) C4'-P energy: -90.663 bonds (distance) P-C4' energy: -87.044 flat angles C4'-P-C4' energy: -90.787 flat angles P-C4'-P energy: -55.891 tors. eta vs tors. theta energy: -32.312 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: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -544.112315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.112315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.112315 (E_RNA) where: Base-Base interactions energy: -213.445 where: short stacking energy: -127.713 Base-Backbone interact. energy: 0.488 local terms energy: -331.155027 where: bonds (distance) C4'-P energy: -97.406 bonds (distance) P-C4' energy: -99.537 flat angles C4'-P-C4' energy: -88.404 flat angles P-C4'-P energy: -49.374 tors. eta vs tors. theta energy: 3.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -475.138918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.138918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.138918 (E_RNA) where: Base-Base interactions energy: -199.026 where: short stacking energy: -146.012 Base-Backbone interact. energy: -0.848 local terms energy: -275.265396 where: bonds (distance) C4'-P energy: -80.391 bonds (distance) P-C4' energy: -80.597 flat angles C4'-P-C4' energy: -79.931 flat angles P-C4'-P energy: -39.102 tors. eta vs tors. theta energy: 4.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1871.382370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.382370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.382370 (E_RNA) where: Base-Base interactions energy: -1254.955 where: short stacking energy: -525.352 Base-Backbone interact. energy: -2.740 local terms energy: -613.687800 where: bonds (distance) C4'-P energy: -108.398 bonds (distance) P-C4' energy: -125.292 flat angles C4'-P-C4' energy: -134.265 flat angles P-C4'-P energy: -84.898 tors. eta vs tors. theta energy: -160.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1689.154941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.154941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.154941 (E_RNA) where: Base-Base interactions energy: -1151.982 where: short stacking energy: -460.163 Base-Backbone interact. energy: -1.453 local terms energy: -535.720443 where: bonds (distance) C4'-P energy: -99.339 bonds (distance) P-C4' energy: -112.866 flat angles C4'-P-C4' energy: -124.298 flat angles P-C4'-P energy: -73.657 tors. eta vs tors. theta energy: -125.560 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: 1 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1666.714113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.714113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.714113 (E_RNA) where: Base-Base interactions energy: -1111.832 where: short stacking energy: -486.576 Base-Backbone interact. energy: -2.584 local terms energy: -552.297586 where: bonds (distance) C4'-P energy: -97.077 bonds (distance) P-C4' energy: -115.282 flat angles C4'-P-C4' energy: -124.184 flat angles P-C4'-P energy: -75.639 tors. eta vs tors. theta energy: -140.115 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: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1504.442042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.442042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.442042 (E_RNA) where: Base-Base interactions energy: -988.164 where: short stacking energy: -445.246 Base-Backbone interact. energy: 3.219 local terms energy: -519.496321 where: bonds (distance) C4'-P energy: -85.394 bonds (distance) P-C4' energy: -114.531 flat angles C4'-P-C4' energy: -118.728 flat angles P-C4'-P energy: -74.816 tors. eta vs tors. theta energy: -126.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1442.458592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.458592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.458592 (E_RNA) where: Base-Base interactions energy: -938.204 where: short stacking energy: -437.560 Base-Backbone interact. energy: -0.489 local terms energy: -503.765665 where: bonds (distance) C4'-P energy: -98.114 bonds (distance) P-C4' energy: -108.586 flat angles C4'-P-C4' energy: -111.442 flat angles P-C4'-P energy: -65.460 tors. eta vs tors. theta energy: -120.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1313.677960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.677960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.677960 (E_RNA) where: Base-Base interactions energy: -835.791 where: short stacking energy: -373.752 Base-Backbone interact. energy: -1.626 local terms energy: -476.260954 where: bonds (distance) C4'-P energy: -100.776 bonds (distance) P-C4' energy: -100.164 flat angles C4'-P-C4' energy: -113.147 flat angles P-C4'-P energy: -60.561 tors. eta vs tors. theta energy: -101.613 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: 216 Temperature: 1.200000 Total energy: -893.559221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.559221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.559221 (E_RNA) where: Base-Base interactions energy: -499.979 where: short stacking energy: -242.979 Base-Backbone interact. energy: -1.092 local terms energy: -392.488426 where: bonds (distance) C4'-P energy: -95.065 bonds (distance) P-C4' energy: -100.494 flat angles C4'-P-C4' energy: -102.823 flat angles P-C4'-P energy: -59.764 tors. eta vs tors. theta energy: -34.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -858.411940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.411940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.411940 (E_RNA) where: Base-Base interactions energy: -488.302 where: short stacking energy: -257.764 Base-Backbone interact. energy: 0.529 local terms energy: -370.639139 where: bonds (distance) C4'-P energy: -94.010 bonds (distance) P-C4' energy: -92.878 flat angles C4'-P-C4' energy: -89.003 flat angles P-C4'-P energy: -59.261 tors. eta vs tors. theta energy: -35.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -562.544420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.544420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.544420 (E_RNA) where: Base-Base interactions energy: -249.563 where: short stacking energy: -158.564 Base-Backbone interact. energy: -2.666 local terms energy: -310.315176 where: bonds (distance) C4'-P energy: -96.310 bonds (distance) P-C4' energy: -88.983 flat angles C4'-P-C4' energy: -80.149 flat angles P-C4'-P energy: -49.511 tors. eta vs tors. theta energy: 4.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -436.860257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.860257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.860257 (E_RNA) where: Base-Base interactions energy: -155.372 where: short stacking energy: -118.707 Base-Backbone interact. energy: 0.503 local terms energy: -281.991199 where: bonds (distance) C4'-P energy: -82.406 bonds (distance) P-C4' energy: -82.358 flat angles C4'-P-C4' energy: -86.125 flat angles P-C4'-P energy: -47.112 tors. eta vs tors. theta energy: 16.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1899.573922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.573922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.573922 (E_RNA) where: Base-Base interactions energy: -1297.617 where: short stacking energy: -541.468 Base-Backbone interact. energy: -1.185 local terms energy: -600.771559 where: bonds (distance) C4'-P energy: -112.874 bonds (distance) P-C4' energy: -110.847 flat angles C4'-P-C4' energy: -116.166 flat angles P-C4'-P energy: -96.908 tors. eta vs tors. theta energy: -163.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1733.252260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.252260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.252260 (E_RNA) where: Base-Base interactions energy: -1185.263 where: short stacking energy: -484.697 Base-Backbone interact. energy: 1.555 local terms energy: -549.544114 where: bonds (distance) C4'-P energy: -112.043 bonds (distance) P-C4' energy: -110.568 flat angles C4'-P-C4' energy: -117.844 flat angles P-C4'-P energy: -73.500 tors. eta vs tors. theta energy: -135.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1680.324321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.324321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.324321 (E_RNA) where: Base-Base interactions energy: -1111.909 where: short stacking energy: -483.389 Base-Backbone interact. energy: -1.656 local terms energy: -566.759101 where: bonds (distance) C4'-P energy: -122.046 bonds (distance) P-C4' energy: -108.104 flat angles C4'-P-C4' energy: -114.951 flat angles P-C4'-P energy: -63.248 tors. eta vs tors. theta energy: -158.410 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: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1526.067276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.067276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.067276 (E_RNA) where: Base-Base interactions energy: -1016.991 where: short stacking energy: -448.278 Base-Backbone interact. energy: -1.083 local terms energy: -507.993395 where: bonds (distance) C4'-P energy: -94.357 bonds (distance) P-C4' energy: -99.576 flat angles C4'-P-C4' energy: -115.485 flat angles P-C4'-P energy: -71.092 tors. eta vs tors. theta energy: -127.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1406.809354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.809354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.809354 (E_RNA) where: Base-Base interactions energy: -888.297 where: short stacking energy: -412.245 Base-Backbone interact. energy: -0.958 local terms energy: -517.554665 where: bonds (distance) C4'-P energy: -111.511 bonds (distance) P-C4' energy: -90.706 flat angles C4'-P-C4' energy: -120.679 flat angles P-C4'-P energy: -79.428 tors. eta vs tors. theta energy: -115.230 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: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1293.626042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.626042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.626042 (E_RNA) where: Base-Base interactions energy: -832.326 where: short stacking energy: -387.374 Base-Backbone interact. energy: 0.620 local terms energy: -461.920103 where: bonds (distance) C4'-P energy: -84.681 bonds (distance) P-C4' energy: -93.911 flat angles C4'-P-C4' energy: -119.237 flat angles P-C4'-P energy: -62.881 tors. eta vs tors. theta energy: -101.211 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: 10 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -909.355103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.355103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.355103 (E_RNA) where: Base-Base interactions energy: -510.654 where: short stacking energy: -278.469 Base-Backbone interact. energy: 0.823 local terms energy: -399.523481 where: bonds (distance) C4'-P energy: -90.269 bonds (distance) P-C4' energy: -102.632 flat angles C4'-P-C4' energy: -93.143 flat angles P-C4'-P energy: -63.785 tors. eta vs tors. theta energy: -49.695 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: 8 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -833.171357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.171357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.171357 (E_RNA) where: Base-Base interactions energy: -491.721 where: short stacking energy: -205.795 Base-Backbone interact. energy: -1.602 local terms energy: -339.848270 where: bonds (distance) C4'-P energy: -86.611 bonds (distance) P-C4' energy: -99.293 flat angles C4'-P-C4' energy: -77.878 flat angles P-C4'-P energy: -56.127 tors. eta vs tors. theta energy: -19.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -555.049113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.049113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.049113 (E_RNA) where: Base-Base interactions energy: -251.807 where: short stacking energy: -167.573 Base-Backbone interact. energy: 1.734 local terms energy: -304.976136 where: bonds (distance) C4'-P energy: -83.390 bonds (distance) P-C4' energy: -86.026 flat angles C4'-P-C4' energy: -93.472 flat angles P-C4'-P energy: -36.427 tors. eta vs tors. theta energy: -5.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -457.557539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.557539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.557539 (E_RNA) where: Base-Base interactions energy: -180.092 where: short stacking energy: -145.758 Base-Backbone interact. energy: 2.075 local terms energy: -279.541094 where: bonds (distance) C4'-P energy: -75.433 bonds (distance) P-C4' energy: -95.694 flat angles C4'-P-C4' energy: -80.690 flat angles P-C4'-P energy: -44.770 tors. eta vs tors. theta energy: 17.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1915.056524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.056524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.056524 (E_RNA) where: Base-Base interactions energy: -1300.339 where: short stacking energy: -555.419 Base-Backbone interact. energy: -2.898 local terms energy: -611.819626 where: bonds (distance) C4'-P energy: -112.444 bonds (distance) P-C4' energy: -110.790 flat angles C4'-P-C4' energy: -135.571 flat angles P-C4'-P energy: -84.943 tors. eta vs tors. theta energy: -168.073 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: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1710.130291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.130291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.130291 (E_RNA) where: Base-Base interactions energy: -1156.133 where: short stacking energy: -490.033 Base-Backbone interact. energy: -1.545 local terms energy: -552.451761 where: bonds (distance) C4'-P energy: -115.583 bonds (distance) P-C4' energy: -113.947 flat angles C4'-P-C4' energy: -108.066 flat angles P-C4'-P energy: -77.021 tors. eta vs tors. theta energy: -137.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1643.169330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.169330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.169330 (E_RNA) where: Base-Base interactions energy: -1098.212 where: short stacking energy: -466.282 Base-Backbone interact. energy: -3.830 local terms energy: -541.127501 where: bonds (distance) C4'-P energy: -100.579 bonds (distance) P-C4' energy: -107.450 flat angles C4'-P-C4' energy: -113.523 flat angles P-C4'-P energy: -76.493 tors. eta vs tors. theta energy: -143.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1541.057344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.057344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.057344 (E_RNA) where: Base-Base interactions energy: -1025.414 where: short stacking energy: -450.063 Base-Backbone interact. energy: -1.190 local terms energy: -514.453815 where: bonds (distance) C4'-P energy: -109.078 bonds (distance) P-C4' energy: -93.123 flat angles C4'-P-C4' energy: -124.391 flat angles P-C4'-P energy: -57.570 tors. eta vs tors. theta energy: -130.292 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: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1324.860996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.860996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.860996 (E_RNA) where: Base-Base interactions energy: -848.268 where: short stacking energy: -383.068 Base-Backbone interact. energy: 0.363 local terms energy: -476.956431 where: bonds (distance) C4'-P energy: -87.414 bonds (distance) P-C4' energy: -106.357 flat angles C4'-P-C4' energy: -106.135 flat angles P-C4'-P energy: -75.302 tors. eta vs tors. theta energy: -101.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1293.985104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.985104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.985104 (E_RNA) where: Base-Base interactions energy: -853.229 where: short stacking energy: -393.684 Base-Backbone interact. energy: -1.892 local terms energy: -438.863802 where: bonds (distance) C4'-P energy: -92.200 bonds (distance) P-C4' energy: -82.794 flat angles C4'-P-C4' energy: -105.783 flat angles P-C4'-P energy: -70.307 tors. eta vs tors. theta energy: -87.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -991.163294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.163294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.163294 (E_RNA) where: Base-Base interactions energy: -597.364 where: short stacking energy: -276.126 Base-Backbone interact. energy: 0.728 local terms energy: -394.527262 where: bonds (distance) C4'-P energy: -90.831 bonds (distance) P-C4' energy: -90.885 flat angles C4'-P-C4' energy: -103.392 flat angles P-C4'-P energy: -67.004 tors. eta vs tors. theta energy: -42.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -828.081191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.081191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.081191 (E_RNA) where: Base-Base interactions energy: -478.972 where: short stacking energy: -231.243 Base-Backbone interact. energy: -1.173 local terms energy: -347.936186 where: bonds (distance) C4'-P energy: -80.933 bonds (distance) P-C4' energy: -100.884 flat angles C4'-P-C4' energy: -94.559 flat angles P-C4'-P energy: -47.368 tors. eta vs tors. theta energy: -24.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -544.360314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.360314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.360314 (E_RNA) where: Base-Base interactions energy: -230.290 where: short stacking energy: -136.218 Base-Backbone interact. energy: 4.625 local terms energy: -318.695501 where: bonds (distance) C4'-P energy: -96.757 bonds (distance) P-C4' energy: -119.000 flat angles C4'-P-C4' energy: -76.076 flat angles P-C4'-P energy: -36.158 tors. eta vs tors. theta energy: 9.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -479.937635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.937635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.937635 (E_RNA) where: Base-Base interactions energy: -176.373 where: short stacking energy: -129.550 Base-Backbone interact. energy: -0.384 local terms energy: -303.180657 where: bonds (distance) C4'-P energy: -83.261 bonds (distance) P-C4' energy: -90.842 flat angles C4'-P-C4' energy: -79.683 flat angles P-C4'-P energy: -51.304 tors. eta vs tors. theta energy: 1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1908.343754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.343754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.343754 (E_RNA) where: Base-Base interactions energy: -1307.489 where: short stacking energy: -553.340 Base-Backbone interact. energy: -1.913 local terms energy: -598.941987 where: bonds (distance) C4'-P energy: -106.297 bonds (distance) P-C4' energy: -114.991 flat angles C4'-P-C4' energy: -130.149 flat angles P-C4'-P energy: -74.813 tors. eta vs tors. theta energy: -172.693 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: 2, replica: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1736.601049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.601049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.601049 (E_RNA) where: Base-Base interactions energy: -1192.013 where: short stacking energy: -506.270 Base-Backbone interact. energy: -1.863 local terms energy: -542.725268 where: bonds (distance) C4'-P energy: -89.340 bonds (distance) P-C4' energy: -116.259 flat angles C4'-P-C4' energy: -117.605 flat angles P-C4'-P energy: -72.345 tors. eta vs tors. theta energy: -147.176 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: 1 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1628.053626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.053626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.053626 (E_RNA) where: Base-Base interactions energy: -1088.849 where: short stacking energy: -482.518 Base-Backbone interact. energy: -2.901 local terms energy: -536.303625 where: bonds (distance) C4'-P energy: -95.293 bonds (distance) P-C4' energy: -112.672 flat angles C4'-P-C4' energy: -109.545 flat angles P-C4'-P energy: -77.952 tors. eta vs tors. theta energy: -140.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1523.538702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.538702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.538702 (E_RNA) where: Base-Base interactions energy: -988.500 where: short stacking energy: -442.037 Base-Backbone interact. energy: 1.191 local terms energy: -536.229496 where: bonds (distance) C4'-P energy: -90.578 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -120.582 flat angles P-C4'-P energy: -76.949 tors. eta vs tors. theta energy: -132.415 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: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1357.153395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.153395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.153395 (E_RNA) where: Base-Base interactions energy: -890.940 where: short stacking energy: -426.792 Base-Backbone interact. energy: -4.710 local terms energy: -461.503182 where: bonds (distance) C4'-P energy: -89.619 bonds (distance) P-C4' energy: -100.895 flat angles C4'-P-C4' energy: -100.236 flat angles P-C4'-P energy: -57.244 tors. eta vs tors. theta energy: -113.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1322.034635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.034635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.034635 (E_RNA) where: Base-Base interactions energy: -861.426 where: short stacking energy: -381.929 Base-Backbone interact. energy: -1.940 local terms energy: -458.668117 where: bonds (distance) C4'-P energy: -90.689 bonds (distance) P-C4' energy: -86.493 flat angles C4'-P-C4' energy: -115.763 flat angles P-C4'-P energy: -66.840 tors. eta vs tors. theta energy: -98.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1012.265567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.265567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.265567 (E_RNA) where: Base-Base interactions energy: -613.555 where: short stacking energy: -286.147 Base-Backbone interact. energy: -0.646 local terms energy: -398.064635 where: bonds (distance) C4'-P energy: -88.831 bonds (distance) P-C4' energy: -89.298 flat angles C4'-P-C4' energy: -101.135 flat angles P-C4'-P energy: -61.179 tors. eta vs tors. theta energy: -57.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -817.904046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.904046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.904046 (E_RNA) where: Base-Base interactions energy: -459.308 where: short stacking energy: -214.554 Base-Backbone interact. energy: -1.388 local terms energy: -357.208340 where: bonds (distance) C4'-P energy: -90.980 bonds (distance) P-C4' energy: -93.512 flat angles C4'-P-C4' energy: -88.496 flat angles P-C4'-P energy: -63.820 tors. eta vs tors. theta energy: -20.400 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: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -555.605312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.605312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.605312 (E_RNA) where: Base-Base interactions energy: -255.184 where: short stacking energy: -147.693 Base-Backbone interact. energy: -0.132 local terms energy: -300.289294 where: bonds (distance) C4'-P energy: -98.804 bonds (distance) P-C4' energy: -90.834 flat angles C4'-P-C4' energy: -77.545 flat angles P-C4'-P energy: -46.058 tors. eta vs tors. theta energy: 12.952 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: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -448.050508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.050508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.050508 (E_RNA) where: Base-Base interactions energy: -172.154 where: short stacking energy: -122.718 Base-Backbone interact. energy: 1.026 local terms energy: -276.922572 where: bonds (distance) C4'-P energy: -86.730 bonds (distance) P-C4' energy: -86.996 flat angles C4'-P-C4' energy: -73.426 flat angles P-C4'-P energy: -51.827 tors. eta vs tors. theta energy: 22.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1887.742264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.742264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.742264 (E_RNA) where: Base-Base interactions energy: -1300.962 where: short stacking energy: -545.134 Base-Backbone interact. energy: -2.291 local terms energy: -584.488761 where: bonds (distance) C4'-P energy: -103.972 bonds (distance) P-C4' energy: -103.660 flat angles C4'-P-C4' energy: -130.633 flat angles P-C4'-P energy: -78.051 tors. eta vs tors. theta energy: -168.172 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: 2, replica: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1719.655777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.655777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.655777 (E_RNA) where: Base-Base interactions energy: -1157.167 where: short stacking energy: -497.284 Base-Backbone interact. energy: 0.401 local terms energy: -562.889342 where: bonds (distance) C4'-P energy: -107.722 bonds (distance) P-C4' energy: -115.556 flat angles C4'-P-C4' energy: -123.551 flat angles P-C4'-P energy: -78.739 tors. eta vs tors. theta energy: -137.321 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: 1 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1618.191534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.191534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.191534 (E_RNA) where: Base-Base interactions energy: -1074.266 where: short stacking energy: -487.150 Base-Backbone interact. energy: -3.068 local terms energy: -540.857467 where: bonds (distance) C4'-P energy: -92.811 bonds (distance) P-C4' energy: -109.099 flat angles C4'-P-C4' energy: -128.562 flat angles P-C4'-P energy: -71.286 tors. eta vs tors. theta energy: -139.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1508.169821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.169821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.169821 (E_RNA) where: Base-Base interactions energy: -986.866 where: short stacking energy: -428.428 Base-Backbone interact. energy: -1.957 local terms energy: -519.346212 where: bonds (distance) C4'-P energy: -101.224 bonds (distance) P-C4' energy: -102.320 flat angles C4'-P-C4' energy: -116.731 flat angles P-C4'-P energy: -73.869 tors. eta vs tors. theta energy: -125.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1371.927957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.927957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.927957 (E_RNA) where: Base-Base interactions energy: -866.619 where: short stacking energy: -398.102 Base-Backbone interact. energy: -0.447 local terms energy: -504.862210 where: bonds (distance) C4'-P energy: -93.616 bonds (distance) P-C4' energy: -114.263 flat angles C4'-P-C4' energy: -96.700 flat angles P-C4'-P energy: -82.081 tors. eta vs tors. theta energy: -118.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1258.498385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.498385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.498385 (E_RNA) where: Base-Base interactions energy: -797.929 where: short stacking energy: -354.634 Base-Backbone interact. energy: -1.941 local terms energy: -458.627653 where: bonds (distance) C4'-P energy: -89.340 bonds (distance) P-C4' energy: -109.500 flat angles C4'-P-C4' energy: -104.858 flat angles P-C4'-P energy: -66.997 tors. eta vs tors. theta energy: -87.933 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: 7, replica: 8 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1029.063454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.063454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.063454 (E_RNA) where: Base-Base interactions energy: -639.295 where: short stacking energy: -289.374 Base-Backbone interact. energy: -2.327 local terms energy: -387.441363 where: bonds (distance) C4'-P energy: -83.953 bonds (distance) P-C4' energy: -94.925 flat angles C4'-P-C4' energy: -85.448 flat angles P-C4'-P energy: -65.236 tors. eta vs tors. theta energy: -57.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -774.970043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.970043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.970043 (E_RNA) where: Base-Base interactions energy: -435.988 where: short stacking energy: -209.057 Base-Backbone interact. energy: -0.364 local terms energy: -338.618321 where: bonds (distance) C4'-P energy: -85.639 bonds (distance) P-C4' energy: -109.905 flat angles C4'-P-C4' energy: -85.662 flat angles P-C4'-P energy: -52.373 tors. eta vs tors. theta energy: -5.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -587.981017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.981017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.981017 (E_RNA) where: Base-Base interactions energy: -250.810 where: short stacking energy: -158.152 Base-Backbone interact. energy: -2.583 local terms energy: -334.587711 where: bonds (distance) C4'-P energy: -110.037 bonds (distance) P-C4' energy: -96.361 flat angles C4'-P-C4' energy: -85.563 flat angles P-C4'-P energy: -38.467 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -414.862350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.862350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.862350 (E_RNA) where: Base-Base interactions energy: -117.740 where: short stacking energy: -100.736 Base-Backbone interact. energy: 7.130 local terms energy: -304.251810 where: bonds (distance) C4'-P energy: -106.792 bonds (distance) P-C4' energy: -106.660 flat angles C4'-P-C4' energy: -67.849 flat angles P-C4'-P energy: -50.191 tors. eta vs tors. theta energy: 27.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1903.431845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.431845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.431845 (E_RNA) where: Base-Base interactions energy: -1301.231 where: short stacking energy: -558.873 Base-Backbone interact. energy: 0.601 local terms energy: -602.802552 where: bonds (distance) C4'-P energy: -99.419 bonds (distance) P-C4' energy: -114.731 flat angles C4'-P-C4' energy: -128.894 flat angles P-C4'-P energy: -88.571 tors. eta vs tors. theta energy: -171.188 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: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1759.862591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.862591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.862591 (E_RNA) where: Base-Base interactions energy: -1194.808 where: short stacking energy: -512.632 Base-Backbone interact. energy: 0.190 local terms energy: -565.244880 where: bonds (distance) C4'-P energy: -115.442 bonds (distance) P-C4' energy: -112.875 flat angles C4'-P-C4' energy: -112.355 flat angles P-C4'-P energy: -74.226 tors. eta vs tors. theta energy: -150.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1640.167628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.167628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.167628 (E_RNA) where: Base-Base interactions energy: -1075.173 where: short stacking energy: -494.478 Base-Backbone interact. energy: -0.474 local terms energy: -564.520940 where: bonds (distance) C4'-P energy: -110.336 bonds (distance) P-C4' energy: -118.414 flat angles C4'-P-C4' energy: -110.094 flat angles P-C4'-P energy: -71.854 tors. eta vs tors. theta energy: -153.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1532.100145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.100145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.100145 (E_RNA) where: Base-Base interactions energy: -1005.928 where: short stacking energy: -444.476 Base-Backbone interact. energy: -0.757 local terms energy: -525.415637 where: bonds (distance) C4'-P energy: -100.038 bonds (distance) P-C4' energy: -109.801 flat angles C4'-P-C4' energy: -118.435 flat angles P-C4'-P energy: -69.811 tors. eta vs tors. theta energy: -127.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1333.897740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.897740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.897740 (E_RNA) where: Base-Base interactions energy: -878.628 where: short stacking energy: -373.285 Base-Backbone interact. energy: -1.513 local terms energy: -453.756453 where: bonds (distance) C4'-P energy: -93.049 bonds (distance) P-C4' energy: -102.684 flat angles C4'-P-C4' energy: -104.584 flat angles P-C4'-P energy: -62.090 tors. eta vs tors. theta energy: -91.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1285.316782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.316782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.316782 (E_RNA) where: Base-Base interactions energy: -816.361 where: short stacking energy: -345.993 Base-Backbone interact. energy: 2.093 local terms energy: -471.048840 where: bonds (distance) C4'-P energy: -101.788 bonds (distance) P-C4' energy: -110.496 flat angles C4'-P-C4' energy: -107.053 flat angles P-C4'-P energy: -64.368 tors. eta vs tors. theta energy: -87.344 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: 7, replica: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1019.448673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.448673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.448673 (E_RNA) where: Base-Base interactions energy: -619.409 where: short stacking energy: -271.048 Base-Backbone interact. energy: 1.401 local terms energy: -401.440289 where: bonds (distance) C4'-P energy: -93.504 bonds (distance) P-C4' energy: -99.047 flat angles C4'-P-C4' energy: -90.361 flat angles P-C4'-P energy: -54.158 tors. eta vs tors. theta energy: -64.371 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: 8, replica: 10 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -763.817225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.817225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.817225 (E_RNA) where: Base-Base interactions energy: -443.089 where: short stacking energy: -203.787 Base-Backbone interact. energy: 5.762 local terms energy: -326.489438 where: bonds (distance) C4'-P energy: -90.689 bonds (distance) P-C4' energy: -97.770 flat angles C4'-P-C4' energy: -86.580 flat angles P-C4'-P energy: -51.442 tors. eta vs tors. theta energy: -0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -554.899115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.899115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.899115 (E_RNA) where: Base-Base interactions energy: -252.646 where: short stacking energy: -146.725 Base-Backbone interact. energy: 3.022 local terms energy: -305.275770 where: bonds (distance) C4'-P energy: -83.281 bonds (distance) P-C4' energy: -104.002 flat angles C4'-P-C4' energy: -63.704 flat angles P-C4'-P energy: -49.782 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -436.325769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.325769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.325769 (E_RNA) where: Base-Base interactions energy: -184.679 where: short stacking energy: -123.548 Base-Backbone interact. energy: 2.476 local terms energy: -254.122605 where: bonds (distance) C4'-P energy: -80.501 bonds (distance) P-C4' energy: -90.334 flat angles C4'-P-C4' energy: -66.095 flat angles P-C4'-P energy: -34.735 tors. eta vs tors. theta energy: 17.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1899.334501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.334501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.334501 (E_RNA) where: Base-Base interactions energy: -1280.535 where: short stacking energy: -568.685 Base-Backbone interact. energy: -2.577 local terms energy: -616.222945 where: bonds (distance) C4'-P energy: -122.400 bonds (distance) P-C4' energy: -110.837 flat angles C4'-P-C4' energy: -122.586 flat angles P-C4'-P energy: -80.977 tors. eta vs tors. theta energy: -179.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1732.121044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.121044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.121044 (E_RNA) where: Base-Base interactions energy: -1158.850 where: short stacking energy: -493.034 Base-Backbone interact. energy: 0.178 local terms energy: -573.448672 where: bonds (distance) C4'-P energy: -110.273 bonds (distance) P-C4' energy: -115.730 flat angles C4'-P-C4' energy: -122.052 flat angles P-C4'-P energy: -77.574 tors. eta vs tors. theta energy: -147.820 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: 3, replica: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1566.049541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.049541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.049541 (E_RNA) where: Base-Base interactions energy: -1018.587 where: short stacking energy: -463.467 Base-Backbone interact. energy: -2.546 local terms energy: -544.916355 where: bonds (distance) C4'-P energy: -102.926 bonds (distance) P-C4' energy: -114.445 flat angles C4'-P-C4' energy: -107.033 flat angles P-C4'-P energy: -81.299 tors. eta vs tors. theta energy: -139.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1584.983696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.983696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.983696 (E_RNA) where: Base-Base interactions energy: -1050.938 where: short stacking energy: -491.311 Base-Backbone interact. energy: -4.206 local terms energy: -529.840434 where: bonds (distance) C4'-P energy: -96.295 bonds (distance) P-C4' energy: -103.826 flat angles C4'-P-C4' energy: -112.647 flat angles P-C4'-P energy: -60.244 tors. eta vs tors. theta energy: -156.828 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: 222 Temperature: 1.100000 Total energy: -1345.370120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.370120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.370120 (E_RNA) where: Base-Base interactions energy: -875.446 where: short stacking energy: -362.173 Base-Backbone interact. energy: -3.371 local terms energy: -466.553147 where: bonds (distance) C4'-P energy: -97.568 bonds (distance) P-C4' energy: -108.353 flat angles C4'-P-C4' energy: -105.893 flat angles P-C4'-P energy: -74.747 tors. eta vs tors. theta energy: -79.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1282.532224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.532224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.532224 (E_RNA) where: Base-Base interactions energy: -830.977 where: short stacking energy: -358.541 Base-Backbone interact. energy: 5.574 local terms energy: -457.129693 where: bonds (distance) C4'-P energy: -97.685 bonds (distance) P-C4' energy: -105.109 flat angles C4'-P-C4' energy: -102.136 flat angles P-C4'-P energy: -71.651 tors. eta vs tors. theta energy: -80.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1051.807053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.807053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.807053 (E_RNA) where: Base-Base interactions energy: -682.742 where: short stacking energy: -311.788 Base-Backbone interact. energy: -0.146 local terms energy: -368.919815 where: bonds (distance) C4'-P energy: -92.007 bonds (distance) P-C4' energy: -82.259 flat angles C4'-P-C4' energy: -91.470 flat angles P-C4'-P energy: -44.997 tors. eta vs tors. theta energy: -58.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -768.291146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.291146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.291146 (E_RNA) where: Base-Base interactions energy: -436.031 where: short stacking energy: -218.149 Base-Backbone interact. energy: 3.095 local terms energy: -335.355513 where: bonds (distance) C4'-P energy: -75.713 bonds (distance) P-C4' energy: -98.173 flat angles C4'-P-C4' energy: -88.340 flat angles P-C4'-P energy: -61.629 tors. eta vs tors. theta energy: -11.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -581.056425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.056425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.056425 (E_RNA) where: Base-Base interactions energy: -235.986 where: short stacking energy: -129.538 Base-Backbone interact. energy: -0.957 local terms energy: -344.112748 where: bonds (distance) C4'-P energy: -95.828 bonds (distance) P-C4' energy: -99.308 flat angles C4'-P-C4' energy: -95.175 flat angles P-C4'-P energy: -63.212 tors. eta vs tors. theta energy: 9.409 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: 10, replica: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -424.451065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.451065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.451065 (E_RNA) where: Base-Base interactions energy: -139.067 where: short stacking energy: -92.069 Base-Backbone interact. energy: 9.284 local terms energy: -294.667727 where: bonds (distance) C4'-P energy: -88.045 bonds (distance) P-C4' energy: -100.503 flat angles C4'-P-C4' energy: -81.334 flat angles P-C4'-P energy: -45.675 tors. eta vs tors. theta energy: 20.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1895.918383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.918383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.918383 (E_RNA) where: Base-Base interactions energy: -1295.541 where: short stacking energy: -559.531 Base-Backbone interact. energy: -2.918 local terms energy: -597.459502 where: bonds (distance) C4'-P energy: -101.965 bonds (distance) P-C4' energy: -118.183 flat angles C4'-P-C4' energy: -122.500 flat angles P-C4'-P energy: -89.459 tors. eta vs tors. theta energy: -165.353 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: 2, replica: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1726.240132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.240132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.240132 (E_RNA) where: Base-Base interactions energy: -1173.606 where: short stacking energy: -477.689 Base-Backbone interact. energy: -0.193 local terms energy: -552.441343 where: bonds (distance) C4'-P energy: -102.410 bonds (distance) P-C4' energy: -110.031 flat angles C4'-P-C4' energy: -122.774 flat angles P-C4'-P energy: -81.467 tors. eta vs tors. theta energy: -135.760 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: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1584.961777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.961777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.961777 (E_RNA) where: Base-Base interactions energy: -1052.933 where: short stacking energy: -471.849 Base-Backbone interact. energy: -1.280 local terms energy: -530.748457 where: bonds (distance) C4'-P energy: -103.143 bonds (distance) P-C4' energy: -110.843 flat angles C4'-P-C4' energy: -121.150 flat angles P-C4'-P energy: -71.293 tors. eta vs tors. theta energy: -124.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1498.625637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.625637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.625637 (E_RNA) where: Base-Base interactions energy: -1020.478 where: short stacking energy: -433.058 Base-Backbone interact. energy: -0.431 local terms energy: -477.717013 where: bonds (distance) C4'-P energy: -97.897 bonds (distance) P-C4' energy: -90.872 flat angles C4'-P-C4' energy: -97.743 flat angles P-C4'-P energy: -73.672 tors. eta vs tors. theta energy: -117.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1324.650647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.650647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.650647 (E_RNA) where: Base-Base interactions energy: -869.911 where: short stacking energy: -355.868 Base-Backbone interact. energy: 0.533 local terms energy: -455.273116 where: bonds (distance) C4'-P energy: -104.820 bonds (distance) P-C4' energy: -99.844 flat angles C4'-P-C4' energy: -108.330 flat angles P-C4'-P energy: -59.646 tors. eta vs tors. theta energy: -82.633 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: 6 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1153.489275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.489275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.489275 (E_RNA) where: Base-Base interactions energy: -738.190 where: short stacking energy: -315.262 Base-Backbone interact. energy: 1.048 local terms energy: -416.347551 where: bonds (distance) C4'-P energy: -90.645 bonds (distance) P-C4' energy: -107.751 flat angles C4'-P-C4' energy: -94.317 flat angles P-C4'-P energy: -47.065 tors. eta vs tors. theta energy: -76.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1025.951904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.951904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.951904 (E_RNA) where: Base-Base interactions energy: -620.945 where: short stacking energy: -305.541 Base-Backbone interact. energy: -3.966 local terms energy: -401.041670 where: bonds (distance) C4'-P energy: -86.722 bonds (distance) P-C4' energy: -96.522 flat angles C4'-P-C4' energy: -108.804 flat angles P-C4'-P energy: -52.092 tors. eta vs tors. theta energy: -56.902 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: 10 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -817.393596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.393596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.393596 (E_RNA) where: Base-Base interactions energy: -471.622 where: short stacking energy: -249.263 Base-Backbone interact. energy: 8.674 local terms energy: -354.445659 where: bonds (distance) C4'-P energy: -91.972 bonds (distance) P-C4' energy: -100.222 flat angles C4'-P-C4' energy: -78.807 flat angles P-C4'-P energy: -42.828 tors. eta vs tors. theta energy: -40.617 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: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -488.728716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.728716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.728716 (E_RNA) where: Base-Base interactions energy: -221.242 where: short stacking energy: -121.504 Base-Backbone interact. energy: 2.139 local terms energy: -269.626054 where: bonds (distance) C4'-P energy: -77.632 bonds (distance) P-C4' energy: -93.702 flat angles C4'-P-C4' energy: -67.211 flat angles P-C4'-P energy: -52.611 tors. eta vs tors. theta energy: 21.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -470.449340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.449340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.449340 (E_RNA) where: Base-Base interactions energy: -151.199 where: short stacking energy: -131.568 Base-Backbone interact. energy: 3.455 local terms energy: -322.705645 where: bonds (distance) C4'-P energy: -103.290 bonds (distance) P-C4' energy: -80.457 flat angles C4'-P-C4' energy: -83.769 flat angles P-C4'-P energy: -64.317 tors. eta vs tors. theta energy: 9.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1902.869760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.869760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.869760 (E_RNA) where: Base-Base interactions energy: -1305.407 where: short stacking energy: -551.811 Base-Backbone interact. energy: 1.294 local terms energy: -598.757130 where: bonds (distance) C4'-P energy: -116.344 bonds (distance) P-C4' energy: -111.538 flat angles C4'-P-C4' energy: -122.507 flat angles P-C4'-P energy: -86.268 tors. eta vs tors. theta energy: -162.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1730.571122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.571122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.571122 (E_RNA) where: Base-Base interactions energy: -1190.808 where: short stacking energy: -477.531 Base-Backbone interact. energy: -2.410 local terms energy: -537.353416 where: bonds (distance) C4'-P energy: -106.670 bonds (distance) P-C4' energy: -103.662 flat angles C4'-P-C4' energy: -117.023 flat angles P-C4'-P energy: -73.466 tors. eta vs tors. theta energy: -136.533 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: 3, replica: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1587.502772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.502772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.502772 (E_RNA) where: Base-Base interactions energy: -1039.683 where: short stacking energy: -473.924 Base-Backbone interact. energy: -1.861 local terms energy: -545.958055 where: bonds (distance) C4'-P energy: -108.516 bonds (distance) P-C4' energy: -113.992 flat angles C4'-P-C4' energy: -110.990 flat angles P-C4'-P energy: -68.710 tors. eta vs tors. theta energy: -143.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1515.118862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.118862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.118862 (E_RNA) where: Base-Base interactions energy: -1023.201 where: short stacking energy: -463.827 Base-Backbone interact. energy: -1.071 local terms energy: -490.847042 where: bonds (distance) C4'-P energy: -99.149 bonds (distance) P-C4' energy: -97.303 flat angles C4'-P-C4' energy: -114.374 flat angles P-C4'-P energy: -56.781 tors. eta vs tors. theta energy: -123.240 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: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1377.978849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.978849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.978849 (E_RNA) where: Base-Base interactions energy: -917.625 where: short stacking energy: -408.464 Base-Backbone interact. energy: -3.247 local terms energy: -457.107033 where: bonds (distance) C4'-P energy: -83.663 bonds (distance) P-C4' energy: -93.808 flat angles C4'-P-C4' energy: -114.623 flat angles P-C4'-P energy: -69.485 tors. eta vs tors. theta energy: -95.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1224.907190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.907190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.907190 (E_RNA) where: Base-Base interactions energy: -791.451 where: short stacking energy: -349.502 Base-Backbone interact. energy: -5.441 local terms energy: -428.015090 where: bonds (distance) C4'-P energy: -86.968 bonds (distance) P-C4' energy: -102.975 flat angles C4'-P-C4' energy: -101.739 flat angles P-C4'-P energy: -53.727 tors. eta vs tors. theta energy: -82.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1034.619520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.619520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.619520 (E_RNA) where: Base-Base interactions energy: -625.075 where: short stacking energy: -295.392 Base-Backbone interact. energy: 1.781 local terms energy: -411.324958 where: bonds (distance) C4'-P energy: -100.908 bonds (distance) P-C4' energy: -93.143 flat angles C4'-P-C4' energy: -90.636 flat angles P-C4'-P energy: -69.466 tors. eta vs tors. theta energy: -57.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -814.062426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.062426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.062426 (E_RNA) where: Base-Base interactions energy: -426.040 where: short stacking energy: -211.503 Base-Backbone interact. energy: -0.367 local terms energy: -387.655190 where: bonds (distance) C4'-P energy: -92.314 bonds (distance) P-C4' energy: -107.834 flat angles C4'-P-C4' energy: -92.034 flat angles P-C4'-P energy: -65.394 tors. eta vs tors. theta energy: -30.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -453.461394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.461394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.461394 (E_RNA) where: Base-Base interactions energy: -125.583 where: short stacking energy: -108.572 Base-Backbone interact. energy: 0.913 local terms energy: -328.790979 where: bonds (distance) C4'-P energy: -89.684 bonds (distance) P-C4' energy: -110.296 flat angles C4'-P-C4' energy: -88.354 flat angles P-C4'-P energy: -56.999 tors. eta vs tors. theta energy: 16.543 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: 10, replica: 9 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -485.861590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.861590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.861590 (E_RNA) where: Base-Base interactions energy: -212.640 where: short stacking energy: -132.111 Base-Backbone interact. energy: 11.880 local terms energy: -285.101942 where: bonds (distance) C4'-P energy: -84.709 bonds (distance) P-C4' energy: -92.897 flat angles C4'-P-C4' energy: -80.739 flat angles P-C4'-P energy: -48.251 tors. eta vs tors. theta energy: 21.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1864.397106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.397106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.397106 (E_RNA) where: Base-Base interactions energy: -1246.536 where: short stacking energy: -535.111 Base-Backbone interact. energy: -1.932 local terms energy: -615.928349 where: bonds (distance) C4'-P energy: -116.233 bonds (distance) P-C4' energy: -115.862 flat angles C4'-P-C4' energy: -127.338 flat angles P-C4'-P energy: -88.849 tors. eta vs tors. theta energy: -167.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1729.343229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.343229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.343229 (E_RNA) where: Base-Base interactions energy: -1174.251 where: short stacking energy: -477.485 Base-Backbone interact. energy: -3.452 local terms energy: -551.639840 where: bonds (distance) C4'-P energy: -109.796 bonds (distance) P-C4' energy: -120.447 flat angles C4'-P-C4' energy: -118.088 flat angles P-C4'-P energy: -69.794 tors. eta vs tors. theta energy: -133.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1595.665502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.665502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.665502 (E_RNA) where: Base-Base interactions energy: -1066.324 where: short stacking energy: -486.817 Base-Backbone interact. energy: -0.953 local terms energy: -528.389133 where: bonds (distance) C4'-P energy: -91.399 bonds (distance) P-C4' energy: -109.794 flat angles C4'-P-C4' energy: -110.247 flat angles P-C4'-P energy: -79.973 tors. eta vs tors. theta energy: -136.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1508.963852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.963852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.963852 (E_RNA) where: Base-Base interactions energy: -1001.192 where: short stacking energy: -447.288 Base-Backbone interact. energy: -1.840 local terms energy: -505.931995 where: bonds (distance) C4'-P energy: -98.933 bonds (distance) P-C4' energy: -102.996 flat angles C4'-P-C4' energy: -107.721 flat angles P-C4'-P energy: -67.207 tors. eta vs tors. theta energy: -129.075 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: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1345.317573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.317573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.317573 (E_RNA) where: Base-Base interactions energy: -865.748 where: short stacking energy: -392.062 Base-Backbone interact. energy: -0.806 local terms energy: -478.764215 where: bonds (distance) C4'-P energy: -98.082 bonds (distance) P-C4' energy: -109.857 flat angles C4'-P-C4' energy: -107.900 flat angles P-C4'-P energy: -65.378 tors. eta vs tors. theta energy: -97.548 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: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1200.066525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.066525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.066525 (E_RNA) where: Base-Base interactions energy: -760.215 where: short stacking energy: -350.667 Base-Backbone interact. energy: -0.265 local terms energy: -439.586417 where: bonds (distance) C4'-P energy: -90.082 bonds (distance) P-C4' energy: -88.544 flat angles C4'-P-C4' energy: -105.752 flat angles P-C4'-P energy: -59.534 tors. eta vs tors. theta energy: -95.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1022.689002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.689002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.689002 (E_RNA) where: Base-Base interactions energy: -649.309 where: short stacking energy: -299.088 Base-Backbone interact. energy: -0.552 local terms energy: -372.827908 where: bonds (distance) C4'-P energy: -72.205 bonds (distance) P-C4' energy: -82.850 flat angles C4'-P-C4' energy: -100.900 flat angles P-C4'-P energy: -65.808 tors. eta vs tors. theta energy: -51.065 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: 8, replica: 10 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -771.551524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.551524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.551524 (E_RNA) where: Base-Base interactions energy: -439.009 where: short stacking energy: -235.940 Base-Backbone interact. energy: 0.280 local terms energy: -332.822076 where: bonds (distance) C4'-P energy: -91.849 bonds (distance) P-C4' energy: -83.217 flat angles C4'-P-C4' energy: -89.124 flat angles P-C4'-P energy: -48.662 tors. eta vs tors. theta energy: -19.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -443.552535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.552535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.552535 (E_RNA) where: Base-Base interactions energy: -152.661 where: short stacking energy: -122.699 Base-Backbone interact. energy: -3.132 local terms energy: -287.759069 where: bonds (distance) C4'-P energy: -91.512 bonds (distance) P-C4' energy: -94.996 flat angles C4'-P-C4' energy: -82.133 flat angles P-C4'-P energy: -36.841 tors. eta vs tors. theta energy: 17.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -450.789959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.789959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.789959 (E_RNA) where: Base-Base interactions energy: -165.199 where: short stacking energy: -101.452 Base-Backbone interact. energy: -1.060 local terms energy: -284.531150 where: bonds (distance) C4'-P energy: -64.486 bonds (distance) P-C4' energy: -112.431 flat angles C4'-P-C4' energy: -79.552 flat angles P-C4'-P energy: -59.235 tors. eta vs tors. theta energy: 31.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1873.969582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.969582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.969582 (E_RNA) where: Base-Base interactions energy: -1291.517 where: short stacking energy: -539.502 Base-Backbone interact. energy: -2.115 local terms energy: -580.336827 where: bonds (distance) C4'-P energy: -104.870 bonds (distance) P-C4' energy: -98.676 flat angles C4'-P-C4' energy: -123.460 flat angles P-C4'-P energy: -89.085 tors. eta vs tors. theta energy: -164.247 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: 3 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1709.994245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.994245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.994245 (E_RNA) where: Base-Base interactions energy: -1161.926 where: short stacking energy: -482.651 Base-Backbone interact. energy: 1.901 local terms energy: -549.969191 where: bonds (distance) C4'-P energy: -103.390 bonds (distance) P-C4' energy: -110.390 flat angles C4'-P-C4' energy: -126.909 flat angles P-C4'-P energy: -76.982 tors. eta vs tors. theta energy: -132.298 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: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1603.918435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.918435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.918435 (E_RNA) where: Base-Base interactions energy: -1080.288 where: short stacking energy: -481.520 Base-Backbone interact. energy: -0.587 local terms energy: -523.043420 where: bonds (distance) C4'-P energy: -103.617 bonds (distance) P-C4' energy: -85.182 flat angles C4'-P-C4' energy: -123.371 flat angles P-C4'-P energy: -74.882 tors. eta vs tors. theta energy: -135.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1509.818279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.818279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.818279 (E_RNA) where: Base-Base interactions energy: -982.780 where: short stacking energy: -446.440 Base-Backbone interact. energy: -1.438 local terms energy: -525.600302 where: bonds (distance) C4'-P energy: -102.370 bonds (distance) P-C4' energy: -115.458 flat angles C4'-P-C4' energy: -115.102 flat angles P-C4'-P energy: -62.778 tors. eta vs tors. theta energy: -129.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1416.153220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.153220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.153220 (E_RNA) where: Base-Base interactions energy: -929.436 where: short stacking energy: -411.259 Base-Backbone interact. energy: -2.320 local terms energy: -484.397963 where: bonds (distance) C4'-P energy: -84.543 bonds (distance) P-C4' energy: -113.573 flat angles C4'-P-C4' energy: -102.794 flat angles P-C4'-P energy: -70.553 tors. eta vs tors. theta energy: -112.936 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: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1237.642312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.642312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.642312 (E_RNA) where: Base-Base interactions energy: -763.948 where: short stacking energy: -343.877 Base-Backbone interact. energy: 2.342 local terms energy: -476.037076 where: bonds (distance) C4'-P energy: -113.495 bonds (distance) P-C4' energy: -109.438 flat angles C4'-P-C4' energy: -114.793 flat angles P-C4'-P energy: -60.908 tors. eta vs tors. theta energy: -77.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1008.445403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.445403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.445403 (E_RNA) where: Base-Base interactions energy: -615.149 where: short stacking energy: -281.442 Base-Backbone interact. energy: 4.123 local terms energy: -397.419152 where: bonds (distance) C4'-P energy: -99.737 bonds (distance) P-C4' energy: -106.261 flat angles C4'-P-C4' energy: -93.294 flat angles P-C4'-P energy: -47.407 tors. eta vs tors. theta energy: -50.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -762.269652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.269652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.269652 (E_RNA) where: Base-Base interactions energy: -405.984 where: short stacking energy: -223.298 Base-Backbone interact. energy: -3.335 local terms energy: -352.951509 where: bonds (distance) C4'-P energy: -99.948 bonds (distance) P-C4' energy: -87.958 flat angles C4'-P-C4' energy: -88.038 flat angles P-C4'-P energy: -61.355 tors. eta vs tors. theta energy: -15.652 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: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -470.792268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.792268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.792268 (E_RNA) where: Base-Base interactions energy: -221.217 where: short stacking energy: -139.959 Base-Backbone interact. energy: 4.623 local terms energy: -254.198764 where: bonds (distance) C4'-P energy: -84.354 bonds (distance) P-C4' energy: -95.314 flat angles C4'-P-C4' energy: -67.218 flat angles P-C4'-P energy: -39.787 tors. eta vs tors. theta energy: 32.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -421.058799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.058799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.058799 (E_RNA) where: Base-Base interactions energy: -137.454 where: short stacking energy: -111.693 Base-Backbone interact. energy: -2.394 local terms energy: -281.211223 where: bonds (distance) C4'-P energy: -94.924 bonds (distance) P-C4' energy: -96.208 flat angles C4'-P-C4' energy: -75.615 flat angles P-C4'-P energy: -36.814 tors. eta vs tors. theta energy: 22.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1880.939718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.939718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.939718 (E_RNA) where: Base-Base interactions energy: -1263.237 where: short stacking energy: -556.808 Base-Backbone interact. energy: 0.989 local terms energy: -618.691863 where: bonds (distance) C4'-P energy: -113.318 bonds (distance) P-C4' energy: -110.618 flat angles C4'-P-C4' energy: -133.532 flat angles P-C4'-P energy: -90.393 tors. eta vs tors. theta energy: -170.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1708.582770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.582770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.582770 (E_RNA) where: Base-Base interactions energy: -1163.421 where: short stacking energy: -486.579 Base-Backbone interact. energy: -3.101 local terms energy: -542.060766 where: bonds (distance) C4'-P energy: -99.484 bonds (distance) P-C4' energy: -116.711 flat angles C4'-P-C4' energy: -112.145 flat angles P-C4'-P energy: -78.288 tors. eta vs tors. theta energy: -135.433 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: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1612.526417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.526417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.526417 (E_RNA) where: Base-Base interactions energy: -1048.419 where: short stacking energy: -473.392 Base-Backbone interact. energy: -1.436 local terms energy: -562.671982 where: bonds (distance) C4'-P energy: -112.103 bonds (distance) P-C4' energy: -113.692 flat angles C4'-P-C4' energy: -106.474 flat angles P-C4'-P energy: -82.121 tors. eta vs tors. theta energy: -148.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1525.554693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.554693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.554693 (E_RNA) where: Base-Base interactions energy: -1006.367 where: short stacking energy: -435.935 Base-Backbone interact. energy: -2.996 local terms energy: -516.192169 where: bonds (distance) C4'-P energy: -110.606 bonds (distance) P-C4' energy: -114.628 flat angles C4'-P-C4' energy: -99.667 flat angles P-C4'-P energy: -67.829 tors. eta vs tors. theta energy: -123.462 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: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1396.891231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.891231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.891231 (E_RNA) where: Base-Base interactions energy: -909.400 where: short stacking energy: -402.505 Base-Backbone interact. energy: -3.956 local terms energy: -483.535967 where: bonds (distance) C4'-P energy: -88.047 bonds (distance) P-C4' energy: -108.467 flat angles C4'-P-C4' energy: -104.613 flat angles P-C4'-P energy: -72.842 tors. eta vs tors. theta energy: -109.568 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: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1219.970100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.970100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.970100 (E_RNA) where: Base-Base interactions energy: -767.076 where: short stacking energy: -346.099 Base-Backbone interact. energy: -2.807 local terms energy: -450.086213 where: bonds (distance) C4'-P energy: -98.218 bonds (distance) P-C4' energy: -106.915 flat angles C4'-P-C4' energy: -106.914 flat angles P-C4'-P energy: -54.718 tors. eta vs tors. theta energy: -83.321 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: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1006.328249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.328249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.328249 (E_RNA) where: Base-Base interactions energy: -613.289 where: short stacking energy: -295.423 Base-Backbone interact. energy: -4.160 local terms energy: -388.878728 where: bonds (distance) C4'-P energy: -91.562 bonds (distance) P-C4' energy: -93.125 flat angles C4'-P-C4' energy: -87.328 flat angles P-C4'-P energy: -51.936 tors. eta vs tors. theta energy: -64.928 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: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -754.215353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.215353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.215353 (E_RNA) where: Base-Base interactions energy: -409.283 where: short stacking energy: -221.391 Base-Backbone interact. energy: -2.945 local terms energy: -341.987646 where: bonds (distance) C4'-P energy: -87.865 bonds (distance) P-C4' energy: -100.430 flat angles C4'-P-C4' energy: -96.063 flat angles P-C4'-P energy: -38.322 tors. eta vs tors. theta energy: -19.307 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: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -475.527665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.527665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.527665 (E_RNA) where: Base-Base interactions energy: -193.617 where: short stacking energy: -138.244 Base-Backbone interact. energy: 0.945 local terms energy: -282.855864 where: bonds (distance) C4'-P energy: -92.377 bonds (distance) P-C4' energy: -96.036 flat angles C4'-P-C4' energy: -69.423 flat angles P-C4'-P energy: -28.761 tors. eta vs tors. theta energy: 3.741 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: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -439.629782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.629782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.629782 (E_RNA) where: Base-Base interactions energy: -182.454 where: short stacking energy: -124.862 Base-Backbone interact. energy: 3.424 local terms energy: -260.600129 where: bonds (distance) C4'-P energy: -79.079 bonds (distance) P-C4' energy: -93.880 flat angles C4'-P-C4' energy: -71.978 flat angles P-C4'-P energy: -36.523 tors. eta vs tors. theta energy: 20.861 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: 1, replica: 7 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1893.909739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.909739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.909739 (E_RNA) where: Base-Base interactions energy: -1290.113 where: short stacking energy: -555.148 Base-Backbone interact. energy: -2.466 local terms energy: -601.329839 where: bonds (distance) C4'-P energy: -108.155 bonds (distance) P-C4' energy: -117.410 flat angles C4'-P-C4' energy: -123.815 flat angles P-C4'-P energy: -83.893 tors. eta vs tors. theta energy: -168.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1714.806509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.806509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.806509 (E_RNA) where: Base-Base interactions energy: -1161.057 where: short stacking energy: -496.200 Base-Backbone interact. energy: -1.162 local terms energy: -552.587702 where: bonds (distance) C4'-P energy: -111.905 bonds (distance) P-C4' energy: -101.791 flat angles C4'-P-C4' energy: -120.427 flat angles P-C4'-P energy: -73.011 tors. eta vs tors. theta energy: -145.452 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: 5 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1618.231369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.231369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.231369 (E_RNA) where: Base-Base interactions energy: -1069.773 where: short stacking energy: -483.328 Base-Backbone interact. energy: -3.253 local terms energy: -545.205846 where: bonds (distance) C4'-P energy: -95.892 bonds (distance) P-C4' energy: -101.979 flat angles C4'-P-C4' energy: -125.718 flat angles P-C4'-P energy: -75.881 tors. eta vs tors. theta energy: -145.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1450.785136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.785136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.785136 (E_RNA) where: Base-Base interactions energy: -967.987 where: short stacking energy: -426.300 Base-Backbone interact. energy: 1.373 local terms energy: -484.171317 where: bonds (distance) C4'-P energy: -86.986 bonds (distance) P-C4' energy: -104.889 flat angles C4'-P-C4' energy: -103.486 flat angles P-C4'-P energy: -71.777 tors. eta vs tors. theta energy: -117.033 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: 228 Temperature: 1.100000 Total energy: -1392.149540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.149540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.149540 (E_RNA) where: Base-Base interactions energy: -933.004 where: short stacking energy: -407.386 Base-Backbone interact. energy: -0.371 local terms energy: -458.774664 where: bonds (distance) C4'-P energy: -94.856 bonds (distance) P-C4' energy: -101.866 flat angles C4'-P-C4' energy: -103.210 flat angles P-C4'-P energy: -61.137 tors. eta vs tors. theta energy: -97.706 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: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1201.096967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.096967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.096967 (E_RNA) where: Base-Base interactions energy: -767.427 where: short stacking energy: -363.753 Base-Backbone interact. energy: -0.854 local terms energy: -432.816622 where: bonds (distance) C4'-P energy: -92.446 bonds (distance) P-C4' energy: -85.409 flat angles C4'-P-C4' energy: -106.503 flat angles P-C4'-P energy: -75.281 tors. eta vs tors. theta energy: -73.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -971.643267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.643267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.643267 (E_RNA) where: Base-Base interactions energy: -600.420 where: short stacking energy: -297.891 Base-Backbone interact. energy: 2.236 local terms energy: -373.458924 where: bonds (distance) C4'-P energy: -95.092 bonds (distance) P-C4' energy: -79.831 flat angles C4'-P-C4' energy: -101.742 flat angles P-C4'-P energy: -42.425 tors. eta vs tors. theta energy: -54.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -752.998322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.998322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.998322 (E_RNA) where: Base-Base interactions energy: -395.756 where: short stacking energy: -210.808 Base-Backbone interact. energy: -0.241 local terms energy: -357.001191 where: bonds (distance) C4'-P energy: -96.721 bonds (distance) P-C4' energy: -91.819 flat angles C4'-P-C4' energy: -98.578 flat angles P-C4'-P energy: -54.033 tors. eta vs tors. theta energy: -15.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -509.086621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.086621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.086621 (E_RNA) where: Base-Base interactions energy: -200.434 where: short stacking energy: -156.536 Base-Backbone interact. energy: -0.772 local terms energy: -307.880221 where: bonds (distance) C4'-P energy: -73.671 bonds (distance) P-C4' energy: -100.667 flat angles C4'-P-C4' energy: -89.597 flat angles P-C4'-P energy: -45.620 tors. eta vs tors. theta energy: 1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -440.240250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.240250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.240250 (E_RNA) where: Base-Base interactions energy: -131.752 where: short stacking energy: -99.447 Base-Backbone interact. energy: -0.251 local terms energy: -308.237079 where: bonds (distance) C4'-P energy: -87.827 bonds (distance) P-C4' energy: -98.055 flat angles C4'-P-C4' energy: -101.956 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: 36.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1873.861518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.861518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.861518 (E_RNA) where: Base-Base interactions energy: -1284.933 where: short stacking energy: -555.446 Base-Backbone interact. energy: -0.368 local terms energy: -588.561074 where: bonds (distance) C4'-P energy: -103.651 bonds (distance) P-C4' energy: -110.847 flat angles C4'-P-C4' energy: -124.816 flat angles P-C4'-P energy: -83.806 tors. eta vs tors. theta energy: -165.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1750.325945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.325945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.325945 (E_RNA) where: Base-Base interactions energy: -1203.112 where: short stacking energy: -488.445 Base-Backbone interact. energy: -3.307 local terms energy: -543.907182 where: bonds (distance) C4'-P energy: -107.977 bonds (distance) P-C4' energy: -112.739 flat angles C4'-P-C4' energy: -125.838 flat angles P-C4'-P energy: -58.723 tors. eta vs tors. theta energy: -138.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1605.418281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.418281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.418281 (E_RNA) where: Base-Base interactions energy: -1060.325 where: short stacking energy: -478.214 Base-Backbone interact. energy: -0.003 local terms energy: -545.090307 where: bonds (distance) C4'-P energy: -109.122 bonds (distance) P-C4' energy: -97.850 flat angles C4'-P-C4' energy: -121.766 flat angles P-C4'-P energy: -85.367 tors. eta vs tors. theta energy: -130.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1455.269357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.269357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.269357 (E_RNA) where: Base-Base interactions energy: -941.794 where: short stacking energy: -447.932 Base-Backbone interact. energy: -0.804 local terms energy: -512.671145 where: bonds (distance) C4'-P energy: -97.510 bonds (distance) P-C4' energy: -104.892 flat angles C4'-P-C4' energy: -111.305 flat angles P-C4'-P energy: -68.514 tors. eta vs tors. theta energy: -130.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1398.763083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.763083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.763083 (E_RNA) where: Base-Base interactions energy: -904.455 where: short stacking energy: -419.758 Base-Backbone interact. energy: -1.633 local terms energy: -492.675194 where: bonds (distance) C4'-P energy: -105.298 bonds (distance) P-C4' energy: -113.861 flat angles C4'-P-C4' energy: -111.067 flat angles P-C4'-P energy: -56.925 tors. eta vs tors. theta energy: -105.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1216.439002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.439002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.439002 (E_RNA) where: Base-Base interactions energy: -775.759 where: short stacking energy: -351.440 Base-Backbone interact. energy: -1.985 local terms energy: -438.695205 where: bonds (distance) C4'-P energy: -95.665 bonds (distance) P-C4' energy: -85.965 flat angles C4'-P-C4' energy: -99.197 flat angles P-C4'-P energy: -70.982 tors. eta vs tors. theta energy: -86.885 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: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -981.133629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.133629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.133629 (E_RNA) where: Base-Base interactions energy: -596.612 where: short stacking energy: -280.776 Base-Backbone interact. energy: 2.163 local terms energy: -386.684220 where: bonds (distance) C4'-P energy: -83.370 bonds (distance) P-C4' energy: -100.294 flat angles C4'-P-C4' energy: -83.875 flat angles P-C4'-P energy: -62.501 tors. eta vs tors. theta energy: -56.644 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: 10 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -808.136311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.136311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.136311 (E_RNA) where: Base-Base interactions energy: -452.160 where: short stacking energy: -236.802 Base-Backbone interact. energy: 4.178 local terms energy: -360.153754 where: bonds (distance) C4'-P energy: -91.256 bonds (distance) P-C4' energy: -88.534 flat angles C4'-P-C4' energy: -90.771 flat angles P-C4'-P energy: -55.623 tors. eta vs tors. theta energy: -33.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -492.478070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.478070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.478070 (E_RNA) where: Base-Base interactions energy: -176.095 where: short stacking energy: -118.915 Base-Backbone interact. energy: -1.076 local terms energy: -315.307496 where: bonds (distance) C4'-P energy: -82.798 bonds (distance) P-C4' energy: -99.107 flat angles C4'-P-C4' energy: -71.052 flat angles P-C4'-P energy: -76.020 tors. eta vs tors. theta energy: 13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -402.262684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.262684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.262684 (E_RNA) where: Base-Base interactions energy: -124.790 where: short stacking energy: -118.064 Base-Backbone interact. energy: 8.810 local terms energy: -286.283314 where: bonds (distance) C4'-P energy: -93.256 bonds (distance) P-C4' energy: -93.047 flat angles C4'-P-C4' energy: -76.069 flat angles P-C4'-P energy: -37.660 tors. eta vs tors. theta energy: 13.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1846.652539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.652539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.652539 (E_RNA) where: Base-Base interactions energy: -1255.468 where: short stacking energy: -547.188 Base-Backbone interact. energy: -3.520 local terms energy: -587.665155 where: bonds (distance) C4'-P energy: -107.863 bonds (distance) P-C4' energy: -110.581 flat angles C4'-P-C4' energy: -124.524 flat angles P-C4'-P energy: -85.544 tors. eta vs tors. theta energy: -159.152 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: 3 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1737.638446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.638446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.638446 (E_RNA) where: Base-Base interactions energy: -1199.001 where: short stacking energy: -485.416 Base-Backbone interact. energy: -3.151 local terms energy: -535.487227 where: bonds (distance) C4'-P energy: -99.974 bonds (distance) P-C4' energy: -99.469 flat angles C4'-P-C4' energy: -124.324 flat angles P-C4'-P energy: -81.068 tors. eta vs tors. theta energy: -130.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1613.417676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.417676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.417676 (E_RNA) where: Base-Base interactions energy: -1042.888 where: short stacking energy: -469.258 Base-Backbone interact. energy: 1.494 local terms energy: -572.024205 where: bonds (distance) C4'-P energy: -116.151 bonds (distance) P-C4' energy: -116.896 flat angles C4'-P-C4' energy: -119.403 flat angles P-C4'-P energy: -80.746 tors. eta vs tors. theta energy: -138.828 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: 1 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1461.106040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.106040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.106040 (E_RNA) where: Base-Base interactions energy: -964.087 where: short stacking energy: -449.413 Base-Backbone interact. energy: -0.179 local terms energy: -496.839944 where: bonds (distance) C4'-P energy: -94.653 bonds (distance) P-C4' energy: -109.238 flat angles C4'-P-C4' energy: -109.938 flat angles P-C4'-P energy: -63.375 tors. eta vs tors. theta energy: -119.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1356.639463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.639463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.639463 (E_RNA) where: Base-Base interactions energy: -903.462 where: short stacking energy: -377.386 Base-Backbone interact. energy: 0.396 local terms energy: -453.573241 where: bonds (distance) C4'-P energy: -91.836 bonds (distance) P-C4' energy: -91.795 flat angles C4'-P-C4' energy: -114.108 flat angles P-C4'-P energy: -72.731 tors. eta vs tors. theta energy: -83.103 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: 6 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1250.233436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.233436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.233436 (E_RNA) where: Base-Base interactions energy: -798.535 where: short stacking energy: -354.198 Base-Backbone interact. energy: -0.226 local terms energy: -451.472283 where: bonds (distance) C4'-P energy: -92.680 bonds (distance) P-C4' energy: -98.022 flat angles C4'-P-C4' energy: -97.528 flat angles P-C4'-P energy: -67.336 tors. eta vs tors. theta energy: -95.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -988.781405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.781405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.781405 (E_RNA) where: Base-Base interactions energy: -586.096 where: short stacking energy: -283.069 Base-Backbone interact. energy: -3.001 local terms energy: -399.684202 where: bonds (distance) C4'-P energy: -82.449 bonds (distance) P-C4' energy: -91.926 flat angles C4'-P-C4' energy: -114.941 flat angles P-C4'-P energy: -56.591 tors. eta vs tors. theta energy: -53.778 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: 230 Temperature: 1.250000 Total energy: -830.972937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.972937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.972937 (E_RNA) where: Base-Base interactions energy: -455.540 where: short stacking energy: -234.038 Base-Backbone interact. energy: 5.926 local terms energy: -381.358393 where: bonds (distance) C4'-P energy: -101.748 bonds (distance) P-C4' energy: -99.811 flat angles C4'-P-C4' energy: -104.257 flat angles P-C4'-P energy: -50.034 tors. eta vs tors. theta energy: -25.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -472.431626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.431626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.431626 (E_RNA) where: Base-Base interactions energy: -151.012 where: short stacking energy: -130.957 Base-Backbone interact. energy: -2.825 local terms energy: -318.595382 where: bonds (distance) C4'-P energy: -87.282 bonds (distance) P-C4' energy: -99.932 flat angles C4'-P-C4' energy: -87.518 flat angles P-C4'-P energy: -56.117 tors. eta vs tors. theta energy: 12.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -442.822385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.822385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.822385 (E_RNA) where: Base-Base interactions energy: -166.294 where: short stacking energy: -121.207 Base-Backbone interact. energy: 4.569 local terms energy: -281.097515 where: bonds (distance) C4'-P energy: -91.873 bonds (distance) P-C4' energy: -97.709 flat angles C4'-P-C4' energy: -51.605 flat angles P-C4'-P energy: -48.815 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: 7 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1845.108733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.108733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.108733 (E_RNA) where: Base-Base interactions energy: -1258.195 where: short stacking energy: -519.861 Base-Backbone interact. energy: 4.864 local terms energy: -591.778061 where: bonds (distance) C4'-P energy: -105.109 bonds (distance) P-C4' energy: -125.160 flat angles C4'-P-C4' energy: -126.233 flat angles P-C4'-P energy: -82.701 tors. eta vs tors. theta energy: -152.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1727.158440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.158440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.158440 (E_RNA) where: Base-Base interactions energy: -1175.287 where: short stacking energy: -478.682 Base-Backbone interact. energy: 2.151 local terms energy: -554.022723 where: bonds (distance) C4'-P energy: -105.111 bonds (distance) P-C4' energy: -113.284 flat angles C4'-P-C4' energy: -120.276 flat angles P-C4'-P energy: -75.570 tors. eta vs tors. theta energy: -139.782 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: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1556.535495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.535495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.535495 (E_RNA) where: Base-Base interactions energy: -1034.309 where: short stacking energy: -430.105 Base-Backbone interact. energy: 1.083 local terms energy: -523.308876 where: bonds (distance) C4'-P energy: -109.897 bonds (distance) P-C4' energy: -105.732 flat angles C4'-P-C4' energy: -122.081 flat angles P-C4'-P energy: -69.798 tors. eta vs tors. theta energy: -115.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1452.332717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.332717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.332717 (E_RNA) where: Base-Base interactions energy: -954.075 where: short stacking energy: -412.193 Base-Backbone interact. energy: 3.621 local terms energy: -501.879549 where: bonds (distance) C4'-P energy: -96.025 bonds (distance) P-C4' energy: -118.897 flat angles C4'-P-C4' energy: -107.916 flat angles P-C4'-P energy: -70.360 tors. eta vs tors. theta energy: -108.681 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: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1367.743957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.743957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.743957 (E_RNA) where: Base-Base interactions energy: -900.921 where: short stacking energy: -385.572 Base-Backbone interact. energy: -1.913 local terms energy: -464.910777 where: bonds (distance) C4'-P energy: -102.869 bonds (distance) P-C4' energy: -105.754 flat angles C4'-P-C4' energy: -100.305 flat angles P-C4'-P energy: -59.320 tors. eta vs tors. theta energy: -96.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1204.425433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.425433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.425433 (E_RNA) where: Base-Base interactions energy: -772.036 where: short stacking energy: -371.749 Base-Backbone interact. energy: 2.103 local terms energy: -434.492455 where: bonds (distance) C4'-P energy: -88.146 bonds (distance) P-C4' energy: -98.689 flat angles C4'-P-C4' energy: -107.010 flat angles P-C4'-P energy: -54.107 tors. eta vs tors. theta energy: -86.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1004.754334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.754334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.754334 (E_RNA) where: Base-Base interactions energy: -580.564 where: short stacking energy: -273.728 Base-Backbone interact. energy: -1.692 local terms energy: -422.498510 where: bonds (distance) C4'-P energy: -101.355 bonds (distance) P-C4' energy: -104.403 flat angles C4'-P-C4' energy: -98.826 flat angles P-C4'-P energy: -64.047 tors. eta vs tors. theta energy: -53.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -804.514361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.514361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.514361 (E_RNA) where: Base-Base interactions energy: -424.603 where: short stacking energy: -210.204 Base-Backbone interact. energy: 0.696 local terms energy: -380.607045 where: bonds (distance) C4'-P energy: -92.122 bonds (distance) P-C4' energy: -108.736 flat angles C4'-P-C4' energy: -96.971 flat angles P-C4'-P energy: -64.165 tors. eta vs tors. theta energy: -18.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -453.511935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.511935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.511935 (E_RNA) where: Base-Base interactions energy: -163.624 where: short stacking energy: -130.968 Base-Backbone interact. energy: 6.317 local terms energy: -296.205286 where: bonds (distance) C4'-P energy: -95.151 bonds (distance) P-C4' energy: -89.421 flat angles C4'-P-C4' energy: -78.307 flat angles P-C4'-P energy: -52.493 tors. eta vs tors. theta energy: 19.166 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: 231 Temperature: 1.350000 Total energy: -408.745957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.745957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.745957 (E_RNA) where: Base-Base interactions energy: -115.319 where: short stacking energy: -100.372 Base-Backbone interact. energy: 2.503 local terms energy: -295.930683 where: bonds (distance) C4'-P energy: -91.255 bonds (distance) P-C4' energy: -97.525 flat angles C4'-P-C4' energy: -80.249 flat angles P-C4'-P energy: -45.043 tors. eta vs tors. theta energy: 18.140 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: 7 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1856.237184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.237184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.237184 (E_RNA) where: Base-Base interactions energy: -1287.826 where: short stacking energy: -540.647 Base-Backbone interact. energy: -0.542 local terms energy: -567.869557 where: bonds (distance) C4'-P energy: -102.336 bonds (distance) P-C4' energy: -109.318 flat angles C4'-P-C4' energy: -113.728 flat angles P-C4'-P energy: -81.241 tors. eta vs tors. theta energy: -161.247 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: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1762.599789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.599789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.599789 (E_RNA) where: Base-Base interactions energy: -1215.518 where: short stacking energy: -485.180 Base-Backbone interact. energy: 4.161 local terms energy: -551.242977 where: bonds (distance) C4'-P energy: -108.824 bonds (distance) P-C4' energy: -106.321 flat angles C4'-P-C4' energy: -123.496 flat angles P-C4'-P energy: -73.956 tors. eta vs tors. theta energy: -138.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1563.939622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.939622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.939622 (E_RNA) where: Base-Base interactions energy: -1026.140 where: short stacking energy: -462.791 Base-Backbone interact. energy: -0.671 local terms energy: -537.128873 where: bonds (distance) C4'-P energy: -116.594 bonds (distance) P-C4' energy: -110.457 flat angles C4'-P-C4' energy: -119.970 flat angles P-C4'-P energy: -65.780 tors. eta vs tors. theta energy: -124.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1490.505924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.505924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.505924 (E_RNA) where: Base-Base interactions energy: -974.769 where: short stacking energy: -456.395 Base-Backbone interact. energy: -3.597 local terms energy: -512.140236 where: bonds (distance) C4'-P energy: -106.720 bonds (distance) P-C4' energy: -91.851 flat angles C4'-P-C4' energy: -104.813 flat angles P-C4'-P energy: -74.836 tors. eta vs tors. theta energy: -133.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1431.681686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.681686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.681686 (E_RNA) where: Base-Base interactions energy: -946.409 where: short stacking energy: -412.077 Base-Backbone interact. energy: -1.752 local terms energy: -483.521012 where: bonds (distance) C4'-P energy: -90.475 bonds (distance) P-C4' energy: -109.637 flat angles C4'-P-C4' energy: -113.397 flat angles P-C4'-P energy: -66.572 tors. eta vs tors. theta energy: -103.440 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: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1235.719694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.719694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.719694 (E_RNA) where: Base-Base interactions energy: -792.161 where: short stacking energy: -347.293 Base-Backbone interact. energy: 0.210 local terms energy: -443.768718 where: bonds (distance) C4'-P energy: -94.994 bonds (distance) P-C4' energy: -103.649 flat angles C4'-P-C4' energy: -96.788 flat angles P-C4'-P energy: -58.119 tors. eta vs tors. theta energy: -90.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1042.955273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.955273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.955273 (E_RNA) where: Base-Base interactions energy: -647.726 where: short stacking energy: -302.674 Base-Backbone interact. energy: 0.705 local terms energy: -395.934446 where: bonds (distance) C4'-P energy: -87.647 bonds (distance) P-C4' energy: -94.578 flat angles C4'-P-C4' energy: -91.384 flat angles P-C4'-P energy: -50.084 tors. eta vs tors. theta energy: -72.242 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: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -836.811595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.811595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.811595 (E_RNA) where: Base-Base interactions energy: -455.236 where: short stacking energy: -236.560 Base-Backbone interact. energy: -0.695 local terms energy: -380.880264 where: bonds (distance) C4'-P energy: -88.291 bonds (distance) P-C4' energy: -104.567 flat angles C4'-P-C4' energy: -92.719 flat angles P-C4'-P energy: -57.865 tors. eta vs tors. theta energy: -37.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -506.982228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.982228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.982228 (E_RNA) where: Base-Base interactions energy: -194.301 where: short stacking energy: -121.091 Base-Backbone interact. energy: -1.314 local terms energy: -311.367714 where: bonds (distance) C4'-P energy: -110.886 bonds (distance) P-C4' energy: -93.956 flat angles C4'-P-C4' energy: -85.814 flat angles P-C4'-P energy: -38.273 tors. eta vs tors. theta energy: 17.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -414.442758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.442758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.442758 (E_RNA) where: Base-Base interactions energy: -137.977 where: short stacking energy: -107.181 Base-Backbone interact. energy: -1.325 local terms energy: -275.140106 where: bonds (distance) C4'-P energy: -88.987 bonds (distance) P-C4' energy: -78.698 flat angles C4'-P-C4' energy: -67.345 flat angles P-C4'-P energy: -56.901 tors. eta vs tors. theta energy: 16.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1869.932159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.932159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.932159 (E_RNA) where: Base-Base interactions energy: -1267.267 where: short stacking energy: -551.930 Base-Backbone interact. energy: -2.732 local terms energy: -599.932896 where: bonds (distance) C4'-P energy: -119.837 bonds (distance) P-C4' energy: -113.654 flat angles C4'-P-C4' energy: -127.403 flat angles P-C4'-P energy: -78.910 tors. eta vs tors. theta energy: -160.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1741.820606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.820606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.820606 (E_RNA) where: Base-Base interactions energy: -1173.716 where: short stacking energy: -482.200 Base-Backbone interact. energy: -1.400 local terms energy: -566.704463 where: bonds (distance) C4'-P energy: -99.484 bonds (distance) P-C4' energy: -122.813 flat angles C4'-P-C4' energy: -133.327 flat angles P-C4'-P energy: -70.759 tors. eta vs tors. theta energy: -140.321 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: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1567.741376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.741376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.741376 (E_RNA) where: Base-Base interactions energy: -1023.678 where: short stacking energy: -450.924 Base-Backbone interact. energy: -1.870 local terms energy: -542.193907 where: bonds (distance) C4'-P energy: -112.534 bonds (distance) P-C4' energy: -114.885 flat angles C4'-P-C4' energy: -110.440 flat angles P-C4'-P energy: -75.166 tors. eta vs tors. theta energy: -129.169 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: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1466.603203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.603203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.603203 (E_RNA) where: Base-Base interactions energy: -974.804 where: short stacking energy: -397.155 Base-Backbone interact. energy: 4.012 local terms energy: -495.811621 where: bonds (distance) C4'-P energy: -103.061 bonds (distance) P-C4' energy: -99.808 flat angles C4'-P-C4' energy: -107.209 flat angles P-C4'-P energy: -76.183 tors. eta vs tors. theta energy: -109.550 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: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1407.024821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.024821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.024821 (E_RNA) where: Base-Base interactions energy: -916.367 where: short stacking energy: -403.269 Base-Backbone interact. energy: 0.110 local terms energy: -490.767962 where: bonds (distance) C4'-P energy: -111.737 bonds (distance) P-C4' energy: -92.068 flat angles C4'-P-C4' energy: -105.859 flat angles P-C4'-P energy: -73.275 tors. eta vs tors. theta energy: -107.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1216.352038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.352038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.352038 (E_RNA) where: Base-Base interactions energy: -758.046 where: short stacking energy: -338.197 Base-Backbone interact. energy: 0.819 local terms energy: -459.125358 where: bonds (distance) C4'-P energy: -83.259 bonds (distance) P-C4' energy: -104.667 flat angles C4'-P-C4' energy: -115.565 flat angles P-C4'-P energy: -72.706 tors. eta vs tors. theta energy: -82.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1084.977432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.977432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.977432 (E_RNA) where: Base-Base interactions energy: -680.407 where: short stacking energy: -346.275 Base-Backbone interact. energy: 1.774 local terms energy: -406.345084 where: bonds (distance) C4'-P energy: -104.710 bonds (distance) P-C4' energy: -62.987 flat angles C4'-P-C4' energy: -97.817 flat angles P-C4'-P energy: -58.623 tors. eta vs tors. theta energy: -82.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -769.125494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.125494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.125494 (E_RNA) where: Base-Base interactions energy: -408.051 where: short stacking energy: -223.380 Base-Backbone interact. energy: -0.215 local terms energy: -360.858620 where: bonds (distance) C4'-P energy: -88.237 bonds (distance) P-C4' energy: -93.687 flat angles C4'-P-C4' energy: -93.139 flat angles P-C4'-P energy: -63.503 tors. eta vs tors. theta energy: -22.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -497.034192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.034192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.034192 (E_RNA) where: Base-Base interactions energy: -201.493 where: short stacking energy: -139.562 Base-Backbone interact. energy: 2.262 local terms energy: -297.803226 where: bonds (distance) C4'-P energy: -85.147 bonds (distance) P-C4' energy: -103.435 flat angles C4'-P-C4' energy: -56.123 flat angles P-C4'-P energy: -53.218 tors. eta vs tors. theta energy: 0.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -412.847934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.847934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.847934 (E_RNA) where: Base-Base interactions energy: -133.612 where: short stacking energy: -111.189 Base-Backbone interact. energy: 2.725 local terms energy: -281.961702 where: bonds (distance) C4'-P energy: -91.440 bonds (distance) P-C4' energy: -80.428 flat angles C4'-P-C4' energy: -84.177 flat angles P-C4'-P energy: -44.033 tors. eta vs tors. theta energy: 18.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1873.938385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.938385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.938385 (E_RNA) where: Base-Base interactions energy: -1268.046 where: short stacking energy: -566.409 Base-Backbone interact. energy: -2.683 local terms energy: -603.209299 where: bonds (distance) C4'-P energy: -116.792 bonds (distance) P-C4' energy: -115.644 flat angles C4'-P-C4' energy: -128.836 flat angles P-C4'-P energy: -72.162 tors. eta vs tors. theta energy: -169.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1714.045946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.045946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.045946 (E_RNA) where: Base-Base interactions energy: -1186.473 where: short stacking energy: -486.224 Base-Backbone interact. energy: 1.798 local terms energy: -529.370864 where: bonds (distance) C4'-P energy: -91.928 bonds (distance) P-C4' energy: -102.252 flat angles C4'-P-C4' energy: -128.441 flat angles P-C4'-P energy: -74.444 tors. eta vs tors. theta energy: -132.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1577.485455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.485455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.485455 (E_RNA) where: Base-Base interactions energy: -1091.530 where: short stacking energy: -460.817 Base-Backbone interact. energy: -0.999 local terms energy: -484.956559 where: bonds (distance) C4'-P energy: -85.726 bonds (distance) P-C4' energy: -109.377 flat angles C4'-P-C4' energy: -106.942 flat angles P-C4'-P energy: -71.573 tors. eta vs tors. theta energy: -111.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1538.938631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.938631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.938631 (E_RNA) where: Base-Base interactions energy: -1042.881 where: short stacking energy: -460.405 Base-Backbone interact. energy: 0.255 local terms energy: -496.312620 where: bonds (distance) C4'-P energy: -112.553 bonds (distance) P-C4' energy: -103.039 flat angles C4'-P-C4' energy: -96.918 flat angles P-C4'-P energy: -62.433 tors. eta vs tors. theta energy: -121.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1398.966431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.966431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.966431 (E_RNA) where: Base-Base interactions energy: -919.401 where: short stacking energy: -414.417 Base-Backbone interact. energy: -1.336 local terms energy: -478.229547 where: bonds (distance) C4'-P energy: -97.434 bonds (distance) P-C4' energy: -106.319 flat angles C4'-P-C4' energy: -116.196 flat angles P-C4'-P energy: -51.149 tors. eta vs tors. theta energy: -107.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1234.697207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.697207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.697207 (E_RNA) where: Base-Base interactions energy: -789.952 where: short stacking energy: -371.522 Base-Backbone interact. energy: -0.063 local terms energy: -444.682325 where: bonds (distance) C4'-P energy: -93.516 bonds (distance) P-C4' energy: -106.513 flat angles C4'-P-C4' energy: -106.065 flat angles P-C4'-P energy: -43.835 tors. eta vs tors. theta energy: -94.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1015.842518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.842518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.842518 (E_RNA) where: Base-Base interactions energy: -584.081 where: short stacking energy: -280.610 Base-Backbone interact. energy: -1.939 local terms energy: -429.822728 where: bonds (distance) C4'-P energy: -109.487 bonds (distance) P-C4' energy: -100.949 flat angles C4'-P-C4' energy: -104.125 flat angles P-C4'-P energy: -50.484 tors. eta vs tors. theta energy: -64.778 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: 234 Temperature: 1.250000 Total energy: -835.138845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.138845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.138845 (E_RNA) where: Base-Base interactions energy: -492.267 where: short stacking energy: -219.239 Base-Backbone interact. energy: 2.503 local terms energy: -345.374614 where: bonds (distance) C4'-P energy: -88.237 bonds (distance) P-C4' energy: -83.935 flat angles C4'-P-C4' energy: -76.283 flat angles P-C4'-P energy: -66.813 tors. eta vs tors. theta energy: -30.107 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: 234 Temperature: 1.300000 Total energy: -501.852020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.852020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.852020 (E_RNA) where: Base-Base interactions energy: -194.519 where: short stacking energy: -128.344 Base-Backbone interact. energy: 1.706 local terms energy: -309.039048 where: bonds (distance) C4'-P energy: -101.037 bonds (distance) P-C4' energy: -88.759 flat angles C4'-P-C4' energy: -67.764 flat angles P-C4'-P energy: -68.409 tors. eta vs tors. theta energy: 16.929 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: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -483.725643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.725643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.725643 (E_RNA) where: Base-Base interactions energy: -185.514 where: short stacking energy: -126.826 Base-Backbone interact. energy: 1.940 local terms energy: -300.150849 where: bonds (distance) C4'-P energy: -95.734 bonds (distance) P-C4' energy: -98.919 flat angles C4'-P-C4' energy: -70.463 flat angles P-C4'-P energy: -46.803 tors. eta vs tors. theta energy: 11.768 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: 235 Temperature: 0.900000 Total energy: -1868.459782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.459782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.459782 (E_RNA) where: Base-Base interactions energy: -1261.289 where: short stacking energy: -536.092 Base-Backbone interact. energy: -4.822 local terms energy: -602.348461 where: bonds (distance) C4'-P energy: -109.084 bonds (distance) P-C4' energy: -114.690 flat angles C4'-P-C4' energy: -122.565 flat angles P-C4'-P energy: -91.738 tors. eta vs tors. theta energy: -164.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1777.939754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.939754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.939754 (E_RNA) where: Base-Base interactions energy: -1204.108 where: short stacking energy: -492.333 Base-Backbone interact. energy: -1.833 local terms energy: -571.998453 where: bonds (distance) C4'-P energy: -105.227 bonds (distance) P-C4' energy: -114.042 flat angles C4'-P-C4' energy: -124.456 flat angles P-C4'-P energy: -80.815 tors. eta vs tors. theta energy: -147.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1563.219335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.219335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.219335 (E_RNA) where: Base-Base interactions energy: -1031.927 where: short stacking energy: -443.572 Base-Backbone interact. energy: -0.338 local terms energy: -530.954489 where: bonds (distance) C4'-P energy: -115.374 bonds (distance) P-C4' energy: -102.881 flat angles C4'-P-C4' energy: -117.519 flat angles P-C4'-P energy: -76.400 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: 4, replica: 5 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1515.187217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.187217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.187217 (E_RNA) where: Base-Base interactions energy: -998.134 where: short stacking energy: -447.190 Base-Backbone interact. energy: 2.806 local terms energy: -519.859776 where: bonds (distance) C4'-P energy: -103.008 bonds (distance) P-C4' energy: -104.167 flat angles C4'-P-C4' energy: -105.547 flat angles P-C4'-P energy: -64.233 tors. eta vs tors. theta energy: -142.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1384.932935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.932935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.932935 (E_RNA) where: Base-Base interactions energy: -909.513 where: short stacking energy: -403.480 Base-Backbone interact. energy: -1.490 local terms energy: -473.930415 where: bonds (distance) C4'-P energy: -83.315 bonds (distance) P-C4' energy: -108.834 flat angles C4'-P-C4' energy: -105.448 flat angles P-C4'-P energy: -67.904 tors. eta vs tors. theta energy: -108.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1196.172912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.172912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.172912 (E_RNA) where: Base-Base interactions energy: -762.249 where: short stacking energy: -340.328 Base-Backbone interact. energy: 1.900 local terms energy: -435.823639 where: bonds (distance) C4'-P energy: -94.249 bonds (distance) P-C4' energy: -91.690 flat angles C4'-P-C4' energy: -104.931 flat angles P-C4'-P energy: -72.951 tors. eta vs tors. theta energy: -72.003 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: 8 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -993.694459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.694459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.694459 (E_RNA) where: Base-Base interactions energy: -582.414 where: short stacking energy: -281.839 Base-Backbone interact. energy: -1.436 local terms energy: -409.844158 where: bonds (distance) C4'-P energy: -86.773 bonds (distance) P-C4' energy: -99.752 flat angles C4'-P-C4' energy: -102.283 flat angles P-C4'-P energy: -60.034 tors. eta vs tors. theta energy: -61.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -797.588338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.588338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.588338 (E_RNA) where: Base-Base interactions energy: -421.465 where: short stacking energy: -230.539 Base-Backbone interact. energy: 0.029 local terms energy: -376.152361 where: bonds (distance) C4'-P energy: -82.753 bonds (distance) P-C4' energy: -96.055 flat angles C4'-P-C4' energy: -107.264 flat angles P-C4'-P energy: -52.741 tors. eta vs tors. theta energy: -37.339 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: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -462.548187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.548187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.548187 (E_RNA) where: Base-Base interactions energy: -171.665 where: short stacking energy: -152.782 Base-Backbone interact. energy: -2.762 local terms energy: -288.120996 where: bonds (distance) C4'-P energy: -107.215 bonds (distance) P-C4' energy: -95.105 flat angles C4'-P-C4' energy: -68.613 flat angles P-C4'-P energy: -27.627 tors. eta vs tors. theta energy: 10.438 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: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -455.550200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.550200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.550200 (E_RNA) where: Base-Base interactions energy: -171.887 where: short stacking energy: -128.305 Base-Backbone interact. energy: -0.985 local terms energy: -282.678659 where: bonds (distance) C4'-P energy: -81.770 bonds (distance) P-C4' energy: -86.112 flat angles C4'-P-C4' energy: -85.059 flat angles P-C4'-P energy: -41.462 tors. eta vs tors. theta energy: 11.724 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: 7 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1857.086253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.086253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.086253 (E_RNA) where: Base-Base interactions energy: -1263.784 where: short stacking energy: -537.670 Base-Backbone interact. energy: -0.263 local terms energy: -593.039965 where: bonds (distance) C4'-P energy: -113.406 bonds (distance) P-C4' energy: -120.793 flat angles C4'-P-C4' energy: -117.376 flat angles P-C4'-P energy: -81.003 tors. eta vs tors. theta energy: -160.461 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: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1765.928886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.928886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.928886 (E_RNA) where: Base-Base interactions energy: -1214.966 where: short stacking energy: -497.255 Base-Backbone interact. energy: -1.521 local terms energy: -549.441546 where: bonds (distance) C4'-P energy: -102.637 bonds (distance) P-C4' energy: -103.422 flat angles C4'-P-C4' energy: -120.952 flat angles P-C4'-P energy: -80.602 tors. eta vs tors. theta energy: -141.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1632.440971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.440971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.440971 (E_RNA) where: Base-Base interactions energy: -1073.211 where: short stacking energy: -460.891 Base-Backbone interact. energy: -0.321 local terms energy: -558.908487 where: bonds (distance) C4'-P energy: -117.770 bonds (distance) P-C4' energy: -117.897 flat angles C4'-P-C4' energy: -113.460 flat angles P-C4'-P energy: -73.654 tors. eta vs tors. theta energy: -136.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1499.058892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.058892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.058892 (E_RNA) where: Base-Base interactions energy: -981.827 where: short stacking energy: -427.714 Base-Backbone interact. energy: -0.787 local terms energy: -516.444468 where: bonds (distance) C4'-P energy: -105.616 bonds (distance) P-C4' energy: -114.853 flat angles C4'-P-C4' energy: -111.112 flat angles P-C4'-P energy: -73.918 tors. eta vs tors. theta energy: -110.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1401.710993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.710993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.710993 (E_RNA) where: Base-Base interactions energy: -909.602 where: short stacking energy: -407.707 Base-Backbone interact. energy: -3.985 local terms energy: -488.123878 where: bonds (distance) C4'-P energy: -96.348 bonds (distance) P-C4' energy: -102.080 flat angles C4'-P-C4' energy: -107.445 flat angles P-C4'-P energy: -58.459 tors. eta vs tors. theta energy: -123.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1225.942894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.942894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.942894 (E_RNA) where: Base-Base interactions energy: -783.435 where: short stacking energy: -357.945 Base-Backbone interact. energy: -1.387 local terms energy: -441.121279 where: bonds (distance) C4'-P energy: -89.918 bonds (distance) P-C4' energy: -97.110 flat angles C4'-P-C4' energy: -108.167 flat angles P-C4'-P energy: -58.802 tors. eta vs tors. theta energy: -87.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -971.660060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.660060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.660060 (E_RNA) where: Base-Base interactions energy: -611.053 where: short stacking energy: -286.870 Base-Backbone interact. energy: -2.077 local terms energy: -358.529192 where: bonds (distance) C4'-P energy: -83.795 bonds (distance) P-C4' energy: -93.713 flat angles C4'-P-C4' energy: -96.032 flat angles P-C4'-P energy: -42.415 tors. eta vs tors. theta energy: -42.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -824.505535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.505535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.505535 (E_RNA) where: Base-Base interactions energy: -443.647 where: short stacking energy: -244.221 Base-Backbone interact. energy: -1.294 local terms energy: -379.565222 where: bonds (distance) C4'-P energy: -95.305 bonds (distance) P-C4' energy: -94.253 flat angles C4'-P-C4' energy: -76.733 flat angles P-C4'-P energy: -64.747 tors. eta vs tors. theta energy: -48.528 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: 9, replica: 4 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -463.052417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.052417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.052417 (E_RNA) where: Base-Base interactions energy: -170.493 where: short stacking energy: -114.776 Base-Backbone interact. energy: -1.255 local terms energy: -291.304715 where: bonds (distance) C4'-P energy: -83.776 bonds (distance) P-C4' energy: -112.918 flat angles C4'-P-C4' energy: -78.338 flat angles P-C4'-P energy: -43.530 tors. eta vs tors. theta energy: 27.257 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: 9 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -423.584020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.584020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.584020 (E_RNA) where: Base-Base interactions energy: -128.207 where: short stacking energy: -116.309 Base-Backbone interact. energy: -1.270 local terms energy: -294.107142 where: bonds (distance) C4'-P energy: -86.031 bonds (distance) P-C4' energy: -92.809 flat angles C4'-P-C4' energy: -91.165 flat angles P-C4'-P energy: -33.335 tors. eta vs tors. theta energy: 9.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1845.433829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.433829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.433829 (E_RNA) where: Base-Base interactions energy: -1281.331 where: short stacking energy: -564.817 Base-Backbone interact. energy: 0.254 local terms energy: -564.356747 where: bonds (distance) C4'-P energy: -115.194 bonds (distance) P-C4' energy: -113.022 flat angles C4'-P-C4' energy: -119.264 flat angles P-C4'-P energy: -56.516 tors. eta vs tors. theta energy: -160.361 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: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1735.015466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.015466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.015466 (E_RNA) where: Base-Base interactions energy: -1163.028 where: short stacking energy: -475.240 Base-Backbone interact. energy: 3.333 local terms energy: -575.319651 where: bonds (distance) C4'-P energy: -108.403 bonds (distance) P-C4' energy: -112.371 flat angles C4'-P-C4' energy: -132.251 flat angles P-C4'-P energy: -76.378 tors. eta vs tors. theta energy: -145.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1606.033352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.033352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.033352 (E_RNA) where: Base-Base interactions energy: -1057.583 where: short stacking energy: -457.700 Base-Backbone interact. energy: -2.304 local terms energy: -546.146067 where: bonds (distance) C4'-P energy: -91.948 bonds (distance) P-C4' energy: -114.713 flat angles C4'-P-C4' energy: -128.965 flat angles P-C4'-P energy: -74.722 tors. eta vs tors. theta energy: -135.798 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: 4, replica: 5 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1446.007375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.007375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.007375 (E_RNA) where: Base-Base interactions energy: -965.731 where: short stacking energy: -426.578 Base-Backbone interact. energy: -0.729 local terms energy: -479.547668 where: bonds (distance) C4'-P energy: -98.038 bonds (distance) P-C4' energy: -96.086 flat angles C4'-P-C4' energy: -103.004 flat angles P-C4'-P energy: -68.070 tors. eta vs tors. theta energy: -114.349 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: 1 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1401.664108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.664108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.664108 (E_RNA) where: Base-Base interactions energy: -925.503 where: short stacking energy: -397.941 Base-Backbone interact. energy: -2.405 local terms energy: -473.756468 where: bonds (distance) C4'-P energy: -88.599 bonds (distance) P-C4' energy: -113.700 flat angles C4'-P-C4' energy: -104.468 flat angles P-C4'-P energy: -63.952 tors. eta vs tors. theta energy: -103.039 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: 6 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1271.510291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.510291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.510291 (E_RNA) where: Base-Base interactions energy: -833.165 where: short stacking energy: -352.127 Base-Backbone interact. energy: -3.086 local terms energy: -435.259100 where: bonds (distance) C4'-P energy: -93.864 bonds (distance) P-C4' energy: -107.840 flat angles C4'-P-C4' energy: -94.777 flat angles P-C4'-P energy: -61.502 tors. eta vs tors. theta energy: -77.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1043.873452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.873452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.873452 (E_RNA) where: Base-Base interactions energy: -642.315 where: short stacking energy: -308.622 Base-Backbone interact. energy: -1.558 local terms energy: -399.999747 where: bonds (distance) C4'-P energy: -96.527 bonds (distance) P-C4' energy: -89.862 flat angles C4'-P-C4' energy: -84.606 flat angles P-C4'-P energy: -56.580 tors. eta vs tors. theta energy: -72.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -859.053851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.053851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.053851 (E_RNA) where: Base-Base interactions energy: -492.992 where: short stacking energy: -243.247 Base-Backbone interact. energy: -0.524 local terms energy: -365.537705 where: bonds (distance) C4'-P energy: -85.205 bonds (distance) P-C4' energy: -86.372 flat angles C4'-P-C4' energy: -110.030 flat angles P-C4'-P energy: -40.722 tors. eta vs tors. theta energy: -43.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -486.450495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.450495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.450495 (E_RNA) where: Base-Base interactions energy: -185.516 where: short stacking energy: -136.373 Base-Backbone interact. energy: 3.911 local terms energy: -304.845161 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -108.768 flat angles C4'-P-C4' energy: -76.509 flat angles P-C4'-P energy: -47.596 tors. eta vs tors. theta energy: 10.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -407.119864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.119864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.119864 (E_RNA) where: Base-Base interactions energy: -125.566 where: short stacking energy: -116.793 Base-Backbone interact. energy: 3.375 local terms energy: -284.929174 where: bonds (distance) C4'-P energy: -99.463 bonds (distance) P-C4' energy: -94.823 flat angles C4'-P-C4' energy: -80.634 flat angles P-C4'-P energy: -26.127 tors. eta vs tors. theta energy: 16.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1853.110568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.110568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.110568 (E_RNA) where: Base-Base interactions energy: -1256.163 where: short stacking energy: -533.407 Base-Backbone interact. energy: -1.506 local terms energy: -595.441281 where: bonds (distance) C4'-P energy: -105.220 bonds (distance) P-C4' energy: -103.910 flat angles C4'-P-C4' energy: -126.893 flat angles P-C4'-P energy: -95.075 tors. eta vs tors. theta energy: -164.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1789.638856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.638856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.638856 (E_RNA) where: Base-Base interactions energy: -1214.815 where: short stacking energy: -505.628 Base-Backbone interact. energy: 1.751 local terms energy: -576.575606 where: bonds (distance) C4'-P energy: -117.286 bonds (distance) P-C4' energy: -108.666 flat angles C4'-P-C4' energy: -134.210 flat angles P-C4'-P energy: -74.431 tors. eta vs tors. theta energy: -141.982 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: 2 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1565.895612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.895612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.895612 (E_RNA) where: Base-Base interactions energy: -1057.351 where: short stacking energy: -472.464 Base-Backbone interact. energy: 0.382 local terms energy: -508.926271 where: bonds (distance) C4'-P energy: -102.043 bonds (distance) P-C4' energy: -102.601 flat angles C4'-P-C4' energy: -109.478 flat angles P-C4'-P energy: -65.582 tors. eta vs tors. theta energy: -129.222 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: 5 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1453.494374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.494374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.494374 (E_RNA) where: Base-Base interactions energy: -936.614 where: short stacking energy: -434.601 Base-Backbone interact. energy: 1.942 local terms energy: -518.822810 where: bonds (distance) C4'-P energy: -108.702 bonds (distance) P-C4' energy: -112.710 flat angles C4'-P-C4' energy: -115.858 flat angles P-C4'-P energy: -58.964 tors. eta vs tors. theta energy: -122.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1345.195191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.195191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.195191 (E_RNA) where: Base-Base interactions energy: -892.935 where: short stacking energy: -397.331 Base-Backbone interact. energy: 0.572 local terms energy: -452.832056 where: bonds (distance) C4'-P energy: -79.223 bonds (distance) P-C4' energy: -98.573 flat angles C4'-P-C4' energy: -100.083 flat angles P-C4'-P energy: -71.319 tors. eta vs tors. theta energy: -103.634 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: 238 Temperature: 1.150000 Total energy: -1264.303410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.303410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.303410 (E_RNA) where: Base-Base interactions energy: -826.615 where: short stacking energy: -369.546 Base-Backbone interact. energy: 2.609 local terms energy: -440.297581 where: bonds (distance) C4'-P energy: -93.214 bonds (distance) P-C4' energy: -91.998 flat angles C4'-P-C4' energy: -100.363 flat angles P-C4'-P energy: -75.028 tors. eta vs tors. theta energy: -79.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1024.323462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.323462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.323462 (E_RNA) where: Base-Base interactions energy: -612.462 where: short stacking energy: -287.527 Base-Backbone interact. energy: -2.084 local terms energy: -409.777749 where: bonds (distance) C4'-P energy: -99.942 bonds (distance) P-C4' energy: -88.347 flat angles C4'-P-C4' energy: -100.831 flat angles P-C4'-P energy: -53.856 tors. eta vs tors. theta energy: -66.802 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: 8, replica: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -870.913507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.913507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.913507 (E_RNA) where: Base-Base interactions energy: -518.650 where: short stacking energy: -245.936 Base-Backbone interact. energy: 1.844 local terms energy: -354.108024 where: bonds (distance) C4'-P energy: -80.881 bonds (distance) P-C4' energy: -85.348 flat angles C4'-P-C4' energy: -77.637 flat angles P-C4'-P energy: -69.929 tors. eta vs tors. theta energy: -40.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -504.175451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.175451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.175451 (E_RNA) where: Base-Base interactions energy: -189.202 where: short stacking energy: -163.866 Base-Backbone interact. energy: 1.593 local terms energy: -316.566639 where: bonds (distance) C4'-P energy: -88.458 bonds (distance) P-C4' energy: -91.745 flat angles C4'-P-C4' energy: -92.500 flat angles P-C4'-P energy: -52.908 tors. eta vs tors. theta energy: 9.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -459.903130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.903130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.903130 (E_RNA) where: Base-Base interactions energy: -193.573 where: short stacking energy: -131.153 Base-Backbone interact. energy: -2.324 local terms energy: -264.006741 where: bonds (distance) C4'-P energy: -81.784 bonds (distance) P-C4' energy: -88.550 flat angles C4'-P-C4' energy: -59.469 flat angles P-C4'-P energy: -53.942 tors. eta vs tors. theta energy: 19.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1882.684175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.684175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.684175 (E_RNA) where: Base-Base interactions energy: -1276.567 where: short stacking energy: -545.888 Base-Backbone interact. energy: -1.858 local terms energy: -604.258912 where: bonds (distance) C4'-P energy: -114.708 bonds (distance) P-C4' energy: -106.964 flat angles C4'-P-C4' energy: -129.734 flat angles P-C4'-P energy: -87.728 tors. eta vs tors. theta energy: -165.125 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: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1763.257987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.257987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.257987 (E_RNA) where: Base-Base interactions energy: -1179.913 where: short stacking energy: -500.587 Base-Backbone interact. energy: -1.983 local terms energy: -581.361763 where: bonds (distance) C4'-P energy: -116.810 bonds (distance) P-C4' energy: -113.133 flat angles C4'-P-C4' energy: -128.529 flat angles P-C4'-P energy: -78.270 tors. eta vs tors. theta energy: -144.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1588.044902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.044902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.044902 (E_RNA) where: Base-Base interactions energy: -1051.246 where: short stacking energy: -451.692 Base-Backbone interact. energy: -1.213 local terms energy: -535.585887 where: bonds (distance) C4'-P energy: -110.755 bonds (distance) P-C4' energy: -119.340 flat angles C4'-P-C4' energy: -108.001 flat angles P-C4'-P energy: -82.006 tors. eta vs tors. theta energy: -115.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1472.949025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.949025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.949025 (E_RNA) where: Base-Base interactions energy: -971.354 where: short stacking energy: -450.094 Base-Backbone interact. energy: -0.645 local terms energy: -500.949955 where: bonds (distance) C4'-P energy: -102.994 bonds (distance) P-C4' energy: -102.796 flat angles C4'-P-C4' energy: -109.838 flat angles P-C4'-P energy: -63.062 tors. eta vs tors. theta energy: -122.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1331.318223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.318223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.318223 (E_RNA) where: Base-Base interactions energy: -860.524 where: short stacking energy: -376.161 Base-Backbone interact. energy: 0.656 local terms energy: -471.449394 where: bonds (distance) C4'-P energy: -89.953 bonds (distance) P-C4' energy: -107.732 flat angles C4'-P-C4' energy: -113.777 flat angles P-C4'-P energy: -61.809 tors. eta vs tors. theta energy: -98.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1256.168886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.168886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.168886 (E_RNA) where: Base-Base interactions energy: -793.627 where: short stacking energy: -367.093 Base-Backbone interact. energy: 2.890 local terms energy: -465.432444 where: bonds (distance) C4'-P energy: -94.597 bonds (distance) P-C4' energy: -93.939 flat angles C4'-P-C4' energy: -113.495 flat angles P-C4'-P energy: -68.370 tors. eta vs tors. theta energy: -95.031 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: 239 Temperature: 1.200000 Total energy: -973.727240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.727240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.727240 (E_RNA) where: Base-Base interactions energy: -578.133 where: short stacking energy: -267.114 Base-Backbone interact. energy: 0.738 local terms energy: -396.332922 where: bonds (distance) C4'-P energy: -104.779 bonds (distance) P-C4' energy: -100.405 flat angles C4'-P-C4' energy: -92.999 flat angles P-C4'-P energy: -55.750 tors. eta vs tors. theta energy: -42.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -868.729953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.729953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.729953 (E_RNA) where: Base-Base interactions energy: -479.018 where: short stacking energy: -230.090 Base-Backbone interact. energy: -1.233 local terms energy: -388.478322 where: bonds (distance) C4'-P energy: -84.816 bonds (distance) P-C4' energy: -102.716 flat angles C4'-P-C4' energy: -98.313 flat angles P-C4'-P energy: -64.536 tors. eta vs tors. theta energy: -38.097 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: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -515.967089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.967089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.967089 (E_RNA) where: Base-Base interactions energy: -195.810 where: short stacking energy: -114.207 Base-Backbone interact. energy: -0.577 local terms energy: -319.579945 where: bonds (distance) C4'-P energy: -102.638 bonds (distance) P-C4' energy: -91.787 flat angles C4'-P-C4' energy: -83.678 flat angles P-C4'-P energy: -58.019 tors. eta vs tors. theta energy: 16.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -436.681662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.681662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.681662 (E_RNA) where: Base-Base interactions energy: -143.192 where: short stacking energy: -130.578 Base-Backbone interact. energy: -1.480 local terms energy: -292.009853 where: bonds (distance) C4'-P energy: -81.926 bonds (distance) P-C4' energy: -94.409 flat angles C4'-P-C4' energy: -79.915 flat angles P-C4'-P energy: -45.631 tors. eta vs tors. theta energy: 9.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1884.042473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.042473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.042473 (E_RNA) where: Base-Base interactions energy: -1288.364 where: short stacking energy: -568.444 Base-Backbone interact. energy: -2.783 local terms energy: -592.894726 where: bonds (distance) C4'-P energy: -105.825 bonds (distance) P-C4' energy: -106.369 flat angles C4'-P-C4' energy: -126.680 flat angles P-C4'-P energy: -86.545 tors. eta vs tors. theta energy: -167.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1745.690437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.690437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.690437 (E_RNA) where: Base-Base interactions energy: -1178.815 where: short stacking energy: -478.170 Base-Backbone interact. energy: -4.101 local terms energy: -562.774544 where: bonds (distance) C4'-P energy: -110.597 bonds (distance) P-C4' energy: -111.322 flat angles C4'-P-C4' energy: -118.127 flat angles P-C4'-P energy: -78.278 tors. eta vs tors. theta energy: -144.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1581.181692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.181692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.181692 (E_RNA) where: Base-Base interactions energy: -1080.847 where: short stacking energy: -452.698 Base-Backbone interact. energy: -0.506 local terms energy: -499.828689 where: bonds (distance) C4'-P energy: -96.109 bonds (distance) P-C4' energy: -107.189 flat angles C4'-P-C4' energy: -109.453 flat angles P-C4'-P energy: -55.336 tors. eta vs tors. theta energy: -131.742 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: 5 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1420.592118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.592118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.592118 (E_RNA) where: Base-Base interactions energy: -931.573 where: short stacking energy: -406.445 Base-Backbone interact. energy: 2.799 local terms energy: -491.818653 where: bonds (distance) C4'-P energy: -92.390 bonds (distance) P-C4' energy: -105.523 flat angles C4'-P-C4' energy: -116.500 flat angles P-C4'-P energy: -66.852 tors. eta vs tors. theta energy: -110.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1358.484923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.484923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.484923 (E_RNA) where: Base-Base interactions energy: -895.116 where: short stacking energy: -383.321 Base-Backbone interact. energy: 0.420 local terms energy: -463.789046 where: bonds (distance) C4'-P energy: -101.759 bonds (distance) P-C4' energy: -106.239 flat angles C4'-P-C4' energy: -95.380 flat angles P-C4'-P energy: -66.328 tors. eta vs tors. theta energy: -94.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1244.674474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.674474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.674474 (E_RNA) where: Base-Base interactions energy: -809.165 where: short stacking energy: -347.051 Base-Backbone interact. energy: 0.562 local terms energy: -436.071137 where: bonds (distance) C4'-P energy: -71.789 bonds (distance) P-C4' energy: -112.828 flat angles C4'-P-C4' energy: -99.450 flat angles P-C4'-P energy: -72.736 tors. eta vs tors. theta energy: -79.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1018.417362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.417362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.417362 (E_RNA) where: Base-Base interactions energy: -611.542 where: short stacking energy: -293.644 Base-Backbone interact. energy: 0.144 local terms energy: -407.018929 where: bonds (distance) C4'-P energy: -86.954 bonds (distance) P-C4' energy: -90.205 flat angles C4'-P-C4' energy: -91.313 flat angles P-C4'-P energy: -69.742 tors. eta vs tors. theta energy: -68.805 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: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -834.098035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.098035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.098035 (E_RNA) where: Base-Base interactions energy: -469.961 where: short stacking energy: -222.670 Base-Backbone interact. energy: -1.791 local terms energy: -362.345949 where: bonds (distance) C4'-P energy: -94.106 bonds (distance) P-C4' energy: -108.811 flat angles C4'-P-C4' energy: -77.904 flat angles P-C4'-P energy: -45.700 tors. eta vs tors. theta energy: -35.825 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: 4 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -506.638617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.638617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.638617 (E_RNA) where: Base-Base interactions energy: -182.481 where: short stacking energy: -139.826 Base-Backbone interact. energy: 7.484 local terms energy: -331.641851 where: bonds (distance) C4'-P energy: -88.373 bonds (distance) P-C4' energy: -97.510 flat angles C4'-P-C4' energy: -90.855 flat angles P-C4'-P energy: -56.908 tors. eta vs tors. theta energy: 2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -412.783462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.783462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.783462 (E_RNA) where: Base-Base interactions energy: -113.280 where: short stacking energy: -102.256 Base-Backbone interact. energy: 1.034 local terms energy: -300.537148 where: bonds (distance) C4'-P energy: -80.686 bonds (distance) P-C4' energy: -95.959 flat angles C4'-P-C4' energy: -84.057 flat angles P-C4'-P energy: -54.183 tors. eta vs tors. theta energy: 14.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1881.775797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.775797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.775797 (E_RNA) where: Base-Base interactions energy: -1264.680 where: short stacking energy: -559.952 Base-Backbone interact. energy: -1.904 local terms energy: -615.191815 where: bonds (distance) C4'-P energy: -115.905 bonds (distance) P-C4' energy: -115.450 flat angles C4'-P-C4' energy: -131.338 flat angles P-C4'-P energy: -86.309 tors. eta vs tors. theta energy: -166.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1758.194066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.194066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.194066 (E_RNA) where: Base-Base interactions energy: -1221.390 where: short stacking energy: -516.182 Base-Backbone interact. energy: 3.330 local terms energy: -540.133418 where: bonds (distance) C4'-P energy: -103.581 bonds (distance) P-C4' energy: -118.774 flat angles C4'-P-C4' energy: -119.852 flat angles P-C4'-P energy: -59.932 tors. eta vs tors. theta energy: -137.993 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: 2 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1597.918766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.918766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.918766 (E_RNA) where: Base-Base interactions energy: -1060.949 where: short stacking energy: -465.286 Base-Backbone interact. energy: -3.193 local terms energy: -533.777199 where: bonds (distance) C4'-P energy: -114.409 bonds (distance) P-C4' energy: -106.581 flat angles C4'-P-C4' energy: -125.718 flat angles P-C4'-P energy: -71.371 tors. eta vs tors. theta energy: -115.697 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: 5 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1483.520311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.520311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.520311 (E_RNA) where: Base-Base interactions energy: -959.019 where: short stacking energy: -471.267 Base-Backbone interact. energy: -4.394 local terms energy: -520.106735 where: bonds (distance) C4'-P energy: -88.773 bonds (distance) P-C4' energy: -100.150 flat angles C4'-P-C4' energy: -120.295 flat angles P-C4'-P energy: -75.921 tors. eta vs tors. theta energy: -134.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1306.437152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.437152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.437152 (E_RNA) where: Base-Base interactions energy: -855.742 where: short stacking energy: -369.461 Base-Backbone interact. energy: -2.202 local terms energy: -448.492895 where: bonds (distance) C4'-P energy: -87.995 bonds (distance) P-C4' energy: -102.991 flat angles C4'-P-C4' energy: -116.711 flat angles P-C4'-P energy: -61.148 tors. eta vs tors. theta energy: -79.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1239.694478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.694478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.694478 (E_RNA) where: Base-Base interactions energy: -794.208 where: short stacking energy: -360.493 Base-Backbone interact. energy: 1.932 local terms energy: -447.418776 where: bonds (distance) C4'-P energy: -86.970 bonds (distance) P-C4' energy: -91.497 flat angles C4'-P-C4' energy: -113.572 flat angles P-C4'-P energy: -69.011 tors. eta vs tors. theta energy: -86.369 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: 241 Temperature: 1.200000 Total energy: -1045.577482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.577482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.577482 (E_RNA) where: Base-Base interactions energy: -647.897 where: short stacking energy: -318.443 Base-Backbone interact. energy: -0.901 local terms energy: -396.779190 where: bonds (distance) C4'-P energy: -77.323 bonds (distance) P-C4' energy: -78.287 flat angles C4'-P-C4' energy: -113.883 flat angles P-C4'-P energy: -56.504 tors. eta vs tors. theta energy: -70.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -760.232660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.232660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.232660 (E_RNA) where: Base-Base interactions energy: -403.147 where: short stacking energy: -207.491 Base-Backbone interact. energy: -1.794 local terms energy: -355.291722 where: bonds (distance) C4'-P energy: -96.903 bonds (distance) P-C4' energy: -88.150 flat angles C4'-P-C4' energy: -95.514 flat angles P-C4'-P energy: -41.595 tors. eta vs tors. theta energy: -33.129 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: 4 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -486.635401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.635401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.635401 (E_RNA) where: Base-Base interactions energy: -186.161 where: short stacking energy: -137.064 Base-Backbone interact. energy: 5.185 local terms energy: -305.658617 where: bonds (distance) C4'-P energy: -97.937 bonds (distance) P-C4' energy: -95.279 flat angles C4'-P-C4' energy: -77.206 flat angles P-C4'-P energy: -38.295 tors. eta vs tors. theta energy: 3.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -429.155446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.155446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.155446 (E_RNA) where: Base-Base interactions energy: -147.527 where: short stacking energy: -101.516 Base-Backbone interact. energy: -2.166 local terms energy: -279.462206 where: bonds (distance) C4'-P energy: -94.927 bonds (distance) P-C4' energy: -90.906 flat angles C4'-P-C4' energy: -76.036 flat angles P-C4'-P energy: -40.595 tors. eta vs tors. theta energy: 23.002 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: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1882.099789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.099789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.099789 (E_RNA) where: Base-Base interactions energy: -1273.306 where: short stacking energy: -560.280 Base-Backbone interact. energy: 0.982 local terms energy: -609.775108 where: bonds (distance) C4'-P energy: -111.783 bonds (distance) P-C4' energy: -116.565 flat angles C4'-P-C4' energy: -124.318 flat angles P-C4'-P energy: -88.659 tors. eta vs tors. theta energy: -168.449 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: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1804.894819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.894819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.894819 (E_RNA) where: Base-Base interactions energy: -1233.614 where: short stacking energy: -496.239 Base-Backbone interact. energy: -5.127 local terms energy: -566.153805 where: bonds (distance) C4'-P energy: -113.025 bonds (distance) P-C4' energy: -103.681 flat angles C4'-P-C4' energy: -118.222 flat angles P-C4'-P energy: -80.992 tors. eta vs tors. theta energy: -150.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1593.874377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.874377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.874377 (E_RNA) where: Base-Base interactions energy: -1071.170 where: short stacking energy: -453.396 Base-Backbone interact. energy: -1.997 local terms energy: -520.708276 where: bonds (distance) C4'-P energy: -85.361 bonds (distance) P-C4' energy: -120.450 flat angles C4'-P-C4' energy: -108.179 flat angles P-C4'-P energy: -81.325 tors. eta vs tors. theta energy: -125.393 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: 5 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1470.484388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.484388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.484388 (E_RNA) where: Base-Base interactions energy: -961.705 where: short stacking energy: -424.033 Base-Backbone interact. energy: -1.864 local terms energy: -506.915811 where: bonds (distance) C4'-P energy: -99.645 bonds (distance) P-C4' energy: -92.192 flat angles C4'-P-C4' energy: -115.826 flat angles P-C4'-P energy: -79.488 tors. eta vs tors. theta energy: -119.765 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: 242 Temperature: 1.100000 Total energy: -1373.480161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.480161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.480161 (E_RNA) where: Base-Base interactions energy: -917.828 where: short stacking energy: -391.664 Base-Backbone interact. energy: 5.067 local terms energy: -460.718563 where: bonds (distance) C4'-P energy: -90.251 bonds (distance) P-C4' energy: -93.856 flat angles C4'-P-C4' energy: -105.451 flat angles P-C4'-P energy: -61.393 tors. eta vs tors. theta energy: -109.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1292.754816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.754816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.754816 (E_RNA) where: Base-Base interactions energy: -814.859 where: short stacking energy: -366.807 Base-Backbone interact. energy: -1.326 local terms energy: -476.569893 where: bonds (distance) C4'-P energy: -82.642 bonds (distance) P-C4' energy: -95.747 flat angles C4'-P-C4' energy: -109.819 flat angles P-C4'-P energy: -77.963 tors. eta vs tors. theta energy: -110.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1053.633213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.633213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.633213 (E_RNA) where: Base-Base interactions energy: -631.905 where: short stacking energy: -305.566 Base-Backbone interact. energy: -0.820 local terms energy: -420.908365 where: bonds (distance) C4'-P energy: -96.665 bonds (distance) P-C4' energy: -101.830 flat angles C4'-P-C4' energy: -96.419 flat angles P-C4'-P energy: -73.723 tors. eta vs tors. theta energy: -52.273 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: 10 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -794.416088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.416088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.416088 (E_RNA) where: Base-Base interactions energy: -429.653 where: short stacking energy: -241.199 Base-Backbone interact. energy: -0.944 local terms energy: -363.818519 where: bonds (distance) C4'-P energy: -83.269 bonds (distance) P-C4' energy: -102.019 flat angles C4'-P-C4' energy: -97.039 flat angles P-C4'-P energy: -59.306 tors. eta vs tors. theta energy: -22.186 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: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -445.485568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.485568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.485568 (E_RNA) where: Base-Base interactions energy: -137.799 where: short stacking energy: -96.644 Base-Backbone interact. energy: -2.930 local terms energy: -304.757229 where: bonds (distance) C4'-P energy: -92.125 bonds (distance) P-C4' energy: -98.146 flat angles C4'-P-C4' energy: -88.758 flat angles P-C4'-P energy: -50.705 tors. eta vs tors. theta energy: 24.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -423.626507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.626507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.626507 (E_RNA) where: Base-Base interactions energy: -125.961 where: short stacking energy: -105.349 Base-Backbone interact. energy: -0.128 local terms energy: -297.537355 where: bonds (distance) C4'-P energy: -92.534 bonds (distance) P-C4' energy: -100.577 flat angles C4'-P-C4' energy: -69.789 flat angles P-C4'-P energy: -65.126 tors. eta vs tors. theta energy: 30.489 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: 7 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1881.638131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.638131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.638131 (E_RNA) where: Base-Base interactions energy: -1275.856 where: short stacking energy: -552.931 Base-Backbone interact. energy: -0.278 local terms energy: -605.504044 where: bonds (distance) C4'-P energy: -107.057 bonds (distance) P-C4' energy: -111.072 flat angles C4'-P-C4' energy: -128.941 flat angles P-C4'-P energy: -90.451 tors. eta vs tors. theta energy: -167.983 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: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1777.414025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.414025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.414025 (E_RNA) where: Base-Base interactions energy: -1227.240 where: short stacking energy: -497.199 Base-Backbone interact. energy: -2.289 local terms energy: -547.884859 where: bonds (distance) C4'-P energy: -113.482 bonds (distance) P-C4' energy: -109.432 flat angles C4'-P-C4' energy: -118.693 flat angles P-C4'-P energy: -72.468 tors. eta vs tors. theta energy: -133.810 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: 3, replica: 2 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1579.507726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.507726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.507726 (E_RNA) where: Base-Base interactions energy: -1057.219 where: short stacking energy: -430.627 Base-Backbone interact. energy: -2.967 local terms energy: -519.322374 where: bonds (distance) C4'-P energy: -108.369 bonds (distance) P-C4' energy: -102.902 flat angles C4'-P-C4' energy: -120.205 flat angles P-C4'-P energy: -67.898 tors. eta vs tors. theta energy: -119.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1475.968573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.968573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.968573 (E_RNA) where: Base-Base interactions energy: -989.591 where: short stacking energy: -404.460 Base-Backbone interact. energy: -2.300 local terms energy: -484.076982 where: bonds (distance) C4'-P energy: -115.463 bonds (distance) P-C4' energy: -85.521 flat angles C4'-P-C4' energy: -104.630 flat angles P-C4'-P energy: -65.055 tors. eta vs tors. theta energy: -113.407 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: 6 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1414.951446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.951446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.951446 (E_RNA) where: Base-Base interactions energy: -959.894 where: short stacking energy: -413.216 Base-Backbone interact. energy: -3.181 local terms energy: -451.876443 where: bonds (distance) C4'-P energy: -99.158 bonds (distance) P-C4' energy: -99.893 flat angles C4'-P-C4' energy: -89.756 flat angles P-C4'-P energy: -66.713 tors. eta vs tors. theta energy: -96.357 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: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1201.182789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.182789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.182789 (E_RNA) where: Base-Base interactions energy: -769.301 where: short stacking energy: -345.576 Base-Backbone interact. energy: 0.326 local terms energy: -432.207188 where: bonds (distance) C4'-P energy: -93.463 bonds (distance) P-C4' energy: -94.106 flat angles C4'-P-C4' energy: -103.473 flat angles P-C4'-P energy: -62.962 tors. eta vs tors. theta energy: -78.203 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: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1157.981926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.981926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.981926 (E_RNA) where: Base-Base interactions energy: -689.794 where: short stacking energy: -309.703 Base-Backbone interact. energy: -0.617 local terms energy: -467.570904 where: bonds (distance) C4'-P energy: -98.764 bonds (distance) P-C4' energy: -104.815 flat angles C4'-P-C4' energy: -104.634 flat angles P-C4'-P energy: -67.473 tors. eta vs tors. theta energy: -91.885 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: 8, replica: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -797.302175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.302175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.302175 (E_RNA) where: Base-Base interactions energy: -431.205 where: short stacking energy: -197.257 Base-Backbone interact. energy: -0.256 local terms energy: -365.841061 where: bonds (distance) C4'-P energy: -96.154 bonds (distance) P-C4' energy: -91.132 flat angles C4'-P-C4' energy: -96.256 flat angles P-C4'-P energy: -58.692 tors. eta vs tors. theta energy: -23.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -458.995020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.995020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.995020 (E_RNA) where: Base-Base interactions energy: -191.165 where: short stacking energy: -143.385 Base-Backbone interact. energy: -1.212 local terms energy: -266.618341 where: bonds (distance) C4'-P energy: -77.898 bonds (distance) P-C4' energy: -100.813 flat angles C4'-P-C4' energy: -68.060 flat angles P-C4'-P energy: -34.602 tors. eta vs tors. theta energy: 14.755 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: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -399.478828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.478828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.478828 (E_RNA) where: Base-Base interactions energy: -135.909 where: short stacking energy: -112.741 Base-Backbone interact. energy: -1.268 local terms energy: -262.301240 where: bonds (distance) C4'-P energy: -87.925 bonds (distance) P-C4' energy: -92.540 flat angles C4'-P-C4' energy: -78.487 flat angles P-C4'-P energy: -42.745 tors. eta vs tors. theta energy: 39.395 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: 7 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1858.385419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.385419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.385419 (E_RNA) where: Base-Base interactions energy: -1233.311 where: short stacking energy: -541.712 Base-Backbone interact. energy: 2.410 local terms energy: -627.484867 where: bonds (distance) C4'-P energy: -118.669 bonds (distance) P-C4' energy: -120.534 flat angles C4'-P-C4' energy: -133.791 flat angles P-C4'-P energy: -89.679 tors. eta vs tors. theta energy: -164.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1720.720752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.720752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.720752 (E_RNA) where: Base-Base interactions energy: -1164.863 where: short stacking energy: -480.653 Base-Backbone interact. energy: -1.088 local terms energy: -554.769631 where: bonds (distance) C4'-P energy: -118.630 bonds (distance) P-C4' energy: -108.513 flat angles C4'-P-C4' energy: -121.417 flat angles P-C4'-P energy: -69.056 tors. eta vs tors. theta energy: -137.154 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: 244 Temperature: 1.000000 Total energy: -1615.732780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.732780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.732780 (E_RNA) where: Base-Base interactions energy: -1085.914 where: short stacking energy: -470.085 Base-Backbone interact. energy: -2.548 local terms energy: -527.270305 where: bonds (distance) C4'-P energy: -94.180 bonds (distance) P-C4' energy: -112.246 flat angles C4'-P-C4' energy: -117.039 flat angles P-C4'-P energy: -80.369 tors. eta vs tors. theta energy: -123.437 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: 4, replica: 5 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1463.011854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.011854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.011854 (E_RNA) where: Base-Base interactions energy: -941.539 where: short stacking energy: -415.008 Base-Backbone interact. energy: -0.501 local terms energy: -520.971857 where: bonds (distance) C4'-P energy: -97.755 bonds (distance) P-C4' energy: -109.758 flat angles C4'-P-C4' energy: -116.994 flat angles P-C4'-P energy: -74.412 tors. eta vs tors. theta energy: -122.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1329.709912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.709912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.709912 (E_RNA) where: Base-Base interactions energy: -872.228 where: short stacking energy: -379.312 Base-Backbone interact. energy: -0.717 local terms energy: -456.764684 where: bonds (distance) C4'-P energy: -93.558 bonds (distance) P-C4' energy: -105.440 flat angles C4'-P-C4' energy: -109.792 flat angles P-C4'-P energy: -61.197 tors. eta vs tors. theta energy: -86.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1176.768785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.768785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.768785 (E_RNA) where: Base-Base interactions energy: -740.551 where: short stacking energy: -348.909 Base-Backbone interact. energy: 0.044 local terms energy: -436.261132 where: bonds (distance) C4'-P energy: -99.302 bonds (distance) P-C4' energy: -96.860 flat angles C4'-P-C4' energy: -96.461 flat angles P-C4'-P energy: -61.548 tors. eta vs tors. theta energy: -82.091 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: 8 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1062.529668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.529668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.529668 (E_RNA) where: Base-Base interactions energy: -679.084 where: short stacking energy: -270.611 Base-Backbone interact. energy: 1.185 local terms energy: -384.630053 where: bonds (distance) C4'-P energy: -86.677 bonds (distance) P-C4' energy: -88.994 flat angles C4'-P-C4' energy: -108.018 flat angles P-C4'-P energy: -48.418 tors. eta vs tors. theta energy: -52.523 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: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -801.073082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.073082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.073082 (E_RNA) where: Base-Base interactions energy: -428.742 where: short stacking energy: -224.050 Base-Backbone interact. energy: -3.431 local terms energy: -368.899206 where: bonds (distance) C4'-P energy: -96.655 bonds (distance) P-C4' energy: -76.418 flat angles C4'-P-C4' energy: -110.958 flat angles P-C4'-P energy: -55.619 tors. eta vs tors. theta energy: -29.248 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: 4 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -469.399467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.399467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.399467 (E_RNA) where: Base-Base interactions energy: -179.793 where: short stacking energy: -133.550 Base-Backbone interact. energy: -1.271 local terms energy: -288.334925 where: bonds (distance) C4'-P energy: -104.381 bonds (distance) P-C4' energy: -79.492 flat angles C4'-P-C4' energy: -68.020 flat angles P-C4'-P energy: -56.647 tors. eta vs tors. theta energy: 20.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -411.957613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.957613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.957613 (E_RNA) where: Base-Base interactions energy: -132.524 where: short stacking energy: -88.735 Base-Backbone interact. energy: 2.967 local terms energy: -282.401036 where: bonds (distance) C4'-P energy: -78.504 bonds (distance) P-C4' energy: -80.674 flat angles C4'-P-C4' energy: -92.094 flat angles P-C4'-P energy: -60.002 tors. eta vs tors. theta energy: 28.874 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: 1, replica: 7 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1851.373749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.373749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.373749 (E_RNA) where: Base-Base interactions energy: -1242.182 where: short stacking energy: -555.084 Base-Backbone interact. energy: -1.933 local terms energy: -607.258240 where: bonds (distance) C4'-P energy: -116.114 bonds (distance) P-C4' energy: -120.882 flat angles C4'-P-C4' energy: -125.278 flat angles P-C4'-P energy: -80.805 tors. eta vs tors. theta energy: -164.178 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: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1704.289621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.289621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.289621 (E_RNA) where: Base-Base interactions energy: -1163.004 where: short stacking energy: -499.360 Base-Backbone interact. energy: -1.120 local terms energy: -540.164968 where: bonds (distance) C4'-P energy: -105.353 bonds (distance) P-C4' energy: -103.411 flat angles C4'-P-C4' energy: -119.131 flat angles P-C4'-P energy: -69.706 tors. eta vs tors. theta energy: -142.564 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: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1628.644257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.644257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.644257 (E_RNA) where: Base-Base interactions energy: -1085.710 where: short stacking energy: -483.810 Base-Backbone interact. energy: 1.087 local terms energy: -544.021235 where: bonds (distance) C4'-P energy: -100.486 bonds (distance) P-C4' energy: -92.872 flat angles C4'-P-C4' energy: -128.589 flat angles P-C4'-P energy: -75.313 tors. eta vs tors. theta energy: -146.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1485.791331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.791331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.791331 (E_RNA) where: Base-Base interactions energy: -977.017 where: short stacking energy: -457.165 Base-Backbone interact. energy: -0.310 local terms energy: -508.464754 where: bonds (distance) C4'-P energy: -104.843 bonds (distance) P-C4' energy: -106.888 flat angles C4'-P-C4' energy: -109.075 flat angles P-C4'-P energy: -59.145 tors. eta vs tors. theta energy: -128.514 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: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1395.711651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.711651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.711651 (E_RNA) where: Base-Base interactions energy: -919.586 where: short stacking energy: -397.811 Base-Backbone interact. energy: 4.975 local terms energy: -481.100482 where: bonds (distance) C4'-P energy: -105.668 bonds (distance) P-C4' energy: -103.786 flat angles C4'-P-C4' energy: -112.375 flat angles P-C4'-P energy: -54.760 tors. eta vs tors. theta energy: -104.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1208.795550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.795550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.795550 (E_RNA) where: Base-Base interactions energy: -785.029 where: short stacking energy: -348.358 Base-Backbone interact. energy: -0.382 local terms energy: -423.384451 where: bonds (distance) C4'-P energy: -88.223 bonds (distance) P-C4' energy: -111.179 flat angles C4'-P-C4' energy: -97.602 flat angles P-C4'-P energy: -54.042 tors. eta vs tors. theta energy: -72.339 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: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1034.840733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.840733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.840733 (E_RNA) where: Base-Base interactions energy: -635.308 where: short stacking energy: -295.952 Base-Backbone interact. energy: 0.467 local terms energy: -399.999932 where: bonds (distance) C4'-P energy: -88.099 bonds (distance) P-C4' energy: -91.142 flat angles C4'-P-C4' energy: -102.715 flat angles P-C4'-P energy: -48.655 tors. eta vs tors. theta energy: -69.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -815.299945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.299945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.299945 (E_RNA) where: Base-Base interactions energy: -465.030 where: short stacking energy: -238.550 Base-Backbone interact. energy: -0.218 local terms energy: -350.051213 where: bonds (distance) C4'-P energy: -95.191 bonds (distance) P-C4' energy: -96.898 flat angles C4'-P-C4' energy: -72.421 flat angles P-C4'-P energy: -49.258 tors. eta vs tors. theta energy: -36.284 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: 9, replica: 4 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -458.847568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.847568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.847568 (E_RNA) where: Base-Base interactions energy: -154.210 where: short stacking energy: -119.222 Base-Backbone interact. energy: -1.836 local terms energy: -302.801462 where: bonds (distance) C4'-P energy: -87.989 bonds (distance) P-C4' energy: -89.472 flat angles C4'-P-C4' energy: -86.031 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: 16.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -441.503939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.503939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.503939 (E_RNA) where: Base-Base interactions energy: -171.983 where: short stacking energy: -124.152 Base-Backbone interact. energy: 3.324 local terms energy: -272.844525 where: bonds (distance) C4'-P energy: -85.116 bonds (distance) P-C4' energy: -104.324 flat angles C4'-P-C4' energy: -83.153 flat angles P-C4'-P energy: -25.014 tors. eta vs tors. theta energy: 24.763 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: 7 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1863.456281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.456281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.456281 (E_RNA) where: Base-Base interactions energy: -1295.806 where: short stacking energy: -555.158 Base-Backbone interact. energy: -1.626 local terms energy: -566.024788 where: bonds (distance) C4'-P energy: -111.394 bonds (distance) P-C4' energy: -105.048 flat angles C4'-P-C4' energy: -109.471 flat angles P-C4'-P energy: -81.105 tors. eta vs tors. theta energy: -159.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1712.628223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.628223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.628223 (E_RNA) where: Base-Base interactions energy: -1162.690 where: short stacking energy: -479.668 Base-Backbone interact. energy: 0.190 local terms energy: -550.128483 where: bonds (distance) C4'-P energy: -108.279 bonds (distance) P-C4' energy: -106.395 flat angles C4'-P-C4' energy: -115.725 flat angles P-C4'-P energy: -80.726 tors. eta vs tors. theta energy: -139.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1698.134865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.134865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.134865 (E_RNA) where: Base-Base interactions energy: -1152.704 where: short stacking energy: -488.832 Base-Backbone interact. energy: -2.636 local terms energy: -542.794843 where: bonds (distance) C4'-P energy: -105.108 bonds (distance) P-C4' energy: -108.409 flat angles C4'-P-C4' energy: -112.454 flat angles P-C4'-P energy: -66.992 tors. eta vs tors. theta energy: -149.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1468.702055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.702055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.702055 (E_RNA) where: Base-Base interactions energy: -960.576 where: short stacking energy: -434.493 Base-Backbone interact. energy: -0.642 local terms energy: -507.483983 where: bonds (distance) C4'-P energy: -96.532 bonds (distance) P-C4' energy: -105.664 flat angles C4'-P-C4' energy: -107.993 flat angles P-C4'-P energy: -75.885 tors. eta vs tors. theta energy: -121.411 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: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1392.912385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.912385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.912385 (E_RNA) where: Base-Base interactions energy: -924.704 where: short stacking energy: -418.681 Base-Backbone interact. energy: 1.392 local terms energy: -469.600170 where: bonds (distance) C4'-P energy: -99.540 bonds (distance) P-C4' energy: -97.595 flat angles C4'-P-C4' energy: -98.314 flat angles P-C4'-P energy: -70.675 tors. eta vs tors. theta energy: -103.476 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: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1247.234649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.234649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.234649 (E_RNA) where: Base-Base interactions energy: -801.146 where: short stacking energy: -373.278 Base-Backbone interact. energy: -2.083 local terms energy: -444.005772 where: bonds (distance) C4'-P energy: -112.828 bonds (distance) P-C4' energy: -84.262 flat angles C4'-P-C4' energy: -97.076 flat angles P-C4'-P energy: -58.306 tors. eta vs tors. theta energy: -91.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1017.443007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.443007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.443007 (E_RNA) where: Base-Base interactions energy: -632.003 where: short stacking energy: -291.891 Base-Backbone interact. energy: 0.735 local terms energy: -386.175473 where: bonds (distance) C4'-P energy: -93.876 bonds (distance) P-C4' energy: -80.052 flat angles C4'-P-C4' energy: -96.213 flat angles P-C4'-P energy: -59.820 tors. eta vs tors. theta energy: -56.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -813.878659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.878659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.878659 (E_RNA) where: Base-Base interactions energy: -461.091 where: short stacking energy: -223.192 Base-Backbone interact. energy: 6.886 local terms energy: -359.673347 where: bonds (distance) C4'-P energy: -88.939 bonds (distance) P-C4' energy: -109.174 flat angles C4'-P-C4' energy: -89.386 flat angles P-C4'-P energy: -48.198 tors. eta vs tors. theta energy: -23.977 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: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -480.663471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.663471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.663471 (E_RNA) where: Base-Base interactions energy: -192.725 where: short stacking energy: -155.739 Base-Backbone interact. energy: 1.885 local terms energy: -289.823139 where: bonds (distance) C4'-P energy: -79.343 bonds (distance) P-C4' energy: -90.686 flat angles C4'-P-C4' energy: -82.014 flat angles P-C4'-P energy: -41.624 tors. eta vs tors. theta energy: 3.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -423.151423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.151423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.151423 (E_RNA) where: Base-Base interactions energy: -130.057 where: short stacking energy: -107.897 Base-Backbone interact. energy: 0.968 local terms energy: -294.062343 where: bonds (distance) C4'-P energy: -96.631 bonds (distance) P-C4' energy: -95.938 flat angles C4'-P-C4' energy: -78.204 flat angles P-C4'-P energy: -38.228 tors. eta vs tors. theta energy: 14.938 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: 247 Temperature: 0.900000 Total energy: -1874.670782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.670782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.670782 (E_RNA) where: Base-Base interactions energy: -1264.035 where: short stacking energy: -550.618 Base-Backbone interact. energy: -1.824 local terms energy: -608.811545 where: bonds (distance) C4'-P energy: -121.229 bonds (distance) P-C4' energy: -92.983 flat angles C4'-P-C4' energy: -126.612 flat angles P-C4'-P energy: -100.498 tors. eta vs tors. theta energy: -167.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1772.016919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.016919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.016919 (E_RNA) where: Base-Base interactions energy: -1219.503 where: short stacking energy: -496.190 Base-Backbone interact. energy: -2.105 local terms energy: -550.408785 where: bonds (distance) C4'-P energy: -116.820 bonds (distance) P-C4' energy: -102.089 flat angles C4'-P-C4' energy: -117.294 flat angles P-C4'-P energy: -79.927 tors. eta vs tors. theta energy: -134.279 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: 247 Temperature: 1.000000 Total energy: -1616.145312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.145312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.145312 (E_RNA) where: Base-Base interactions energy: -1081.062 where: short stacking energy: -473.760 Base-Backbone interact. energy: 4.160 local terms energy: -539.243407 where: bonds (distance) C4'-P energy: -94.843 bonds (distance) P-C4' energy: -108.683 flat angles C4'-P-C4' energy: -109.737 flat angles P-C4'-P energy: -76.570 tors. eta vs tors. theta energy: -149.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1396.854091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.854091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.854091 (E_RNA) where: Base-Base interactions energy: -909.225 where: short stacking energy: -406.236 Base-Backbone interact. energy: 0.607 local terms energy: -488.236791 where: bonds (distance) C4'-P energy: -98.421 bonds (distance) P-C4' energy: -97.810 flat angles C4'-P-C4' energy: -114.218 flat angles P-C4'-P energy: -67.236 tors. eta vs tors. theta energy: -110.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1344.692525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.692525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.692525 (E_RNA) where: Base-Base interactions energy: -892.453 where: short stacking energy: -389.927 Base-Backbone interact. energy: -1.087 local terms energy: -451.152528 where: bonds (distance) C4'-P energy: -96.404 bonds (distance) P-C4' energy: -82.617 flat angles C4'-P-C4' energy: -105.812 flat angles P-C4'-P energy: -63.674 tors. eta vs tors. theta energy: -102.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1211.945792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.945792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.945792 (E_RNA) where: Base-Base interactions energy: -756.257 where: short stacking energy: -346.002 Base-Backbone interact. energy: -2.734 local terms energy: -452.954950 where: bonds (distance) C4'-P energy: -97.461 bonds (distance) P-C4' energy: -103.263 flat angles C4'-P-C4' energy: -115.639 flat angles P-C4'-P energy: -47.388 tors. eta vs tors. theta energy: -89.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -950.403448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.403448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.403448 (E_RNA) where: Base-Base interactions energy: -581.830 where: short stacking energy: -270.561 Base-Backbone interact. energy: -1.721 local terms energy: -366.852371 where: bonds (distance) C4'-P energy: -96.630 bonds (distance) P-C4' energy: -102.715 flat angles C4'-P-C4' energy: -67.718 flat angles P-C4'-P energy: -59.551 tors. eta vs tors. theta energy: -40.238 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: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -751.095614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.095614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.095614 (E_RNA) where: Base-Base interactions energy: -409.137 where: short stacking energy: -204.391 Base-Backbone interact. energy: -3.243 local terms energy: -338.715575 where: bonds (distance) C4'-P energy: -85.302 bonds (distance) P-C4' energy: -90.823 flat angles C4'-P-C4' energy: -92.077 flat angles P-C4'-P energy: -57.035 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: 9, replica: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -471.502210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.502210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.502210 (E_RNA) where: Base-Base interactions energy: -179.892 where: short stacking energy: -134.996 Base-Backbone interact. energy: 2.880 local terms energy: -294.490067 where: bonds (distance) C4'-P energy: -101.980 bonds (distance) P-C4' energy: -92.563 flat angles C4'-P-C4' energy: -83.691 flat angles P-C4'-P energy: -37.905 tors. eta vs tors. theta energy: 21.648 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: 10, replica: 9 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -397.085186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.085186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.085186 (E_RNA) where: Base-Base interactions energy: -126.786 where: short stacking energy: -111.326 Base-Backbone interact. energy: 2.604 local terms energy: -272.903331 where: bonds (distance) C4'-P energy: -109.569 bonds (distance) P-C4' energy: -80.372 flat angles C4'-P-C4' energy: -73.218 flat angles P-C4'-P energy: -32.855 tors. eta vs tors. theta energy: 23.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1877.328542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.328542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.328542 (E_RNA) where: Base-Base interactions energy: -1267.161 where: short stacking energy: -548.421 Base-Backbone interact. energy: -2.037 local terms energy: -608.130486 where: bonds (distance) C4'-P energy: -106.779 bonds (distance) P-C4' energy: -103.830 flat angles C4'-P-C4' energy: -127.936 flat angles P-C4'-P energy: -98.584 tors. eta vs tors. theta energy: -171.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1745.477450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.477450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.477450 (E_RNA) where: Base-Base interactions energy: -1219.804 where: short stacking energy: -504.061 Base-Backbone interact. energy: 1.698 local terms energy: -527.370777 where: bonds (distance) C4'-P energy: -100.978 bonds (distance) P-C4' energy: -100.850 flat angles C4'-P-C4' energy: -121.888 flat angles P-C4'-P energy: -67.907 tors. eta vs tors. theta energy: -135.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1617.487249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.487249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.487249 (E_RNA) where: Base-Base interactions energy: -1082.385 where: short stacking energy: -448.889 Base-Backbone interact. energy: -2.968 local terms energy: -532.133970 where: bonds (distance) C4'-P energy: -109.047 bonds (distance) P-C4' energy: -109.320 flat angles C4'-P-C4' energy: -112.542 flat angles P-C4'-P energy: -65.519 tors. eta vs tors. theta energy: -135.706 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: 5 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1432.983119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.983119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.983119 (E_RNA) where: Base-Base interactions energy: -935.501 where: short stacking energy: -430.181 Base-Backbone interact. energy: -4.211 local terms energy: -493.271296 where: bonds (distance) C4'-P energy: -97.303 bonds (distance) P-C4' energy: -106.620 flat angles C4'-P-C4' energy: -100.547 flat angles P-C4'-P energy: -76.929 tors. eta vs tors. theta energy: -111.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1404.425330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.425330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.425330 (E_RNA) where: Base-Base interactions energy: -914.935 where: short stacking energy: -404.161 Base-Backbone interact. energy: -4.691 local terms energy: -484.799122 where: bonds (distance) C4'-P energy: -91.124 bonds (distance) P-C4' energy: -90.963 flat angles C4'-P-C4' energy: -106.680 flat angles P-C4'-P energy: -73.948 tors. eta vs tors. theta energy: -122.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1304.206540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.206540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.206540 (E_RNA) where: Base-Base interactions energy: -832.537 where: short stacking energy: -370.509 Base-Backbone interact. energy: -1.015 local terms energy: -470.654553 where: bonds (distance) C4'-P energy: -107.395 bonds (distance) P-C4' energy: -92.087 flat angles C4'-P-C4' energy: -110.490 flat angles P-C4'-P energy: -71.738 tors. eta vs tors. theta energy: -88.945 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: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -993.917048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.917048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.917048 (E_RNA) where: Base-Base interactions energy: -606.438 where: short stacking energy: -289.278 Base-Backbone interact. energy: 0.329 local terms energy: -387.808268 where: bonds (distance) C4'-P energy: -88.481 bonds (distance) P-C4' energy: -94.852 flat angles C4'-P-C4' energy: -93.873 flat angles P-C4'-P energy: -52.448 tors. eta vs tors. theta energy: -58.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -745.965362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.965362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.965362 (E_RNA) where: Base-Base interactions energy: -374.516 where: short stacking energy: -210.261 Base-Backbone interact. energy: 1.005 local terms energy: -372.454394 where: bonds (distance) C4'-P energy: -99.951 bonds (distance) P-C4' energy: -104.395 flat angles C4'-P-C4' energy: -81.824 flat angles P-C4'-P energy: -52.573 tors. eta vs tors. theta energy: -33.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -477.857313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.857313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.857313 (E_RNA) where: Base-Base interactions energy: -191.305 where: short stacking energy: -149.473 Base-Backbone interact. energy: 2.024 local terms energy: -288.576126 where: bonds (distance) C4'-P energy: -95.132 bonds (distance) P-C4' energy: -87.243 flat angles C4'-P-C4' energy: -77.213 flat angles P-C4'-P energy: -45.728 tors. eta vs tors. theta energy: 16.739 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: 9 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -477.206258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.206258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.206258 (E_RNA) where: Base-Base interactions energy: -185.196 where: short stacking energy: -124.485 Base-Backbone interact. energy: 9.661 local terms energy: -301.671917 where: bonds (distance) C4'-P energy: -93.271 bonds (distance) P-C4' energy: -93.066 flat angles C4'-P-C4' energy: -61.446 flat angles P-C4'-P energy: -57.794 tors. eta vs tors. theta energy: 3.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1874.484429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.484429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.484429 (E_RNA) where: Base-Base interactions energy: -1269.137 where: short stacking energy: -548.277 Base-Backbone interact. energy: -1.522 local terms energy: -603.825774 where: bonds (distance) C4'-P energy: -123.401 bonds (distance) P-C4' energy: -99.809 flat angles C4'-P-C4' energy: -125.411 flat angles P-C4'-P energy: -83.332 tors. eta vs tors. theta energy: -171.873 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: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1692.869734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.869734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.869734 (E_RNA) where: Base-Base interactions energy: -1112.731 where: short stacking energy: -492.833 Base-Backbone interact. energy: -0.690 local terms energy: -579.448752 where: bonds (distance) C4'-P energy: -122.671 bonds (distance) P-C4' energy: -105.612 flat angles C4'-P-C4' energy: -121.666 flat angles P-C4'-P energy: -84.935 tors. eta vs tors. theta energy: -144.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1627.571165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.571165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.571165 (E_RNA) where: Base-Base interactions energy: -1102.295 where: short stacking energy: -449.837 Base-Backbone interact. energy: 0.574 local terms energy: -525.850096 where: bonds (distance) C4'-P energy: -103.232 bonds (distance) P-C4' energy: -93.976 flat angles C4'-P-C4' energy: -122.053 flat angles P-C4'-P energy: -74.213 tors. eta vs tors. theta energy: -132.375 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: 6 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1418.974676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.974676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.974676 (E_RNA) where: Base-Base interactions energy: -933.226 where: short stacking energy: -404.513 Base-Backbone interact. energy: -2.333 local terms energy: -483.414891 where: bonds (distance) C4'-P energy: -93.743 bonds (distance) P-C4' energy: -107.728 flat angles C4'-P-C4' energy: -117.976 flat angles P-C4'-P energy: -64.617 tors. eta vs tors. theta energy: -99.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1357.072411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.072411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.072411 (E_RNA) where: Base-Base interactions energy: -885.142 where: short stacking energy: -390.806 Base-Backbone interact. energy: -1.014 local terms energy: -470.916747 where: bonds (distance) C4'-P energy: -91.650 bonds (distance) P-C4' energy: -109.354 flat angles C4'-P-C4' energy: -102.276 flat angles P-C4'-P energy: -56.494 tors. eta vs tors. theta energy: -111.142 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: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1293.738022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.738022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.738022 (E_RNA) where: Base-Base interactions energy: -845.007 where: short stacking energy: -364.192 Base-Backbone interact. energy: -1.478 local terms energy: -447.252242 where: bonds (distance) C4'-P energy: -92.356 bonds (distance) P-C4' energy: -89.322 flat angles C4'-P-C4' energy: -107.923 flat angles P-C4'-P energy: -70.379 tors. eta vs tors. theta energy: -87.273 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: 249 Temperature: 1.200000 Total energy: -990.099441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.099441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.099441 (E_RNA) where: Base-Base interactions energy: -604.718 where: short stacking energy: -299.104 Base-Backbone interact. energy: -3.423 local terms energy: -381.958046 where: bonds (distance) C4'-P energy: -83.843 bonds (distance) P-C4' energy: -103.260 flat angles C4'-P-C4' energy: -84.133 flat angles P-C4'-P energy: -56.664 tors. eta vs tors. theta energy: -54.058 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: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -762.617642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.617642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.617642 (E_RNA) where: Base-Base interactions energy: -438.888 where: short stacking energy: -238.179 Base-Backbone interact. energy: 2.311 local terms energy: -326.040380 where: bonds (distance) C4'-P energy: -78.446 bonds (distance) P-C4' energy: -86.790 flat angles C4'-P-C4' energy: -75.034 flat angles P-C4'-P energy: -54.881 tors. eta vs tors. theta energy: -30.889 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: 9, replica: 4 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -431.742282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.742282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.742282 (E_RNA) where: Base-Base interactions energy: -179.886 where: short stacking energy: -109.468 Base-Backbone interact. energy: 0.622 local terms energy: -252.478753 where: bonds (distance) C4'-P energy: -72.373 bonds (distance) P-C4' energy: -92.975 flat angles C4'-P-C4' energy: -70.867 flat angles P-C4'-P energy: -44.326 tors. eta vs tors. theta energy: 28.063 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: 9 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -420.602583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.602583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.602583 (E_RNA) where: Base-Base interactions energy: -158.763 where: short stacking energy: -104.261 Base-Backbone interact. energy: 4.811 local terms energy: -266.650666 where: bonds (distance) C4'-P energy: -70.393 bonds (distance) P-C4' energy: -98.349 flat angles C4'-P-C4' energy: -78.751 flat angles P-C4'-P energy: -45.611 tors. eta vs tors. theta energy: 26.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1907.256479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.256479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.256479 (E_RNA) where: Base-Base interactions energy: -1295.946 where: short stacking energy: -589.090 Base-Backbone interact. energy: 1.009 local terms energy: -612.319780 where: bonds (distance) C4'-P energy: -109.101 bonds (distance) P-C4' energy: -113.480 flat angles C4'-P-C4' energy: -131.157 flat angles P-C4'-P energy: -82.193 tors. eta vs tors. theta energy: -176.387 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: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1732.288207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.288207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.288207 (E_RNA) where: Base-Base interactions energy: -1170.376 where: short stacking energy: -489.843 Base-Backbone interact. energy: 2.843 local terms energy: -564.755770 where: bonds (distance) C4'-P energy: -107.899 bonds (distance) P-C4' energy: -109.371 flat angles C4'-P-C4' energy: -129.945 flat angles P-C4'-P energy: -76.976 tors. eta vs tors. theta energy: -140.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1634.104686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.104686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.104686 (E_RNA) where: Base-Base interactions energy: -1087.146 where: short stacking energy: -460.529 Base-Backbone interact. energy: -1.630 local terms energy: -545.328617 where: bonds (distance) C4'-P energy: -109.989 bonds (distance) P-C4' energy: -112.434 flat angles C4'-P-C4' energy: -112.266 flat angles P-C4'-P energy: -89.281 tors. eta vs tors. theta energy: -121.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1406.938228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.938228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.938228 (E_RNA) where: Base-Base interactions energy: -897.576 where: short stacking energy: -428.916 Base-Backbone interact. energy: -1.643 local terms energy: -507.718829 where: bonds (distance) C4'-P energy: -107.174 bonds (distance) P-C4' energy: -107.273 flat angles C4'-P-C4' energy: -112.467 flat angles P-C4'-P energy: -74.189 tors. eta vs tors. theta energy: -106.615 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: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1419.774595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.774595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.774595 (E_RNA) where: Base-Base interactions energy: -918.616 where: short stacking energy: -425.021 Base-Backbone interact. energy: -1.772 local terms energy: -499.386882 where: bonds (distance) C4'-P energy: -81.058 bonds (distance) P-C4' energy: -103.653 flat angles C4'-P-C4' energy: -117.222 flat angles P-C4'-P energy: -72.183 tors. eta vs tors. theta energy: -125.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1277.113996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.113996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.113996 (E_RNA) where: Base-Base interactions energy: -860.489 where: short stacking energy: -384.250 Base-Backbone interact. energy: -0.717 local terms energy: -415.907877 where: bonds (distance) C4'-P energy: -91.748 bonds (distance) P-C4' energy: -82.282 flat angles C4'-P-C4' energy: -104.635 flat angles P-C4'-P energy: -51.448 tors. eta vs tors. theta energy: -85.795 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: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -983.740308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.740308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.740308 (E_RNA) where: Base-Base interactions energy: -591.501 where: short stacking energy: -271.287 Base-Backbone interact. energy: -5.339 local terms energy: -386.901017 where: bonds (distance) C4'-P energy: -90.330 bonds (distance) P-C4' energy: -100.586 flat angles C4'-P-C4' energy: -81.686 flat angles P-C4'-P energy: -60.384 tors. eta vs tors. theta energy: -53.915 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: 10 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -765.483121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.483121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.483121 (E_RNA) where: Base-Base interactions energy: -425.607 where: short stacking energy: -229.555 Base-Backbone interact. energy: 3.284 local terms energy: -343.159698 where: bonds (distance) C4'-P energy: -81.726 bonds (distance) P-C4' energy: -111.863 flat angles C4'-P-C4' energy: -78.801 flat angles P-C4'-P energy: -47.250 tors. eta vs tors. theta energy: -23.520 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: 4 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -494.672972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.672972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.672972 (E_RNA) where: Base-Base interactions energy: -196.220 where: short stacking energy: -132.849 Base-Backbone interact. energy: -1.422 local terms energy: -297.031378 where: bonds (distance) C4'-P energy: -87.313 bonds (distance) P-C4' energy: -95.492 flat angles C4'-P-C4' energy: -85.635 flat angles P-C4'-P energy: -22.706 tors. eta vs tors. theta energy: -5.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -424.725449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.725449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.725449 (E_RNA) where: Base-Base interactions energy: -164.403 where: short stacking energy: -133.693 Base-Backbone interact. energy: 2.618 local terms energy: -262.940228 where: bonds (distance) C4'-P energy: -80.865 bonds (distance) P-C4' energy: -96.917 flat angles C4'-P-C4' energy: -71.508 flat angles P-C4'-P energy: -44.958 tors. eta vs tors. theta energy: 31.307 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: 251 Temperature: 0.900000 Total energy: -1892.371578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.371578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.371578 (E_RNA) where: Base-Base interactions energy: -1309.606 where: short stacking energy: -579.095 Base-Backbone interact. energy: -2.641 local terms energy: -580.125258 where: bonds (distance) C4'-P energy: -96.696 bonds (distance) P-C4' energy: -109.598 flat angles C4'-P-C4' energy: -128.664 flat angles P-C4'-P energy: -77.424 tors. eta vs tors. theta energy: -167.743 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: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1710.826595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.826595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.826595 (E_RNA) where: Base-Base interactions energy: -1187.658 where: short stacking energy: -469.717 Base-Backbone interact. energy: -0.977 local terms energy: -522.191735 where: bonds (distance) C4'-P energy: -124.580 bonds (distance) P-C4' energy: -93.842 flat angles C4'-P-C4' energy: -108.620 flat angles P-C4'-P energy: -69.859 tors. eta vs tors. theta energy: -125.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1591.058706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.058706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.058706 (E_RNA) where: Base-Base interactions energy: -1086.255 where: short stacking energy: -432.171 Base-Backbone interact. energy: -1.501 local terms energy: -503.302491 where: bonds (distance) C4'-P energy: -93.964 bonds (distance) P-C4' energy: -106.119 flat angles C4'-P-C4' energy: -112.724 flat angles P-C4'-P energy: -71.360 tors. eta vs tors. theta energy: -119.136 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: 4, replica: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1435.787017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.787017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.787017 (E_RNA) where: Base-Base interactions energy: -914.833 where: short stacking energy: -401.458 Base-Backbone interact. energy: 0.876 local terms energy: -521.829801 where: bonds (distance) C4'-P energy: -125.823 bonds (distance) P-C4' energy: -107.275 flat angles C4'-P-C4' energy: -100.415 flat angles P-C4'-P energy: -70.039 tors. eta vs tors. theta energy: -118.278 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: 6 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1405.716192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.716192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.716192 (E_RNA) where: Base-Base interactions energy: -906.065 where: short stacking energy: -403.049 Base-Backbone interact. energy: -2.176 local terms energy: -497.475252 where: bonds (distance) C4'-P energy: -98.174 bonds (distance) P-C4' energy: -109.965 flat angles C4'-P-C4' energy: -110.623 flat angles P-C4'-P energy: -75.491 tors. eta vs tors. theta energy: -103.221 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: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1228.905358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.905358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.905358 (E_RNA) where: Base-Base interactions energy: -800.877 where: short stacking energy: -364.509 Base-Backbone interact. energy: -0.277 local terms energy: -427.750976 where: bonds (distance) C4'-P energy: -82.829 bonds (distance) P-C4' energy: -97.948 flat angles C4'-P-C4' energy: -101.632 flat angles P-C4'-P energy: -67.052 tors. eta vs tors. theta energy: -78.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -997.641765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.641765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.641765 (E_RNA) where: Base-Base interactions energy: -595.143 where: short stacking energy: -276.609 Base-Backbone interact. energy: -3.092 local terms energy: -399.406368 where: bonds (distance) C4'-P energy: -83.287 bonds (distance) P-C4' energy: -110.552 flat angles C4'-P-C4' energy: -82.593 flat angles P-C4'-P energy: -72.166 tors. eta vs tors. theta energy: -50.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -793.143007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.143007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.143007 (E_RNA) where: Base-Base interactions energy: -449.654 where: short stacking energy: -246.506 Base-Backbone interact. energy: -0.123 local terms energy: -343.365677 where: bonds (distance) C4'-P energy: -83.415 bonds (distance) P-C4' energy: -87.076 flat angles C4'-P-C4' energy: -77.741 flat angles P-C4'-P energy: -53.170 tors. eta vs tors. theta energy: -41.965 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: 4 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -455.236515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.236515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.236515 (E_RNA) where: Base-Base interactions energy: -159.708 where: short stacking energy: -111.876 Base-Backbone interact. energy: 5.093 local terms energy: -300.621589 where: bonds (distance) C4'-P energy: -90.251 bonds (distance) P-C4' energy: -110.472 flat angles C4'-P-C4' energy: -72.735 flat angles P-C4'-P energy: -49.767 tors. eta vs tors. theta energy: 22.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -441.744082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.744082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.744082 (E_RNA) where: Base-Base interactions energy: -161.646 where: short stacking energy: -119.916 Base-Backbone interact. energy: 0.548 local terms energy: -280.646203 where: bonds (distance) C4'-P energy: -81.805 bonds (distance) P-C4' energy: -116.074 flat angles C4'-P-C4' energy: -52.759 flat angles P-C4'-P energy: -43.322 tors. eta vs tors. theta energy: 13.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1894.054646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.054646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.054646 (E_RNA) where: Base-Base interactions energy: -1314.431 where: short stacking energy: -559.285 Base-Backbone interact. energy: -3.633 local terms energy: -575.991179 where: bonds (distance) C4'-P energy: -102.321 bonds (distance) P-C4' energy: -113.719 flat angles C4'-P-C4' energy: -125.485 flat angles P-C4'-P energy: -73.424 tors. eta vs tors. theta energy: -161.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1732.031695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.031695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.031695 (E_RNA) where: Base-Base interactions energy: -1181.555 where: short stacking energy: -474.558 Base-Backbone interact. energy: 0.854 local terms energy: -551.329947 where: bonds (distance) C4'-P energy: -107.765 bonds (distance) P-C4' energy: -106.804 flat angles C4'-P-C4' energy: -117.561 flat angles P-C4'-P energy: -81.237 tors. eta vs tors. theta energy: -137.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1626.515854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.515854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.515854 (E_RNA) where: Base-Base interactions energy: -1088.292 where: short stacking energy: -450.011 Base-Backbone interact. energy: -3.876 local terms energy: -534.347672 where: bonds (distance) C4'-P energy: -113.153 bonds (distance) P-C4' energy: -103.247 flat angles C4'-P-C4' energy: -121.546 flat angles P-C4'-P energy: -70.982 tors. eta vs tors. theta energy: -125.420 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: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1407.509569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.509569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.509569 (E_RNA) where: Base-Base interactions energy: -918.520 where: short stacking energy: -402.683 Base-Backbone interact. energy: 2.069 local terms energy: -491.057892 where: bonds (distance) C4'-P energy: -106.351 bonds (distance) P-C4' energy: -92.773 flat angles C4'-P-C4' energy: -115.673 flat angles P-C4'-P energy: -74.288 tors. eta vs tors. theta energy: -101.973 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: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1360.700598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.700598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.700598 (E_RNA) where: Base-Base interactions energy: -886.242 where: short stacking energy: -410.879 Base-Backbone interact. energy: -1.726 local terms energy: -472.732528 where: bonds (distance) C4'-P energy: -99.741 bonds (distance) P-C4' energy: -98.318 flat angles C4'-P-C4' energy: -105.558 flat angles P-C4'-P energy: -61.409 tors. eta vs tors. theta energy: -107.706 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: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1235.534910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.534910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.534910 (E_RNA) where: Base-Base interactions energy: -801.909 where: short stacking energy: -339.163 Base-Backbone interact. energy: -0.601 local terms energy: -433.024948 where: bonds (distance) C4'-P energy: -84.716 bonds (distance) P-C4' energy: -95.527 flat angles C4'-P-C4' energy: -99.243 flat angles P-C4'-P energy: -64.013 tors. eta vs tors. theta energy: -89.526 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: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -991.327425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.327425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.327425 (E_RNA) where: Base-Base interactions energy: -612.370 where: short stacking energy: -281.139 Base-Backbone interact. energy: -0.586 local terms energy: -378.371421 where: bonds (distance) C4'-P energy: -99.249 bonds (distance) P-C4' energy: -85.917 flat angles C4'-P-C4' energy: -91.981 flat angles P-C4'-P energy: -58.246 tors. eta vs tors. theta energy: -42.978 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: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -779.787899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.787899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.787899 (E_RNA) where: Base-Base interactions energy: -420.184 where: short stacking energy: -228.129 Base-Backbone interact. energy: 1.064 local terms energy: -360.667435 where: bonds (distance) C4'-P energy: -104.044 bonds (distance) P-C4' energy: -95.123 flat angles C4'-P-C4' energy: -85.114 flat angles P-C4'-P energy: -41.770 tors. eta vs tors. theta energy: -34.616 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: 4 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -459.897390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.897390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.897390 (E_RNA) where: Base-Base interactions energy: -167.464 where: short stacking energy: -116.628 Base-Backbone interact. energy: 5.429 local terms energy: -297.862166 where: bonds (distance) C4'-P energy: -97.398 bonds (distance) P-C4' energy: -88.766 flat angles C4'-P-C4' energy: -89.915 flat angles P-C4'-P energy: -51.172 tors. eta vs tors. theta energy: 29.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -445.622385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.622385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.622385 (E_RNA) where: Base-Base interactions energy: -133.471 where: short stacking energy: -114.518 Base-Backbone interact. energy: -1.918 local terms energy: -310.233406 where: bonds (distance) C4'-P energy: -106.105 bonds (distance) P-C4' energy: -100.324 flat angles C4'-P-C4' energy: -72.145 flat angles P-C4'-P energy: -52.545 tors. eta vs tors. theta energy: 20.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1870.589843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.589843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.589843 (E_RNA) where: Base-Base interactions energy: -1252.182 where: short stacking energy: -542.357 Base-Backbone interact. energy: -0.643 local terms energy: -617.764501 where: bonds (distance) C4'-P energy: -118.594 bonds (distance) P-C4' energy: -124.148 flat angles C4'-P-C4' energy: -136.543 flat angles P-C4'-P energy: -77.570 tors. eta vs tors. theta energy: -160.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1764.575889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.575889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.575889 (E_RNA) where: Base-Base interactions energy: -1205.100 where: short stacking energy: -464.269 Base-Backbone interact. energy: -0.867 local terms energy: -558.609235 where: bonds (distance) C4'-P energy: -110.110 bonds (distance) P-C4' energy: -110.588 flat angles C4'-P-C4' energy: -123.210 flat angles P-C4'-P energy: -77.381 tors. eta vs tors. theta energy: -137.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1590.435549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.435549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.435549 (E_RNA) where: Base-Base interactions energy: -1071.093 where: short stacking energy: -435.523 Base-Backbone interact. energy: -2.469 local terms energy: -516.873815 where: bonds (distance) C4'-P energy: -109.010 bonds (distance) P-C4' energy: -107.052 flat angles C4'-P-C4' energy: -106.894 flat angles P-C4'-P energy: -75.927 tors. eta vs tors. theta energy: -117.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1453.255212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.255212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.255212 (E_RNA) where: Base-Base interactions energy: -955.104 where: short stacking energy: -449.258 Base-Backbone interact. energy: -1.678 local terms energy: -496.473213 where: bonds (distance) C4'-P energy: -101.597 bonds (distance) P-C4' energy: -106.458 flat angles C4'-P-C4' energy: -101.839 flat angles P-C4'-P energy: -70.836 tors. eta vs tors. theta energy: -115.743 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: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1412.082897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.082897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.082897 (E_RNA) where: Base-Base interactions energy: -905.291 where: short stacking energy: -400.051 Base-Backbone interact. energy: 0.732 local terms energy: -507.523697 where: bonds (distance) C4'-P energy: -94.924 bonds (distance) P-C4' energy: -112.753 flat angles C4'-P-C4' energy: -118.885 flat angles P-C4'-P energy: -71.351 tors. eta vs tors. theta energy: -109.612 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: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1271.390071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.390071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.390071 (E_RNA) where: Base-Base interactions energy: -794.111 where: short stacking energy: -355.354 Base-Backbone interact. energy: -0.857 local terms energy: -476.422497 where: bonds (distance) C4'-P energy: -97.328 bonds (distance) P-C4' energy: -108.685 flat angles C4'-P-C4' energy: -102.947 flat angles P-C4'-P energy: -73.295 tors. eta vs tors. theta energy: -94.168 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: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -961.251533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.251533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.251533 (E_RNA) where: Base-Base interactions energy: -584.216 where: short stacking energy: -299.437 Base-Backbone interact. energy: -1.224 local terms energy: -375.811462 where: bonds (distance) C4'-P energy: -92.068 bonds (distance) P-C4' energy: -90.544 flat angles C4'-P-C4' energy: -84.318 flat angles P-C4'-P energy: -57.813 tors. eta vs tors. theta energy: -51.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -771.894426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.894426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.894426 (E_RNA) where: Base-Base interactions energy: -415.352 where: short stacking energy: -212.301 Base-Backbone interact. energy: 1.301 local terms energy: -357.843282 where: bonds (distance) C4'-P energy: -72.896 bonds (distance) P-C4' energy: -100.572 flat angles C4'-P-C4' energy: -89.242 flat angles P-C4'-P energy: -66.159 tors. eta vs tors. theta energy: -28.974 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: 4 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -484.266761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.266761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.266761 (E_RNA) where: Base-Base interactions energy: -197.600 where: short stacking energy: -149.097 Base-Backbone interact. energy: -0.171 local terms energy: -286.495471 where: bonds (distance) C4'-P energy: -74.882 bonds (distance) P-C4' energy: -97.261 flat angles C4'-P-C4' energy: -72.953 flat angles P-C4'-P energy: -57.437 tors. eta vs tors. theta energy: 16.039 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: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -451.708704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.708704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.708704 (E_RNA) where: Base-Base interactions energy: -132.160 where: short stacking energy: -118.053 Base-Backbone interact. energy: 1.155 local terms energy: -320.704099 where: bonds (distance) C4'-P energy: -103.185 bonds (distance) P-C4' energy: -91.904 flat angles C4'-P-C4' energy: -88.378 flat angles P-C4'-P energy: -56.588 tors. eta vs tors. theta energy: 19.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1872.864534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.864534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.864534 (E_RNA) where: Base-Base interactions energy: -1258.511 where: short stacking energy: -545.173 Base-Backbone interact. energy: -3.256 local terms energy: -611.097551 where: bonds (distance) C4'-P energy: -113.920 bonds (distance) P-C4' energy: -109.970 flat angles C4'-P-C4' energy: -124.667 flat angles P-C4'-P energy: -90.770 tors. eta vs tors. theta energy: -171.771 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: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1801.380423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.380423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.380423 (E_RNA) where: Base-Base interactions energy: -1244.129 where: short stacking energy: -504.537 Base-Backbone interact. energy: 0.105 local terms energy: -557.357174 where: bonds (distance) C4'-P energy: -99.614 bonds (distance) P-C4' energy: -123.120 flat angles C4'-P-C4' energy: -114.732 flat angles P-C4'-P energy: -69.321 tors. eta vs tors. theta energy: -150.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1596.473951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.473951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.473951 (E_RNA) where: Base-Base interactions energy: -1077.115 where: short stacking energy: -441.337 Base-Backbone interact. energy: -2.348 local terms energy: -517.011806 where: bonds (distance) C4'-P energy: -102.110 bonds (distance) P-C4' energy: -104.479 flat angles C4'-P-C4' energy: -124.215 flat angles P-C4'-P energy: -63.136 tors. eta vs tors. theta energy: -123.072 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: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1426.987924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.987924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.987924 (E_RNA) where: Base-Base interactions energy: -910.598 where: short stacking energy: -413.064 Base-Backbone interact. energy: -1.366 local terms energy: -515.024139 where: bonds (distance) C4'-P energy: -105.278 bonds (distance) P-C4' energy: -106.214 flat angles C4'-P-C4' energy: -112.932 flat angles P-C4'-P energy: -75.582 tors. eta vs tors. theta energy: -115.018 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: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1413.474958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.474958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.474958 (E_RNA) where: Base-Base interactions energy: -948.725 where: short stacking energy: -403.797 Base-Backbone interact. energy: -0.714 local terms energy: -464.035738 where: bonds (distance) C4'-P energy: -91.293 bonds (distance) P-C4' energy: -94.692 flat angles C4'-P-C4' energy: -112.366 flat angles P-C4'-P energy: -64.951 tors. eta vs tors. theta energy: -100.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1327.341091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.341091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.341091 (E_RNA) where: Base-Base interactions energy: -847.768 where: short stacking energy: -383.764 Base-Backbone interact. energy: -3.314 local terms energy: -476.259571 where: bonds (distance) C4'-P energy: -104.402 bonds (distance) P-C4' energy: -87.556 flat angles C4'-P-C4' energy: -103.244 flat angles P-C4'-P energy: -72.296 tors. eta vs tors. theta energy: -108.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -959.782357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.782357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.782357 (E_RNA) where: Base-Base interactions energy: -577.200 where: short stacking energy: -270.533 Base-Backbone interact. energy: -2.776 local terms energy: -379.806687 where: bonds (distance) C4'-P energy: -101.115 bonds (distance) P-C4' energy: -89.061 flat angles C4'-P-C4' energy: -78.807 flat angles P-C4'-P energy: -67.824 tors. eta vs tors. theta energy: -42.999 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: 254 Temperature: 1.250000 Total energy: -829.673761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.673761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.673761 (E_RNA) where: Base-Base interactions energy: -478.909 where: short stacking energy: -242.197 Base-Backbone interact. energy: -0.695 local terms energy: -350.069697 where: bonds (distance) C4'-P energy: -86.215 bonds (distance) P-C4' energy: -105.280 flat angles C4'-P-C4' energy: -87.438 flat angles P-C4'-P energy: -43.365 tors. eta vs tors. theta energy: -27.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -515.371136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.371136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.371136 (E_RNA) where: Base-Base interactions energy: -179.533 where: short stacking energy: -126.604 Base-Backbone interact. energy: 3.544 local terms energy: -339.381759 where: bonds (distance) C4'-P energy: -111.778 bonds (distance) P-C4' energy: -103.245 flat angles C4'-P-C4' energy: -80.522 flat angles P-C4'-P energy: -51.082 tors. eta vs tors. theta energy: 7.245 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: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -437.314672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.314672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.314672 (E_RNA) where: Base-Base interactions energy: -139.832 where: short stacking energy: -125.821 Base-Backbone interact. energy: 1.609 local terms energy: -299.091024 where: bonds (distance) C4'-P energy: -93.244 bonds (distance) P-C4' energy: -101.339 flat angles C4'-P-C4' energy: -85.804 flat angles P-C4'-P energy: -45.803 tors. eta vs tors. theta energy: 27.099 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: 1, replica: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1863.210191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.210191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.210191 (E_RNA) where: Base-Base interactions energy: -1250.762 where: short stacking energy: -553.063 Base-Backbone interact. energy: -2.324 local terms energy: -610.124346 where: bonds (distance) C4'-P energy: -110.841 bonds (distance) P-C4' energy: -108.330 flat angles C4'-P-C4' energy: -129.883 flat angles P-C4'-P energy: -91.582 tors. eta vs tors. theta energy: -169.488 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: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1771.051522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.051522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.051522 (E_RNA) where: Base-Base interactions energy: -1213.577 where: short stacking energy: -510.544 Base-Backbone interact. energy: -1.067 local terms energy: -556.407879 where: bonds (distance) C4'-P energy: -98.919 bonds (distance) P-C4' energy: -104.674 flat angles C4'-P-C4' energy: -125.283 flat angles P-C4'-P energy: -84.545 tors. eta vs tors. theta energy: -142.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1607.503531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.503531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.503531 (E_RNA) where: Base-Base interactions energy: -1112.190 where: short stacking energy: -454.644 Base-Backbone interact. energy: -5.485 local terms energy: -489.829454 where: bonds (distance) C4'-P energy: -98.454 bonds (distance) P-C4' energy: -100.612 flat angles C4'-P-C4' energy: -109.666 flat angles P-C4'-P energy: -56.995 tors. eta vs tors. theta energy: -124.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1484.217547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.217547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.217547 (E_RNA) where: Base-Base interactions energy: -951.034 where: short stacking energy: -409.837 Base-Backbone interact. energy: -0.416 local terms energy: -532.768025 where: bonds (distance) C4'-P energy: -96.248 bonds (distance) P-C4' energy: -120.891 flat angles C4'-P-C4' energy: -118.904 flat angles P-C4'-P energy: -77.617 tors. eta vs tors. theta energy: -119.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1416.039198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.039198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.039198 (E_RNA) where: Base-Base interactions energy: -929.821 where: short stacking energy: -400.602 Base-Backbone interact. energy: -1.756 local terms energy: -484.462535 where: bonds (distance) C4'-P energy: -112.267 bonds (distance) P-C4' energy: -84.717 flat angles C4'-P-C4' energy: -110.544 flat angles P-C4'-P energy: -69.771 tors. eta vs tors. theta energy: -107.162 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: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1286.340067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.340067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.340067 (E_RNA) where: Base-Base interactions energy: -821.615 where: short stacking energy: -380.659 Base-Backbone interact. energy: 0.701 local terms energy: -465.426868 where: bonds (distance) C4'-P energy: -89.703 bonds (distance) P-C4' energy: -119.392 flat angles C4'-P-C4' energy: -94.779 flat angles P-C4'-P energy: -59.329 tors. eta vs tors. theta energy: -102.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -964.050659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.050659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.050659 (E_RNA) where: Base-Base interactions energy: -565.504 where: short stacking energy: -262.588 Base-Backbone interact. energy: -2.492 local terms energy: -396.055291 where: bonds (distance) C4'-P energy: -109.731 bonds (distance) P-C4' energy: -108.223 flat angles C4'-P-C4' energy: -74.718 flat angles P-C4'-P energy: -49.484 tors. eta vs tors. theta energy: -53.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -866.843180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.843180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.843180 (E_RNA) where: Base-Base interactions energy: -465.251 where: short stacking energy: -243.522 Base-Backbone interact. energy: 1.233 local terms energy: -402.824890 where: bonds (distance) C4'-P energy: -95.035 bonds (distance) P-C4' energy: -100.462 flat angles C4'-P-C4' energy: -88.560 flat angles P-C4'-P energy: -77.810 tors. eta vs tors. theta energy: -40.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -538.364669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.364669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.364669 (E_RNA) where: Base-Base interactions energy: -251.309 where: short stacking energy: -173.613 Base-Backbone interact. energy: 3.076 local terms energy: -290.132103 where: bonds (distance) C4'-P energy: -72.578 bonds (distance) P-C4' energy: -97.234 flat angles C4'-P-C4' energy: -84.431 flat angles P-C4'-P energy: -36.163 tors. eta vs tors. theta energy: 0.274 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: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -434.321931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.321931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.321931 (E_RNA) where: Base-Base interactions energy: -164.305 where: short stacking energy: -113.561 Base-Backbone interact. energy: 0.931 local terms energy: -270.947706 where: bonds (distance) C4'-P energy: -77.073 bonds (distance) P-C4' energy: -81.481 flat angles C4'-P-C4' energy: -69.005 flat angles P-C4'-P energy: -66.779 tors. eta vs tors. theta energy: 23.389 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: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1884.809032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.809032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.809032 (E_RNA) where: Base-Base interactions energy: -1270.445 where: short stacking energy: -553.514 Base-Backbone interact. energy: -1.821 local terms energy: -612.543206 where: bonds (distance) C4'-P energy: -114.566 bonds (distance) P-C4' energy: -115.725 flat angles C4'-P-C4' energy: -123.369 flat angles P-C4'-P energy: -93.348 tors. eta vs tors. theta energy: -165.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1786.289014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.289014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.289014 (E_RNA) where: Base-Base interactions energy: -1234.562 where: short stacking energy: -505.238 Base-Backbone interact. energy: -1.285 local terms energy: -550.442442 where: bonds (distance) C4'-P energy: -114.816 bonds (distance) P-C4' energy: -95.800 flat angles C4'-P-C4' energy: -123.151 flat angles P-C4'-P energy: -66.534 tors. eta vs tors. theta energy: -150.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1629.377154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.377154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.377154 (E_RNA) where: Base-Base interactions energy: -1095.509 where: short stacking energy: -459.206 Base-Backbone interact. energy: -1.465 local terms energy: -532.403063 where: bonds (distance) C4'-P energy: -112.372 bonds (distance) P-C4' energy: -114.540 flat angles C4'-P-C4' energy: -104.661 flat angles P-C4'-P energy: -66.476 tors. eta vs tors. theta energy: -134.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1443.311537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.311537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.311537 (E_RNA) where: Base-Base interactions energy: -937.590 where: short stacking energy: -419.229 Base-Backbone interact. energy: -3.697 local terms energy: -502.024967 where: bonds (distance) C4'-P energy: -109.430 bonds (distance) P-C4' energy: -94.784 flat angles C4'-P-C4' energy: -112.974 flat angles P-C4'-P energy: -73.363 tors. eta vs tors. theta energy: -111.473 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: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1415.093988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.093988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.093988 (E_RNA) where: Base-Base interactions energy: -949.016 where: short stacking energy: -407.203 Base-Backbone interact. energy: 2.180 local terms energy: -468.258419 where: bonds (distance) C4'-P energy: -85.479 bonds (distance) P-C4' energy: -102.899 flat angles C4'-P-C4' energy: -112.467 flat angles P-C4'-P energy: -74.450 tors. eta vs tors. theta energy: -92.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1287.301979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.301979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.301979 (E_RNA) where: Base-Base interactions energy: -826.222 where: short stacking energy: -371.257 Base-Backbone interact. energy: 2.449 local terms energy: -463.528390 where: bonds (distance) C4'-P energy: -100.711 bonds (distance) P-C4' energy: -87.166 flat angles C4'-P-C4' energy: -95.542 flat angles P-C4'-P energy: -68.432 tors. eta vs tors. theta energy: -111.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -922.195981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.195981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.195981 (E_RNA) where: Base-Base interactions energy: -533.175 where: short stacking energy: -259.947 Base-Backbone interact. energy: -1.040 local terms energy: -387.980300 where: bonds (distance) C4'-P energy: -81.623 bonds (distance) P-C4' energy: -101.477 flat angles C4'-P-C4' energy: -92.118 flat angles P-C4'-P energy: -63.481 tors. eta vs tors. theta energy: -49.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -827.532775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.532775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.532775 (E_RNA) where: Base-Base interactions energy: -485.880 where: short stacking energy: -236.408 Base-Backbone interact. energy: -0.278 local terms energy: -341.374296 where: bonds (distance) C4'-P energy: -82.562 bonds (distance) P-C4' energy: -95.263 flat angles C4'-P-C4' energy: -94.460 flat angles P-C4'-P energy: -43.891 tors. eta vs tors. theta energy: -25.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -549.456964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.456964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.456964 (E_RNA) where: Base-Base interactions energy: -255.468 where: short stacking energy: -125.992 Base-Backbone interact. energy: 1.138 local terms energy: -295.127160 where: bonds (distance) C4'-P energy: -90.751 bonds (distance) P-C4' energy: -98.236 flat angles C4'-P-C4' energy: -73.241 flat angles P-C4'-P energy: -38.494 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: 10, replica: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -445.601195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.601195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.601195 (E_RNA) where: Base-Base interactions energy: -161.373 where: short stacking energy: -119.991 Base-Backbone interact. energy: -2.250 local terms energy: -281.978541 where: bonds (distance) C4'-P energy: -82.937 bonds (distance) P-C4' energy: -93.513 flat angles C4'-P-C4' energy: -92.468 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: 29.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1879.710196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.710196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.710196 (E_RNA) where: Base-Base interactions energy: -1297.902 where: short stacking energy: -551.770 Base-Backbone interact. energy: -0.836 local terms energy: -580.972311 where: bonds (distance) C4'-P energy: -102.951 bonds (distance) P-C4' energy: -105.150 flat angles C4'-P-C4' energy: -122.202 flat angles P-C4'-P energy: -81.633 tors. eta vs tors. theta energy: -169.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1786.989142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.989142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.989142 (E_RNA) where: Base-Base interactions energy: -1236.586 where: short stacking energy: -498.213 Base-Backbone interact. energy: -2.745 local terms energy: -547.657727 where: bonds (distance) C4'-P energy: -99.015 bonds (distance) P-C4' energy: -120.184 flat angles C4'-P-C4' energy: -117.647 flat angles P-C4'-P energy: -70.166 tors. eta vs tors. theta energy: -140.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1647.952586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.952586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.952586 (E_RNA) where: Base-Base interactions energy: -1127.513 where: short stacking energy: -456.664 Base-Backbone interact. energy: -2.309 local terms energy: -518.130515 where: bonds (distance) C4'-P energy: -112.580 bonds (distance) P-C4' energy: -100.124 flat angles C4'-P-C4' energy: -103.699 flat angles P-C4'-P energy: -72.403 tors. eta vs tors. theta energy: -129.324 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: 5 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1469.001627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.001627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.001627 (E_RNA) where: Base-Base interactions energy: -942.719 where: short stacking energy: -428.257 Base-Backbone interact. energy: -0.713 local terms energy: -525.570344 where: bonds (distance) C4'-P energy: -104.688 bonds (distance) P-C4' energy: -105.029 flat angles C4'-P-C4' energy: -114.931 flat angles P-C4'-P energy: -80.770 tors. eta vs tors. theta energy: -120.152 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: 6 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1407.447040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.447040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.447040 (E_RNA) where: Base-Base interactions energy: -914.391 where: short stacking energy: -392.988 Base-Backbone interact. energy: -2.612 local terms energy: -490.443993 where: bonds (distance) C4'-P energy: -105.310 bonds (distance) P-C4' energy: -106.877 flat angles C4'-P-C4' energy: -118.628 flat angles P-C4'-P energy: -61.054 tors. eta vs tors. theta energy: -98.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1292.980652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.980652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.980652 (E_RNA) where: Base-Base interactions energy: -811.467 where: short stacking energy: -365.560 Base-Backbone interact. energy: -0.975 local terms energy: -480.538504 where: bonds (distance) C4'-P energy: -100.165 bonds (distance) P-C4' energy: -104.139 flat angles C4'-P-C4' energy: -106.504 flat angles P-C4'-P energy: -69.281 tors. eta vs tors. theta energy: -100.449 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: 7, replica: 8 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -984.051558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.051558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.051558 (E_RNA) where: Base-Base interactions energy: -598.504 where: short stacking energy: -272.803 Base-Backbone interact. energy: 0.222 local terms energy: -385.769281 where: bonds (distance) C4'-P energy: -96.634 bonds (distance) P-C4' energy: -94.741 flat angles C4'-P-C4' energy: -82.010 flat angles P-C4'-P energy: -59.089 tors. eta vs tors. theta energy: -53.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -861.091632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.091632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.091632 (E_RNA) where: Base-Base interactions energy: -483.670 where: short stacking energy: -231.220 Base-Backbone interact. energy: 0.575 local terms energy: -377.996478 where: bonds (distance) C4'-P energy: -91.893 bonds (distance) P-C4' energy: -99.491 flat angles C4'-P-C4' energy: -84.148 flat angles P-C4'-P energy: -59.915 tors. eta vs tors. theta energy: -42.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -522.704094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.704094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.704094 (E_RNA) where: Base-Base interactions energy: -241.495 where: short stacking energy: -166.420 Base-Backbone interact. energy: -0.003 local terms energy: -281.206543 where: bonds (distance) C4'-P energy: -100.930 bonds (distance) P-C4' energy: -86.480 flat angles C4'-P-C4' energy: -59.378 flat angles P-C4'-P energy: -43.198 tors. eta vs tors. theta energy: 8.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -428.043781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.043781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.043781 (E_RNA) where: Base-Base interactions energy: -150.592 where: short stacking energy: -125.552 Base-Backbone interact. energy: 0.090 local terms energy: -277.542088 where: bonds (distance) C4'-P energy: -84.740 bonds (distance) P-C4' energy: -85.932 flat angles C4'-P-C4' energy: -86.500 flat angles P-C4'-P energy: -33.258 tors. eta vs tors. theta energy: 12.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1907.062373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.062373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.062373 (E_RNA) where: Base-Base interactions energy: -1295.772 where: short stacking energy: -549.350 Base-Backbone interact. energy: -2.361 local terms energy: -608.929357 where: bonds (distance) C4'-P energy: -102.634 bonds (distance) P-C4' energy: -125.184 flat angles C4'-P-C4' energy: -129.912 flat angles P-C4'-P energy: -75.545 tors. eta vs tors. theta energy: -175.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1770.118870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.118870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.118870 (E_RNA) where: Base-Base interactions energy: -1212.967 where: short stacking energy: -514.053 Base-Backbone interact. energy: -2.729 local terms energy: -554.422535 where: bonds (distance) C4'-P energy: -99.096 bonds (distance) P-C4' energy: -108.229 flat angles C4'-P-C4' energy: -123.880 flat angles P-C4'-P energy: -73.886 tors. eta vs tors. theta energy: -149.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1658.824789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.824789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.824789 (E_RNA) where: Base-Base interactions energy: -1109.652 where: short stacking energy: -472.869 Base-Backbone interact. energy: -1.617 local terms energy: -547.556509 where: bonds (distance) C4'-P energy: -107.897 bonds (distance) P-C4' energy: -106.670 flat angles C4'-P-C4' energy: -121.198 flat angles P-C4'-P energy: -73.683 tors. eta vs tors. theta energy: -138.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1485.111555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.111555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.111555 (E_RNA) where: Base-Base interactions energy: -997.177 where: short stacking energy: -435.356 Base-Backbone interact. energy: -1.382 local terms energy: -486.552471 where: bonds (distance) C4'-P energy: -98.430 bonds (distance) P-C4' energy: -91.958 flat angles C4'-P-C4' energy: -108.586 flat angles P-C4'-P energy: -69.940 tors. eta vs tors. theta energy: -117.638 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: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1436.432601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.432601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.432601 (E_RNA) where: Base-Base interactions energy: -935.813 where: short stacking energy: -417.316 Base-Backbone interact. energy: -4.222 local terms energy: -496.397474 where: bonds (distance) C4'-P energy: -108.722 bonds (distance) P-C4' energy: -100.226 flat angles C4'-P-C4' energy: -99.404 flat angles P-C4'-P energy: -74.182 tors. eta vs tors. theta energy: -113.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1325.445145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.445145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.445145 (E_RNA) where: Base-Base interactions energy: -846.197 where: short stacking energy: -395.357 Base-Backbone interact. energy: -4.875 local terms energy: -474.372542 where: bonds (distance) C4'-P energy: -92.217 bonds (distance) P-C4' energy: -92.136 flat angles C4'-P-C4' energy: -106.504 flat angles P-C4'-P energy: -78.287 tors. eta vs tors. theta energy: -105.229 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: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -971.609133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.609133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.609133 (E_RNA) where: Base-Base interactions energy: -587.276 where: short stacking energy: -246.650 Base-Backbone interact. energy: -4.289 local terms energy: -380.043543 where: bonds (distance) C4'-P energy: -87.901 bonds (distance) P-C4' energy: -111.873 flat angles C4'-P-C4' energy: -84.308 flat angles P-C4'-P energy: -55.272 tors. eta vs tors. theta energy: -40.689 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: 258 Temperature: 1.250000 Total energy: -819.101379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.101379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.101379 (E_RNA) where: Base-Base interactions energy: -447.670 where: short stacking energy: -220.077 Base-Backbone interact. energy: -2.312 local terms energy: -369.118477 where: bonds (distance) C4'-P energy: -96.684 bonds (distance) P-C4' energy: -89.413 flat angles C4'-P-C4' energy: -83.908 flat angles P-C4'-P energy: -65.302 tors. eta vs tors. theta energy: -33.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -497.389530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.389530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.389530 (E_RNA) where: Base-Base interactions energy: -208.687 where: short stacking energy: -120.548 Base-Backbone interact. energy: -0.657 local terms energy: -288.044864 where: bonds (distance) C4'-P energy: -91.770 bonds (distance) P-C4' energy: -103.625 flat angles C4'-P-C4' energy: -72.071 flat angles P-C4'-P energy: -37.614 tors. eta vs tors. theta energy: 17.035 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: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -447.050626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.050626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.050626 (E_RNA) where: Base-Base interactions energy: -160.900 where: short stacking energy: -106.166 Base-Backbone interact. energy: -1.566 local terms energy: -284.584942 where: bonds (distance) C4'-P energy: -91.733 bonds (distance) P-C4' energy: -81.591 flat angles C4'-P-C4' energy: -73.135 flat angles P-C4'-P energy: -51.832 tors. eta vs tors. theta energy: 13.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1901.440591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.440591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.440591 (E_RNA) where: Base-Base interactions energy: -1289.984 where: short stacking energy: -569.252 Base-Backbone interact. energy: -2.547 local terms energy: -608.909585 where: bonds (distance) C4'-P energy: -111.316 bonds (distance) P-C4' energy: -118.901 flat angles C4'-P-C4' energy: -125.009 flat angles P-C4'-P energy: -81.927 tors. eta vs tors. theta energy: -171.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1757.415236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.415236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.415236 (E_RNA) where: Base-Base interactions energy: -1207.599 where: short stacking energy: -475.115 Base-Backbone interact. energy: -1.683 local terms energy: -548.133827 where: bonds (distance) C4'-P energy: -90.700 bonds (distance) P-C4' energy: -122.215 flat angles C4'-P-C4' energy: -115.685 flat angles P-C4'-P energy: -72.908 tors. eta vs tors. theta energy: -146.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1665.150777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.150777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.150777 (E_RNA) where: Base-Base interactions energy: -1112.751 where: short stacking energy: -485.599 Base-Backbone interact. energy: -1.832 local terms energy: -550.567845 where: bonds (distance) C4'-P energy: -110.303 bonds (distance) P-C4' energy: -115.641 flat angles C4'-P-C4' energy: -107.211 flat angles P-C4'-P energy: -75.900 tors. eta vs tors. theta energy: -141.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1517.961616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.961616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.961616 (E_RNA) where: Base-Base interactions energy: -1009.397 where: short stacking energy: -437.694 Base-Backbone interact. energy: -1.206 local terms energy: -507.358708 where: bonds (distance) C4'-P energy: -105.542 bonds (distance) P-C4' energy: -100.793 flat angles C4'-P-C4' energy: -110.945 flat angles P-C4'-P energy: -78.209 tors. eta vs tors. theta energy: -111.871 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: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1408.215826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.215826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.215826 (E_RNA) where: Base-Base interactions energy: -916.228 where: short stacking energy: -423.124 Base-Backbone interact. energy: -1.503 local terms energy: -490.484820 where: bonds (distance) C4'-P energy: -100.306 bonds (distance) P-C4' energy: -105.106 flat angles C4'-P-C4' energy: -104.565 flat angles P-C4'-P energy: -63.246 tors. eta vs tors. theta energy: -117.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1313.509698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.509698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.509698 (E_RNA) where: Base-Base interactions energy: -864.910 where: short stacking energy: -381.795 Base-Backbone interact. energy: -1.003 local terms energy: -447.596625 where: bonds (distance) C4'-P energy: -103.885 bonds (distance) P-C4' energy: -82.736 flat angles C4'-P-C4' energy: -107.127 flat angles P-C4'-P energy: -58.950 tors. eta vs tors. theta energy: -94.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -973.387269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.387269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.387269 (E_RNA) where: Base-Base interactions energy: -574.261 where: short stacking energy: -252.347 Base-Backbone interact. energy: -4.599 local terms energy: -394.527690 where: bonds (distance) C4'-P energy: -91.187 bonds (distance) P-C4' energy: -103.439 flat angles C4'-P-C4' energy: -99.333 flat angles P-C4'-P energy: -57.737 tors. eta vs tors. theta energy: -42.832 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: 259 Temperature: 1.250000 Total energy: -794.420748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.420748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.420748 (E_RNA) where: Base-Base interactions energy: -450.248 where: short stacking energy: -238.878 Base-Backbone interact. energy: -1.773 local terms energy: -342.399467 where: bonds (distance) C4'-P energy: -99.946 bonds (distance) P-C4' energy: -83.211 flat angles C4'-P-C4' energy: -92.366 flat angles P-C4'-P energy: -35.956 tors. eta vs tors. theta energy: -30.921 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: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -462.892207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.892207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.892207 (E_RNA) where: Base-Base interactions energy: -146.309 where: short stacking energy: -107.671 Base-Backbone interact. energy: -1.971 local terms energy: -314.612760 where: bonds (distance) C4'-P energy: -96.011 bonds (distance) P-C4' energy: -109.208 flat angles C4'-P-C4' energy: -66.036 flat angles P-C4'-P energy: -47.784 tors. eta vs tors. theta energy: 4.427 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: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -448.671375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.671375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.671375 (E_RNA) where: Base-Base interactions energy: -167.877 where: short stacking energy: -84.282 Base-Backbone interact. energy: -0.636 local terms energy: -280.158656 where: bonds (distance) C4'-P energy: -101.131 bonds (distance) P-C4' energy: -95.573 flat angles C4'-P-C4' energy: -57.415 flat angles P-C4'-P energy: -51.890 tors. eta vs tors. theta energy: 25.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1863.926568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.926568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.926568 (E_RNA) where: Base-Base interactions energy: -1273.441 where: short stacking energy: -545.737 Base-Backbone interact. energy: -2.818 local terms energy: -587.667594 where: bonds (distance) C4'-P energy: -104.974 bonds (distance) P-C4' energy: -113.689 flat angles C4'-P-C4' energy: -112.839 flat angles P-C4'-P energy: -85.839 tors. eta vs tors. theta energy: -170.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1773.406404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.406404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.406404 (E_RNA) where: Base-Base interactions energy: -1233.979 where: short stacking energy: -515.079 Base-Backbone interact. energy: 0.718 local terms energy: -540.145031 where: bonds (distance) C4'-P energy: -99.625 bonds (distance) P-C4' energy: -105.872 flat angles C4'-P-C4' energy: -121.300 flat angles P-C4'-P energy: -72.336 tors. eta vs tors. theta energy: -141.012 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: 2 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1682.497997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.497997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.497997 (E_RNA) where: Base-Base interactions energy: -1129.754 where: short stacking energy: -477.133 Base-Backbone interact. energy: -1.012 local terms energy: -551.732091 where: bonds (distance) C4'-P energy: -106.483 bonds (distance) P-C4' energy: -102.393 flat angles C4'-P-C4' energy: -123.359 flat angles P-C4'-P energy: -87.967 tors. eta vs tors. theta energy: -131.529 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: 6 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1543.853405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.853405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.853405 (E_RNA) where: Base-Base interactions energy: -1031.663 where: short stacking energy: -444.134 Base-Backbone interact. energy: -0.444 local terms energy: -511.746569 where: bonds (distance) C4'-P energy: -106.863 bonds (distance) P-C4' energy: -104.583 flat angles C4'-P-C4' energy: -103.717 flat angles P-C4'-P energy: -79.169 tors. eta vs tors. theta energy: -117.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1415.568872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.568872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.568872 (E_RNA) where: Base-Base interactions energy: -924.500 where: short stacking energy: -398.567 Base-Backbone interact. energy: -1.375 local terms energy: -489.694123 where: bonds (distance) C4'-P energy: -99.679 bonds (distance) P-C4' energy: -93.602 flat angles C4'-P-C4' energy: -102.611 flat angles P-C4'-P energy: -70.205 tors. eta vs tors. theta energy: -123.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1317.682240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.682240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.682240 (E_RNA) where: Base-Base interactions energy: -861.266 where: short stacking energy: -389.706 Base-Backbone interact. energy: 0.256 local terms energy: -456.672071 where: bonds (distance) C4'-P energy: -98.724 bonds (distance) P-C4' energy: -85.652 flat angles C4'-P-C4' energy: -99.073 flat angles P-C4'-P energy: -60.752 tors. eta vs tors. theta energy: -112.471 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: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1006.573781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.573781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.573781 (E_RNA) where: Base-Base interactions energy: -617.085 where: short stacking energy: -299.769 Base-Backbone interact. energy: -0.713 local terms energy: -388.775054 where: bonds (distance) C4'-P energy: -98.762 bonds (distance) P-C4' energy: -80.887 flat angles C4'-P-C4' energy: -92.929 flat angles P-C4'-P energy: -55.134 tors. eta vs tors. theta energy: -61.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -790.474293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.474293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.474293 (E_RNA) where: Base-Base interactions energy: -454.765 where: short stacking energy: -252.514 Base-Backbone interact. energy: 1.225 local terms energy: -336.934192 where: bonds (distance) C4'-P energy: -89.786 bonds (distance) P-C4' energy: -95.521 flat angles C4'-P-C4' energy: -69.704 flat angles P-C4'-P energy: -54.099 tors. eta vs tors. theta energy: -27.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -462.137696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.137696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.137696 (E_RNA) where: Base-Base interactions energy: -137.213 where: short stacking energy: -125.833 Base-Backbone interact. energy: -2.852 local terms energy: -322.072708 where: bonds (distance) C4'-P energy: -111.097 bonds (distance) P-C4' energy: -99.941 flat angles C4'-P-C4' energy: -79.387 flat angles P-C4'-P energy: -36.570 tors. eta vs tors. theta energy: 4.922 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: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -407.116389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.116389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.116389 (E_RNA) where: Base-Base interactions energy: -123.788 where: short stacking energy: -107.030 Base-Backbone interact. energy: 3.348 local terms energy: -286.675642 where: bonds (distance) C4'-P energy: -97.652 bonds (distance) P-C4' energy: -92.320 flat angles C4'-P-C4' energy: -62.516 flat angles P-C4'-P energy: -47.930 tors. eta vs tors. theta energy: 13.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1889.140361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.140361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.140361 (E_RNA) where: Base-Base interactions energy: -1279.670 where: short stacking energy: -566.220 Base-Backbone interact. energy: -1.852 local terms energy: -607.618297 where: bonds (distance) C4'-P energy: -118.130 bonds (distance) P-C4' energy: -109.640 flat angles C4'-P-C4' energy: -131.101 flat angles P-C4'-P energy: -77.057 tors. eta vs tors. theta energy: -171.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1762.037498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.037498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.037498 (E_RNA) where: Base-Base interactions energy: -1226.828 where: short stacking energy: -486.549 Base-Backbone interact. energy: -1.413 local terms energy: -533.796392 where: bonds (distance) C4'-P energy: -108.398 bonds (distance) P-C4' energy: -105.706 flat angles C4'-P-C4' energy: -117.482 flat angles P-C4'-P energy: -63.565 tors. eta vs tors. theta energy: -138.645 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: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1715.205336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.205336 (E_RNA) where: Base-Base interactions energy: -1143.994 where: short stacking energy: -507.783 Base-Backbone interact. energy: -3.021 local terms energy: -568.189867 where: bonds (distance) C4'-P energy: -113.911 bonds (distance) P-C4' energy: -101.013 flat angles C4'-P-C4' energy: -117.579 flat angles P-C4'-P energy: -80.842 tors. eta vs tors. theta energy: -154.846 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: 261 Temperature: 1.050000 Total energy: -1541.939304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.939304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.939304 (E_RNA) where: Base-Base interactions energy: -1013.371 where: short stacking energy: -453.338 Base-Backbone interact. energy: 2.350 local terms energy: -530.917427 where: bonds (distance) C4'-P energy: -100.382 bonds (distance) P-C4' energy: -105.731 flat angles C4'-P-C4' energy: -116.745 flat angles P-C4'-P energy: -81.517 tors. eta vs tors. theta energy: -126.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1397.349518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.349518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.349518 (E_RNA) where: Base-Base interactions energy: -906.238 where: short stacking energy: -409.964 Base-Backbone interact. energy: 1.213 local terms energy: -492.323770 where: bonds (distance) C4'-P energy: -91.214 bonds (distance) P-C4' energy: -95.339 flat angles C4'-P-C4' energy: -119.023 flat angles P-C4'-P energy: -59.322 tors. eta vs tors. theta energy: -127.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1333.910373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.910373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.910373 (E_RNA) where: Base-Base interactions energy: -881.276 where: short stacking energy: -404.855 Base-Backbone interact. energy: -2.993 local terms energy: -449.641188 where: bonds (distance) C4'-P energy: -89.638 bonds (distance) P-C4' energy: -87.275 flat angles C4'-P-C4' energy: -105.949 flat angles P-C4'-P energy: -55.729 tors. eta vs tors. theta energy: -111.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1030.953134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.953134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.953134 (E_RNA) where: Base-Base interactions energy: -598.186 where: short stacking energy: -267.898 Base-Backbone interact. energy: 2.571 local terms energy: -435.338280 where: bonds (distance) C4'-P energy: -98.344 bonds (distance) P-C4' energy: -102.424 flat angles C4'-P-C4' energy: -110.205 flat angles P-C4'-P energy: -65.607 tors. eta vs tors. theta energy: -58.758 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: 10 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -760.592968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.592968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.592968 (E_RNA) where: Base-Base interactions energy: -424.499 where: short stacking energy: -203.514 Base-Backbone interact. energy: 0.527 local terms energy: -336.621357 where: bonds (distance) C4'-P energy: -80.496 bonds (distance) P-C4' energy: -100.132 flat angles C4'-P-C4' energy: -94.550 flat angles P-C4'-P energy: -42.159 tors. eta vs tors. theta energy: -19.286 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: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -460.564811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.564811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.564811 (E_RNA) where: Base-Base interactions energy: -161.986 where: short stacking energy: -135.825 Base-Backbone interact. energy: -1.658 local terms energy: -296.920849 where: bonds (distance) C4'-P energy: -90.098 bonds (distance) P-C4' energy: -90.609 flat angles C4'-P-C4' energy: -74.164 flat angles P-C4'-P energy: -44.083 tors. eta vs tors. theta energy: 2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -420.964486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.964486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.964486 (E_RNA) where: Base-Base interactions energy: -143.462 where: short stacking energy: -115.251 Base-Backbone interact. energy: -2.496 local terms energy: -275.006943 where: bonds (distance) C4'-P energy: -73.418 bonds (distance) P-C4' energy: -99.099 flat angles C4'-P-C4' energy: -80.400 flat angles P-C4'-P energy: -36.808 tors. eta vs tors. theta energy: 14.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1894.661381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.661381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.661381 (E_RNA) where: Base-Base interactions energy: -1298.578 where: short stacking energy: -549.812 Base-Backbone interact. energy: -3.340 local terms energy: -592.743968 where: bonds (distance) C4'-P energy: -107.367 bonds (distance) P-C4' energy: -109.212 flat angles C4'-P-C4' energy: -128.843 flat angles P-C4'-P energy: -79.905 tors. eta vs tors. theta energy: -167.417 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: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1777.152507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.152507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.152507 (E_RNA) where: Base-Base interactions energy: -1228.157 where: short stacking energy: -503.236 Base-Backbone interact. energy: -2.034 local terms energy: -546.961186 where: bonds (distance) C4'-P energy: -109.398 bonds (distance) P-C4' energy: -103.571 flat angles C4'-P-C4' energy: -116.523 flat angles P-C4'-P energy: -73.048 tors. eta vs tors. theta energy: -144.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1681.420321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.420321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.420321 (E_RNA) where: Base-Base interactions energy: -1123.033 where: short stacking energy: -470.153 Base-Backbone interact. energy: -2.610 local terms energy: -555.776908 where: bonds (distance) C4'-P energy: -97.061 bonds (distance) P-C4' energy: -115.940 flat angles C4'-P-C4' energy: -116.007 flat angles P-C4'-P energy: -87.289 tors. eta vs tors. theta energy: -139.480 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: 262 Temperature: 1.050000 Total energy: -1534.417880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.417880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.417880 (E_RNA) where: Base-Base interactions energy: -1037.382 where: short stacking energy: -440.558 Base-Backbone interact. energy: -3.189 local terms energy: -493.846658 where: bonds (distance) C4'-P energy: -95.672 bonds (distance) P-C4' energy: -90.821 flat angles C4'-P-C4' energy: -115.525 flat angles P-C4'-P energy: -77.999 tors. eta vs tors. theta energy: -113.829 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: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1359.819594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.819594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.819594 (E_RNA) where: Base-Base interactions energy: -894.381 where: short stacking energy: -384.065 Base-Backbone interact. energy: -1.594 local terms energy: -463.843994 where: bonds (distance) C4'-P energy: -100.714 bonds (distance) P-C4' energy: -102.245 flat angles C4'-P-C4' energy: -103.455 flat angles P-C4'-P energy: -56.158 tors. eta vs tors. theta energy: -101.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1342.219991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.219991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.219991 (E_RNA) where: Base-Base interactions energy: -874.544 where: short stacking energy: -389.570 Base-Backbone interact. energy: -1.076 local terms energy: -466.600042 where: bonds (distance) C4'-P energy: -83.474 bonds (distance) P-C4' energy: -110.361 flat angles C4'-P-C4' energy: -98.116 flat angles P-C4'-P energy: -73.114 tors. eta vs tors. theta energy: -101.535 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: 7, replica: 8 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -960.128307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.128307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.128307 (E_RNA) where: Base-Base interactions energy: -561.536 where: short stacking energy: -247.697 Base-Backbone interact. energy: 3.722 local terms energy: -402.314028 where: bonds (distance) C4'-P energy: -92.407 bonds (distance) P-C4' energy: -103.063 flat angles C4'-P-C4' energy: -98.171 flat angles P-C4'-P energy: -63.036 tors. eta vs tors. theta energy: -45.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -742.866047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.866047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.866047 (E_RNA) where: Base-Base interactions energy: -404.791 where: short stacking energy: -218.283 Base-Backbone interact. energy: 5.408 local terms energy: -343.483141 where: bonds (distance) C4'-P energy: -92.761 bonds (distance) P-C4' energy: -91.699 flat angles C4'-P-C4' energy: -103.864 flat angles P-C4'-P energy: -38.729 tors. eta vs tors. theta energy: -16.430 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: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -453.821699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.821699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.821699 (E_RNA) where: Base-Base interactions energy: -156.774 where: short stacking energy: -111.568 Base-Backbone interact. energy: 3.448 local terms energy: -300.495557 where: bonds (distance) C4'-P energy: -86.676 bonds (distance) P-C4' energy: -104.451 flat angles C4'-P-C4' energy: -86.470 flat angles P-C4'-P energy: -38.651 tors. eta vs tors. theta energy: 15.752 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: 262 Temperature: 1.350000 Total energy: -411.943024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.943024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.943024 (E_RNA) where: Base-Base interactions energy: -129.740 where: short stacking energy: -95.747 Base-Backbone interact. energy: -0.967 local terms energy: -281.235981 where: bonds (distance) C4'-P energy: -96.730 bonds (distance) P-C4' energy: -93.421 flat angles C4'-P-C4' energy: -84.459 flat angles P-C4'-P energy: -37.048 tors. eta vs tors. theta energy: 30.421 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: 263 Temperature: 0.900000 Total energy: -1841.951461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.951461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.951461 (E_RNA) where: Base-Base interactions energy: -1243.411 where: short stacking energy: -522.444 Base-Backbone interact. energy: -2.098 local terms energy: -596.442460 where: bonds (distance) C4'-P energy: -122.519 bonds (distance) P-C4' energy: -107.800 flat angles C4'-P-C4' energy: -119.767 flat angles P-C4'-P energy: -83.801 tors. eta vs tors. theta energy: -162.555 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: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1771.888809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.888809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.888809 (E_RNA) where: Base-Base interactions energy: -1212.629 where: short stacking energy: -487.059 Base-Backbone interact. energy: 1.926 local terms energy: -561.185113 where: bonds (distance) C4'-P energy: -106.262 bonds (distance) P-C4' energy: -111.731 flat angles C4'-P-C4' energy: -120.170 flat angles P-C4'-P energy: -77.459 tors. eta vs tors. theta energy: -145.563 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: 263 Temperature: 1.000000 Total energy: -1699.008575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.008575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.008575 (E_RNA) where: Base-Base interactions energy: -1157.649 where: short stacking energy: -490.157 Base-Backbone interact. energy: -2.816 local terms energy: -538.543895 where: bonds (distance) C4'-P energy: -94.777 bonds (distance) P-C4' energy: -118.725 flat angles C4'-P-C4' energy: -122.768 flat angles P-C4'-P energy: -65.504 tors. eta vs tors. theta energy: -136.771 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: 4, replica: 6 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1570.108766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.108766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.108766 (E_RNA) where: Base-Base interactions energy: -1054.951 where: short stacking energy: -468.590 Base-Backbone interact. energy: 1.398 local terms energy: -516.555915 where: bonds (distance) C4'-P energy: -100.860 bonds (distance) P-C4' energy: -109.254 flat angles C4'-P-C4' energy: -117.107 flat angles P-C4'-P energy: -61.682 tors. eta vs tors. theta energy: -127.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1322.334204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.334204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.334204 (E_RNA) where: Base-Base interactions energy: -834.729 where: short stacking energy: -385.669 Base-Backbone interact. energy: -2.113 local terms energy: -485.491987 where: bonds (distance) C4'-P energy: -107.815 bonds (distance) P-C4' energy: -107.752 flat angles C4'-P-C4' energy: -115.603 flat angles P-C4'-P energy: -48.088 tors. eta vs tors. theta energy: -106.234 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: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1322.266832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.266832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.266832 (E_RNA) where: Base-Base interactions energy: -856.376 where: short stacking energy: -364.437 Base-Backbone interact. energy: -0.279 local terms energy: -465.611466 where: bonds (distance) C4'-P energy: -97.716 bonds (distance) P-C4' energy: -101.557 flat angles C4'-P-C4' energy: -96.687 flat angles P-C4'-P energy: -70.555 tors. eta vs tors. theta energy: -99.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -959.734681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.734681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.734681 (E_RNA) where: Base-Base interactions energy: -564.157 where: short stacking energy: -273.048 Base-Backbone interact. energy: -1.345 local terms energy: -394.231839 where: bonds (distance) C4'-P energy: -89.446 bonds (distance) P-C4' energy: -91.585 flat angles C4'-P-C4' energy: -94.298 flat angles P-C4'-P energy: -75.538 tors. eta vs tors. theta energy: -43.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -728.550093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.550093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.550093 (E_RNA) where: Base-Base interactions energy: -376.989 where: short stacking energy: -202.859 Base-Backbone interact. energy: -3.810 local terms energy: -347.751190 where: bonds (distance) C4'-P energy: -80.031 bonds (distance) P-C4' energy: -117.550 flat angles C4'-P-C4' energy: -77.641 flat angles P-C4'-P energy: -59.144 tors. eta vs tors. theta energy: -13.386 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: 4 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -440.355764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.355764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.355764 (E_RNA) where: Base-Base interactions energy: -156.305 where: short stacking energy: -119.790 Base-Backbone interact. energy: 3.003 local terms energy: -287.052882 where: bonds (distance) C4'-P energy: -74.463 bonds (distance) P-C4' energy: -94.741 flat angles C4'-P-C4' energy: -77.141 flat angles P-C4'-P energy: -53.222 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: 10, replica: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -425.970983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.970983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.970983 (E_RNA) where: Base-Base interactions energy: -129.783 where: short stacking energy: -87.569 Base-Backbone interact. energy: -2.181 local terms energy: -294.007126 where: bonds (distance) C4'-P energy: -103.690 bonds (distance) P-C4' energy: -112.633 flat angles C4'-P-C4' energy: -78.093 flat angles P-C4'-P energy: -32.867 tors. eta vs tors. theta energy: 33.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1849.298339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.298339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.298339 (E_RNA) where: Base-Base interactions energy: -1264.944 where: short stacking energy: -537.320 Base-Backbone interact. energy: -3.019 local terms energy: -581.335305 where: bonds (distance) C4'-P energy: -104.845 bonds (distance) P-C4' energy: -106.273 flat angles C4'-P-C4' energy: -129.716 flat angles P-C4'-P energy: -77.506 tors. eta vs tors. theta energy: -162.996 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: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1744.501791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.501791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.501791 (E_RNA) where: Base-Base interactions energy: -1195.753 where: short stacking energy: -501.629 Base-Backbone interact. energy: 2.075 local terms energy: -550.823857 where: bonds (distance) C4'-P energy: -102.432 bonds (distance) P-C4' energy: -114.632 flat angles C4'-P-C4' energy: -117.881 flat angles P-C4'-P energy: -75.050 tors. eta vs tors. theta energy: -140.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1702.421445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.421445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.421445 (E_RNA) where: Base-Base interactions energy: -1140.675 where: short stacking energy: -508.043 Base-Backbone interact. energy: -3.170 local terms energy: -558.576418 where: bonds (distance) C4'-P energy: -97.545 bonds (distance) P-C4' energy: -112.414 flat angles C4'-P-C4' energy: -116.339 flat angles P-C4'-P energy: -93.814 tors. eta vs tors. theta energy: -138.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1567.418784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.418784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.418784 (E_RNA) where: Base-Base interactions energy: -1036.533 where: short stacking energy: -449.606 Base-Backbone interact. energy: 1.704 local terms energy: -532.590361 where: bonds (distance) C4'-P energy: -103.071 bonds (distance) P-C4' energy: -108.476 flat angles C4'-P-C4' energy: -112.215 flat angles P-C4'-P energy: -85.422 tors. eta vs tors. theta energy: -123.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1339.404058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.404058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.404058 (E_RNA) where: Base-Base interactions energy: -854.796 where: short stacking energy: -397.543 Base-Backbone interact. energy: -2.016 local terms energy: -482.591590 where: bonds (distance) C4'-P energy: -102.198 bonds (distance) P-C4' energy: -88.584 flat angles C4'-P-C4' energy: -98.713 flat angles P-C4'-P energy: -82.070 tors. eta vs tors. theta energy: -111.027 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: 264 Temperature: 1.150000 Total energy: -1304.050850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.050850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.050850 (E_RNA) where: Base-Base interactions energy: -847.387 where: short stacking energy: -388.936 Base-Backbone interact. energy: -0.392 local terms energy: -456.270955 where: bonds (distance) C4'-P energy: -91.356 bonds (distance) P-C4' energy: -100.903 flat angles C4'-P-C4' energy: -105.136 flat angles P-C4'-P energy: -47.331 tors. eta vs tors. theta energy: -111.545 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: 7, replica: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -930.154811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.154811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.154811 (E_RNA) where: Base-Base interactions energy: -544.356 where: short stacking energy: -266.981 Base-Backbone interact. energy: 2.211 local terms energy: -388.010692 where: bonds (distance) C4'-P energy: -81.287 bonds (distance) P-C4' energy: -96.019 flat angles C4'-P-C4' energy: -93.506 flat angles P-C4'-P energy: -60.054 tors. eta vs tors. theta energy: -57.146 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: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -718.100676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.100676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.100676 (E_RNA) where: Base-Base interactions energy: -417.099 where: short stacking energy: -206.870 Base-Backbone interact. energy: 4.464 local terms energy: -305.465645 where: bonds (distance) C4'-P energy: -84.783 bonds (distance) P-C4' energy: -91.528 flat angles C4'-P-C4' energy: -79.361 flat angles P-C4'-P energy: -32.354 tors. eta vs tors. theta energy: -17.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -449.050582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.050582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.050582 (E_RNA) where: Base-Base interactions energy: -157.235 where: short stacking energy: -113.281 Base-Backbone interact. energy: 2.854 local terms energy: -294.669415 where: bonds (distance) C4'-P energy: -90.517 bonds (distance) P-C4' energy: -108.895 flat angles C4'-P-C4' energy: -80.235 flat angles P-C4'-P energy: -38.251 tors. eta vs tors. theta energy: 23.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -416.141958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.141958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.141958 (E_RNA) where: Base-Base interactions energy: -133.420 where: short stacking energy: -127.628 Base-Backbone interact. energy: -1.029 local terms energy: -281.692970 where: bonds (distance) C4'-P energy: -74.347 bonds (distance) P-C4' energy: -97.502 flat angles C4'-P-C4' energy: -79.895 flat angles P-C4'-P energy: -50.150 tors. eta vs tors. theta energy: 20.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1864.760362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.760362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.760362 (E_RNA) where: Base-Base interactions energy: -1278.081 where: short stacking energy: -539.941 Base-Backbone interact. energy: -2.918 local terms energy: -583.760700 where: bonds (distance) C4'-P energy: -101.334 bonds (distance) P-C4' energy: -117.073 flat angles C4'-P-C4' energy: -121.622 flat angles P-C4'-P energy: -75.437 tors. eta vs tors. theta energy: -168.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1754.828619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.828619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.828619 (E_RNA) where: Base-Base interactions energy: -1189.659 where: short stacking energy: -495.131 Base-Backbone interact. energy: -1.400 local terms energy: -563.769203 where: bonds (distance) C4'-P energy: -111.130 bonds (distance) P-C4' energy: -109.709 flat angles C4'-P-C4' energy: -119.929 flat angles P-C4'-P energy: -88.356 tors. eta vs tors. theta energy: -134.645 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: 2 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1653.497661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.497661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.497661 (E_RNA) where: Base-Base interactions energy: -1103.805 where: short stacking energy: -496.491 Base-Backbone interact. energy: -2.142 local terms energy: -547.550231 where: bonds (distance) C4'-P energy: -103.864 bonds (distance) P-C4' energy: -110.388 flat angles C4'-P-C4' energy: -111.167 flat angles P-C4'-P energy: -74.564 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: 4, replica: 6 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1571.911441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.911441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.911441 (E_RNA) where: Base-Base interactions energy: -1075.386 where: short stacking energy: -449.425 Base-Backbone interact. energy: -1.389 local terms energy: -495.136753 where: bonds (distance) C4'-P energy: -104.879 bonds (distance) P-C4' energy: -91.712 flat angles C4'-P-C4' energy: -107.330 flat angles P-C4'-P energy: -73.844 tors. eta vs tors. theta energy: -117.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1363.121042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.121042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.121042 (E_RNA) where: Base-Base interactions energy: -882.560 where: short stacking energy: -404.620 Base-Backbone interact. energy: -1.753 local terms energy: -478.807969 where: bonds (distance) C4'-P energy: -93.667 bonds (distance) P-C4' energy: -104.705 flat angles C4'-P-C4' energy: -99.277 flat angles P-C4'-P energy: -66.120 tors. eta vs tors. theta energy: -115.039 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: 5 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1346.176291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.176291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.176291 (E_RNA) where: Base-Base interactions energy: -863.546 where: short stacking energy: -382.751 Base-Backbone interact. energy: -1.140 local terms energy: -481.489485 where: bonds (distance) C4'-P energy: -110.526 bonds (distance) P-C4' energy: -107.215 flat angles C4'-P-C4' energy: -102.142 flat angles P-C4'-P energy: -59.836 tors. eta vs tors. theta energy: -101.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -981.356038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.356038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.356038 (E_RNA) where: Base-Base interactions energy: -572.304 where: short stacking energy: -285.305 Base-Backbone interact. energy: -1.350 local terms energy: -407.701788 where: bonds (distance) C4'-P energy: -86.011 bonds (distance) P-C4' energy: -101.709 flat angles C4'-P-C4' energy: -108.388 flat angles P-C4'-P energy: -53.781 tors. eta vs tors. theta energy: -57.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -732.676336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.676336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.676336 (E_RNA) where: Base-Base interactions energy: -385.672 where: short stacking energy: -201.176 Base-Backbone interact. energy: 1.922 local terms energy: -348.925718 where: bonds (distance) C4'-P energy: -85.470 bonds (distance) P-C4' energy: -94.587 flat angles C4'-P-C4' energy: -97.418 flat angles P-C4'-P energy: -54.087 tors. eta vs tors. theta energy: -17.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -517.007641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.007641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.007641 (E_RNA) where: Base-Base interactions energy: -192.335 where: short stacking energy: -139.481 Base-Backbone interact. energy: -0.691 local terms energy: -323.981318 where: bonds (distance) C4'-P energy: -87.246 bonds (distance) P-C4' energy: -93.448 flat angles C4'-P-C4' energy: -93.223 flat angles P-C4'-P energy: -48.824 tors. eta vs tors. theta energy: -1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -412.390791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.390791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.390791 (E_RNA) where: Base-Base interactions energy: -132.953 where: short stacking energy: -114.382 Base-Backbone interact. energy: -1.569 local terms energy: -277.867937 where: bonds (distance) C4'-P energy: -67.607 bonds (distance) P-C4' energy: -103.905 flat angles C4'-P-C4' energy: -71.979 flat angles P-C4'-P energy: -54.494 tors. eta vs tors. theta energy: 20.118 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: 1, replica: 7 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1870.951793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.951793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.951793 (E_RNA) where: Base-Base interactions energy: -1291.029 where: short stacking energy: -548.169 Base-Backbone interact. energy: -4.237 local terms energy: -575.685804 where: bonds (distance) C4'-P energy: -93.362 bonds (distance) P-C4' energy: -107.224 flat angles C4'-P-C4' energy: -123.692 flat angles P-C4'-P energy: -79.456 tors. eta vs tors. theta energy: -171.953 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: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1753.245107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.245107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.245107 (E_RNA) where: Base-Base interactions energy: -1206.059 where: short stacking energy: -525.493 Base-Backbone interact. energy: -2.291 local terms energy: -544.894819 where: bonds (distance) C4'-P energy: -98.337 bonds (distance) P-C4' energy: -104.754 flat angles C4'-P-C4' energy: -111.576 flat angles P-C4'-P energy: -80.203 tors. eta vs tors. theta energy: -150.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1646.485211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.485211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.485211 (E_RNA) where: Base-Base interactions energy: -1117.883 where: short stacking energy: -475.561 Base-Backbone interact. energy: -0.422 local terms energy: -528.180656 where: bonds (distance) C4'-P energy: -103.712 bonds (distance) P-C4' energy: -99.635 flat angles C4'-P-C4' energy: -111.239 flat angles P-C4'-P energy: -73.455 tors. eta vs tors. theta energy: -140.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1582.003281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.003281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.003281 (E_RNA) where: Base-Base interactions energy: -1077.812 where: short stacking energy: -457.168 Base-Backbone interact. energy: -1.563 local terms energy: -502.628543 where: bonds (distance) C4'-P energy: -96.215 bonds (distance) P-C4' energy: -104.789 flat angles C4'-P-C4' energy: -111.855 flat angles P-C4'-P energy: -62.752 tors. eta vs tors. theta energy: -127.018 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: 5, replica: 1 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1388.373598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.373598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.373598 (E_RNA) where: Base-Base interactions energy: -917.959 where: short stacking energy: -415.935 Base-Backbone interact. energy: -1.039 local terms energy: -469.375417 where: bonds (distance) C4'-P energy: -97.501 bonds (distance) P-C4' energy: -96.364 flat angles C4'-P-C4' energy: -111.687 flat angles P-C4'-P energy: -60.799 tors. eta vs tors. theta energy: -103.024 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: 266 Temperature: 1.150000 Total energy: -1307.938645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.938645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.938645 (E_RNA) where: Base-Base interactions energy: -838.680 where: short stacking energy: -357.394 Base-Backbone interact. energy: -1.429 local terms energy: -467.829692 where: bonds (distance) C4'-P energy: -98.353 bonds (distance) P-C4' energy: -100.670 flat angles C4'-P-C4' energy: -108.737 flat angles P-C4'-P energy: -55.575 tors. eta vs tors. theta energy: -104.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -974.946474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.946474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.946474 (E_RNA) where: Base-Base interactions energy: -591.689 where: short stacking energy: -271.146 Base-Backbone interact. energy: -1.395 local terms energy: -381.863182 where: bonds (distance) C4'-P energy: -90.750 bonds (distance) P-C4' energy: -95.698 flat angles C4'-P-C4' energy: -92.570 flat angles P-C4'-P energy: -52.828 tors. eta vs tors. theta energy: -50.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -692.202204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.202204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.202204 (E_RNA) where: Base-Base interactions energy: -350.283 where: short stacking energy: -201.487 Base-Backbone interact. energy: -1.935 local terms energy: -339.984397 where: bonds (distance) C4'-P energy: -88.860 bonds (distance) P-C4' energy: -99.396 flat angles C4'-P-C4' energy: -88.900 flat angles P-C4'-P energy: -35.045 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: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -466.840564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.840564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.840564 (E_RNA) where: Base-Base interactions energy: -166.535 where: short stacking energy: -129.411 Base-Backbone interact. energy: -0.034 local terms energy: -300.271217 where: bonds (distance) C4'-P energy: -88.599 bonds (distance) P-C4' energy: -92.627 flat angles C4'-P-C4' energy: -82.125 flat angles P-C4'-P energy: -52.769 tors. eta vs tors. theta energy: 15.848 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: 9 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -445.166126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.166126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.166126 (E_RNA) where: Base-Base interactions energy: -153.067 where: short stacking energy: -127.923 Base-Backbone interact. energy: -2.770 local terms energy: -289.329040 where: bonds (distance) C4'-P energy: -88.718 bonds (distance) P-C4' energy: -91.115 flat angles C4'-P-C4' energy: -91.082 flat angles P-C4'-P energy: -43.168 tors. eta vs tors. theta energy: 24.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1854.343102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.343102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.343102 (E_RNA) where: Base-Base interactions energy: -1261.870 where: short stacking energy: -539.632 Base-Backbone interact. energy: -3.874 local terms energy: -588.598937 where: bonds (distance) C4'-P energy: -111.737 bonds (distance) P-C4' energy: -110.592 flat angles C4'-P-C4' energy: -126.485 flat angles P-C4'-P energy: -79.723 tors. eta vs tors. theta energy: -160.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1756.923502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.923502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.923502 (E_RNA) where: Base-Base interactions energy: -1224.959 where: short stacking energy: -507.090 Base-Backbone interact. energy: 1.145 local terms energy: -533.110006 where: bonds (distance) C4'-P energy: -100.456 bonds (distance) P-C4' energy: -98.593 flat angles C4'-P-C4' energy: -119.891 flat angles P-C4'-P energy: -72.493 tors. eta vs tors. theta energy: -141.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1650.492948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.492948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.492948 (E_RNA) where: Base-Base interactions energy: -1081.255 where: short stacking energy: -449.875 Base-Backbone interact. energy: 0.570 local terms energy: -569.808372 where: bonds (distance) C4'-P energy: -111.510 bonds (distance) P-C4' energy: -119.323 flat angles C4'-P-C4' energy: -122.046 flat angles P-C4'-P energy: -82.443 tors. eta vs tors. theta energy: -134.487 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: 4, replica: 6 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1579.737580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.737580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.737580 (E_RNA) where: Base-Base interactions energy: -1078.948 where: short stacking energy: -455.157 Base-Backbone interact. energy: -4.386 local terms energy: -496.403616 where: bonds (distance) C4'-P energy: -91.329 bonds (distance) P-C4' energy: -95.243 flat angles C4'-P-C4' energy: -102.905 flat angles P-C4'-P energy: -84.611 tors. eta vs tors. theta energy: -122.316 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: 1 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1370.731853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.731853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.731853 (E_RNA) where: Base-Base interactions energy: -876.621 where: short stacking energy: -400.437 Base-Backbone interact. energy: -0.940 local terms energy: -493.171627 where: bonds (distance) C4'-P energy: -99.881 bonds (distance) P-C4' energy: -98.280 flat angles C4'-P-C4' energy: -115.972 flat angles P-C4'-P energy: -64.200 tors. eta vs tors. theta energy: -114.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1317.811248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.811248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.811248 (E_RNA) where: Base-Base interactions energy: -851.309 where: short stacking energy: -373.913 Base-Backbone interact. energy: -0.837 local terms energy: -465.665025 where: bonds (distance) C4'-P energy: -101.586 bonds (distance) P-C4' energy: -106.408 flat angles C4'-P-C4' energy: -88.091 flat angles P-C4'-P energy: -65.536 tors. eta vs tors. theta energy: -104.044 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: 7, replica: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1000.498557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.498557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.498557 (E_RNA) where: Base-Base interactions energy: -618.361 where: short stacking energy: -296.499 Base-Backbone interact. energy: -0.237 local terms energy: -381.901095 where: bonds (distance) C4'-P energy: -85.449 bonds (distance) P-C4' energy: -99.029 flat angles C4'-P-C4' energy: -87.722 flat angles P-C4'-P energy: -56.002 tors. eta vs tors. theta energy: -53.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -698.558410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.558410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.558410 (E_RNA) where: Base-Base interactions energy: -353.251 where: short stacking energy: -208.638 Base-Backbone interact. energy: -1.361 local terms energy: -343.946107 where: bonds (distance) C4'-P energy: -95.428 bonds (distance) P-C4' energy: -101.699 flat angles C4'-P-C4' energy: -77.524 flat angles P-C4'-P energy: -48.770 tors. eta vs tors. theta energy: -20.525 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: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -466.143443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.143443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.143443 (E_RNA) where: Base-Base interactions energy: -174.401 where: short stacking energy: -137.492 Base-Backbone interact. energy: -3.420 local terms energy: -288.322420 where: bonds (distance) C4'-P energy: -98.637 bonds (distance) P-C4' energy: -88.056 flat angles C4'-P-C4' energy: -70.963 flat angles P-C4'-P energy: -31.883 tors. eta vs tors. theta energy: 1.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -457.274156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.274156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.274156 (E_RNA) where: Base-Base interactions energy: -180.330 where: short stacking energy: -139.150 Base-Backbone interact. energy: -1.357 local terms energy: -275.586818 where: bonds (distance) C4'-P energy: -95.232 bonds (distance) P-C4' energy: -83.309 flat angles C4'-P-C4' energy: -78.627 flat angles P-C4'-P energy: -33.071 tors. eta vs tors. theta energy: 14.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1876.605917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.605917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.605917 (E_RNA) where: Base-Base interactions energy: -1266.003 where: short stacking energy: -568.527 Base-Backbone interact. energy: 0.246 local terms energy: -610.849352 where: bonds (distance) C4'-P energy: -101.142 bonds (distance) P-C4' energy: -107.062 flat angles C4'-P-C4' energy: -133.655 flat angles P-C4'-P energy: -88.488 tors. eta vs tors. theta energy: -180.502 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: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1762.547200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.547200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.547200 (E_RNA) where: Base-Base interactions energy: -1212.585 where: short stacking energy: -477.388 Base-Backbone interact. energy: -2.140 local terms energy: -547.822299 where: bonds (distance) C4'-P energy: -114.295 bonds (distance) P-C4' energy: -102.060 flat angles C4'-P-C4' energy: -111.110 flat angles P-C4'-P energy: -75.763 tors. eta vs tors. theta energy: -144.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1648.058208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.058208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.058208 (E_RNA) where: Base-Base interactions energy: -1130.733 where: short stacking energy: -470.926 Base-Backbone interact. energy: -1.316 local terms energy: -516.009925 where: bonds (distance) C4'-P energy: -109.774 bonds (distance) P-C4' energy: -105.616 flat angles C4'-P-C4' energy: -121.572 flat angles P-C4'-P energy: -66.491 tors. eta vs tors. theta energy: -112.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1541.667731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.667731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.667731 (E_RNA) where: Base-Base interactions energy: -1038.633 where: short stacking energy: -438.456 Base-Backbone interact. energy: -5.204 local terms energy: -497.830922 where: bonds (distance) C4'-P energy: -86.231 bonds (distance) P-C4' energy: -108.068 flat angles C4'-P-C4' energy: -112.282 flat angles P-C4'-P energy: -67.732 tors. eta vs tors. theta energy: -123.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1334.126563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.126563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.126563 (E_RNA) where: Base-Base interactions energy: -850.820 where: short stacking energy: -387.973 Base-Backbone interact. energy: -0.911 local terms energy: -482.395605 where: bonds (distance) C4'-P energy: -103.516 bonds (distance) P-C4' energy: -102.313 flat angles C4'-P-C4' energy: -101.060 flat angles P-C4'-P energy: -72.870 tors. eta vs tors. theta energy: -102.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1361.497198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.497198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.497198 (E_RNA) where: Base-Base interactions energy: -908.784 where: short stacking energy: -388.360 Base-Backbone interact. energy: -0.677 local terms energy: -452.035743 where: bonds (distance) C4'-P energy: -94.177 bonds (distance) P-C4' energy: -84.318 flat angles C4'-P-C4' energy: -104.775 flat angles P-C4'-P energy: -67.513 tors. eta vs tors. theta energy: -101.252 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: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1047.811798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.811798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.811798 (E_RNA) where: Base-Base interactions energy: -628.552 where: short stacking energy: -289.792 Base-Backbone interact. energy: 1.427 local terms energy: -420.687104 where: bonds (distance) C4'-P energy: -90.698 bonds (distance) P-C4' energy: -103.482 flat angles C4'-P-C4' energy: -100.894 flat angles P-C4'-P energy: -67.224 tors. eta vs tors. theta energy: -58.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -656.434364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.434364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.434364 (E_RNA) where: Base-Base interactions energy: -308.307 where: short stacking energy: -191.605 Base-Backbone interact. energy: -3.621 local terms energy: -344.506613 where: bonds (distance) C4'-P energy: -80.765 bonds (distance) P-C4' energy: -111.576 flat angles C4'-P-C4' energy: -85.090 flat angles P-C4'-P energy: -51.419 tors. eta vs tors. theta energy: -15.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -465.724263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.724263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.724263 (E_RNA) where: Base-Base interactions energy: -174.527 where: short stacking energy: -143.846 Base-Backbone interact. energy: -2.765 local terms energy: -288.432003 where: bonds (distance) C4'-P energy: -84.690 bonds (distance) P-C4' energy: -99.746 flat angles C4'-P-C4' energy: -95.934 flat angles P-C4'-P energy: -24.559 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: 10, replica: 9 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -419.905017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.905017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.905017 (E_RNA) where: Base-Base interactions energy: -151.580 where: short stacking energy: -88.451 Base-Backbone interact. energy: 0.935 local terms energy: -269.259970 where: bonds (distance) C4'-P energy: -86.324 bonds (distance) P-C4' energy: -86.373 flat angles C4'-P-C4' energy: -76.720 flat angles P-C4'-P energy: -40.410 tors. eta vs tors. theta energy: 20.567 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: 7 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1851.100625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.100625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.100625 (E_RNA) where: Base-Base interactions energy: -1258.477 where: short stacking energy: -539.560 Base-Backbone interact. energy: 2.193 local terms energy: -594.816813 where: bonds (distance) C4'-P energy: -103.219 bonds (distance) P-C4' energy: -111.886 flat angles C4'-P-C4' energy: -121.879 flat angles P-C4'-P energy: -88.122 tors. eta vs tors. theta energy: -169.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1724.523747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.523747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.523747 (E_RNA) where: Base-Base interactions energy: -1190.404 where: short stacking energy: -492.957 Base-Backbone interact. energy: -1.072 local terms energy: -533.048085 where: bonds (distance) C4'-P energy: -105.626 bonds (distance) P-C4' energy: -110.521 flat angles C4'-P-C4' energy: -113.872 flat angles P-C4'-P energy: -67.684 tors. eta vs tors. theta energy: -135.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1601.398710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.398710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.398710 (E_RNA) where: Base-Base interactions energy: -1059.571 where: short stacking energy: -431.508 Base-Backbone interact. energy: -2.232 local terms energy: -539.595507 where: bonds (distance) C4'-P energy: -111.277 bonds (distance) P-C4' energy: -104.005 flat angles C4'-P-C4' energy: -120.712 flat angles P-C4'-P energy: -78.580 tors. eta vs tors. theta energy: -125.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1513.971773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.971773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.971773 (E_RNA) where: Base-Base interactions energy: -1012.813 where: short stacking energy: -423.994 Base-Backbone interact. energy: -4.274 local terms energy: -496.884662 where: bonds (distance) C4'-P energy: -101.465 bonds (distance) P-C4' energy: -99.856 flat angles C4'-P-C4' energy: -109.357 flat angles P-C4'-P energy: -75.437 tors. eta vs tors. theta energy: -110.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1306.354829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.354829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.354829 (E_RNA) where: Base-Base interactions energy: -831.620 where: short stacking energy: -363.466 Base-Backbone interact. energy: -1.270 local terms energy: -473.465221 where: bonds (distance) C4'-P energy: -91.922 bonds (distance) P-C4' energy: -98.148 flat angles C4'-P-C4' energy: -122.917 flat angles P-C4'-P energy: -69.629 tors. eta vs tors. theta energy: -90.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1310.002660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.002660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.002660 (E_RNA) where: Base-Base interactions energy: -865.366 where: short stacking energy: -351.959 Base-Backbone interact. energy: -1.470 local terms energy: -443.166581 where: bonds (distance) C4'-P energy: -92.403 bonds (distance) P-C4' energy: -100.043 flat angles C4'-P-C4' energy: -97.567 flat angles P-C4'-P energy: -65.039 tors. eta vs tors. theta energy: -88.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1068.619057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.619057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.619057 (E_RNA) where: Base-Base interactions energy: -629.600 where: short stacking energy: -310.349 Base-Backbone interact. energy: -0.021 local terms energy: -438.998326 where: bonds (distance) C4'-P energy: -109.080 bonds (distance) P-C4' energy: -97.405 flat angles C4'-P-C4' energy: -98.089 flat angles P-C4'-P energy: -61.264 tors. eta vs tors. theta energy: -73.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -672.648097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.648097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.648097 (E_RNA) where: Base-Base interactions energy: -333.115 where: short stacking energy: -182.162 Base-Backbone interact. energy: 1.935 local terms energy: -341.469017 where: bonds (distance) C4'-P energy: -92.176 bonds (distance) P-C4' energy: -98.640 flat angles C4'-P-C4' energy: -97.766 flat angles P-C4'-P energy: -48.487 tors. eta vs tors. theta energy: -4.400 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: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -445.261360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.261360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.261360 (E_RNA) where: Base-Base interactions energy: -165.362 where: short stacking energy: -159.710 Base-Backbone interact. energy: 0.421 local terms energy: -280.320264 where: bonds (distance) C4'-P energy: -73.613 bonds (distance) P-C4' energy: -92.202 flat angles C4'-P-C4' energy: -92.343 flat angles P-C4'-P energy: -25.142 tors. eta vs tors. theta energy: 2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -411.173838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.173838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.173838 (E_RNA) where: Base-Base interactions energy: -157.156 where: short stacking energy: -121.181 Base-Backbone interact. energy: 3.085 local terms energy: -257.103010 where: bonds (distance) C4'-P energy: -76.031 bonds (distance) P-C4' energy: -103.160 flat angles C4'-P-C4' energy: -75.826 flat angles P-C4'-P energy: -34.555 tors. eta vs tors. theta energy: 32.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1870.144101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.144101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.144101 (E_RNA) where: Base-Base interactions energy: -1264.489 where: short stacking energy: -546.298 Base-Backbone interact. energy: -2.390 local terms energy: -603.264711 where: bonds (distance) C4'-P energy: -112.906 bonds (distance) P-C4' energy: -114.653 flat angles C4'-P-C4' energy: -127.839 flat angles P-C4'-P energy: -75.568 tors. eta vs tors. theta energy: -172.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1739.246082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.246082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.246082 (E_RNA) where: Base-Base interactions energy: -1184.601 where: short stacking energy: -488.362 Base-Backbone interact. energy: -1.724 local terms energy: -552.921833 where: bonds (distance) C4'-P energy: -106.063 bonds (distance) P-C4' energy: -119.181 flat angles C4'-P-C4' energy: -105.696 flat angles P-C4'-P energy: -82.458 tors. eta vs tors. theta energy: -139.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1634.823702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.823702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.823702 (E_RNA) where: Base-Base interactions energy: -1098.089 where: short stacking energy: -473.593 Base-Backbone interact. energy: -2.374 local terms energy: -534.361047 where: bonds (distance) C4'-P energy: -102.267 bonds (distance) P-C4' energy: -99.543 flat angles C4'-P-C4' energy: -115.301 flat angles P-C4'-P energy: -82.562 tors. eta vs tors. theta energy: -134.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1584.351662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.351662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.351662 (E_RNA) where: Base-Base interactions energy: -1038.448 where: short stacking energy: -445.804 Base-Backbone interact. energy: 0.029 local terms energy: -545.932097 where: bonds (distance) C4'-P energy: -104.663 bonds (distance) P-C4' energy: -119.413 flat angles C4'-P-C4' energy: -115.318 flat angles P-C4'-P energy: -80.408 tors. eta vs tors. theta energy: -126.131 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: 5, replica: 1 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1368.653867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.653867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.653867 (E_RNA) where: Base-Base interactions energy: -890.022 where: short stacking energy: -376.362 Base-Backbone interact. energy: -1.540 local terms energy: -477.092343 where: bonds (distance) C4'-P energy: -108.653 bonds (distance) P-C4' energy: -102.615 flat angles C4'-P-C4' energy: -104.728 flat angles P-C4'-P energy: -59.166 tors. eta vs tors. theta energy: -101.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1229.601382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.601382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.601382 (E_RNA) where: Base-Base interactions energy: -787.042 where: short stacking energy: -357.728 Base-Backbone interact. energy: -1.441 local terms energy: -441.118400 where: bonds (distance) C4'-P energy: -95.255 bonds (distance) P-C4' energy: -89.823 flat angles C4'-P-C4' energy: -108.469 flat angles P-C4'-P energy: -63.977 tors. eta vs tors. theta energy: -83.595 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: 270 Temperature: 1.200000 Total energy: -1035.470400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.470400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.470400 (E_RNA) where: Base-Base interactions energy: -623.068 where: short stacking energy: -293.829 Base-Backbone interact. energy: -2.076 local terms energy: -410.326000 where: bonds (distance) C4'-P energy: -87.887 bonds (distance) P-C4' energy: -96.060 flat angles C4'-P-C4' energy: -96.291 flat angles P-C4'-P energy: -58.865 tors. eta vs tors. theta energy: -71.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -651.342838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.342838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.342838 (E_RNA) where: Base-Base interactions energy: -337.569 where: short stacking energy: -204.554 Base-Backbone interact. energy: -0.866 local terms energy: -312.907823 where: bonds (distance) C4'-P energy: -85.641 bonds (distance) P-C4' energy: -78.604 flat angles C4'-P-C4' energy: -101.974 flat angles P-C4'-P energy: -39.234 tors. eta vs tors. theta energy: -7.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -436.458566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.458566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.458566 (E_RNA) where: Base-Base interactions energy: -125.414 where: short stacking energy: -101.485 Base-Backbone interact. energy: 5.215 local terms energy: -316.259730 where: bonds (distance) C4'-P energy: -84.943 bonds (distance) P-C4' energy: -83.469 flat angles C4'-P-C4' energy: -94.023 flat angles P-C4'-P energy: -70.316 tors. eta vs tors. theta energy: 16.491 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: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -432.959350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.959350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.959350 (E_RNA) where: Base-Base interactions energy: -127.323 where: short stacking energy: -102.119 Base-Backbone interact. energy: 1.027 local terms energy: -306.663359 where: bonds (distance) C4'-P energy: -88.849 bonds (distance) P-C4' energy: -102.011 flat angles C4'-P-C4' energy: -79.013 flat angles P-C4'-P energy: -42.462 tors. eta vs tors. theta energy: 5.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1862.121316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.121316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.121316 (E_RNA) where: Base-Base interactions energy: -1275.601 where: short stacking energy: -546.562 Base-Backbone interact. energy: 0.422 local terms energy: -586.941550 where: bonds (distance) C4'-P energy: -108.911 bonds (distance) P-C4' energy: -120.385 flat angles C4'-P-C4' energy: -114.617 flat angles P-C4'-P energy: -81.649 tors. eta vs tors. theta energy: -161.380 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: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1785.683655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.683655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.683655 (E_RNA) where: Base-Base interactions energy: -1224.162 where: short stacking energy: -518.579 Base-Backbone interact. energy: -3.929 local terms energy: -557.592052 where: bonds (distance) C4'-P energy: -105.194 bonds (distance) P-C4' energy: -116.715 flat angles C4'-P-C4' energy: -114.154 flat angles P-C4'-P energy: -68.547 tors. eta vs tors. theta energy: -152.982 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: 6 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1653.867890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.867890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.867890 (E_RNA) where: Base-Base interactions energy: -1140.611 where: short stacking energy: -479.459 Base-Backbone interact. energy: 0.371 local terms energy: -513.628233 where: bonds (distance) C4'-P energy: -106.575 bonds (distance) P-C4' energy: -84.672 flat angles C4'-P-C4' energy: -116.676 flat angles P-C4'-P energy: -73.073 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: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1517.919302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.919302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.919302 (E_RNA) where: Base-Base interactions energy: -1033.362 where: short stacking energy: -415.532 Base-Backbone interact. energy: -2.659 local terms energy: -481.898830 where: bonds (distance) C4'-P energy: -96.713 bonds (distance) P-C4' energy: -98.839 flat angles C4'-P-C4' energy: -101.621 flat angles P-C4'-P energy: -71.180 tors. eta vs tors. theta energy: -113.545 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: 5, replica: 1 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1375.541923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.541923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.541923 (E_RNA) where: Base-Base interactions energy: -880.364 where: short stacking energy: -393.866 Base-Backbone interact. energy: 0.217 local terms energy: -495.394746 where: bonds (distance) C4'-P energy: -98.020 bonds (distance) P-C4' energy: -110.818 flat angles C4'-P-C4' energy: -102.401 flat angles P-C4'-P energy: -71.850 tors. eta vs tors. theta energy: -112.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1311.752817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.752817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.752817 (E_RNA) where: Base-Base interactions energy: -830.677 where: short stacking energy: -391.664 Base-Backbone interact. energy: -2.173 local terms energy: -478.903151 where: bonds (distance) C4'-P energy: -97.586 bonds (distance) P-C4' energy: -101.121 flat angles C4'-P-C4' energy: -116.412 flat angles P-C4'-P energy: -69.770 tors. eta vs tors. theta energy: -94.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1033.476528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.476528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.476528 (E_RNA) where: Base-Base interactions energy: -630.553 where: short stacking energy: -294.214 Base-Backbone interact. energy: -0.230 local terms energy: -402.693857 where: bonds (distance) C4'-P energy: -87.385 bonds (distance) P-C4' energy: -92.744 flat angles C4'-P-C4' energy: -110.532 flat angles P-C4'-P energy: -49.370 tors. eta vs tors. theta energy: -62.663 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: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -638.361178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.361178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.361178 (E_RNA) where: Base-Base interactions energy: -277.241 where: short stacking energy: -168.870 Base-Backbone interact. energy: 0.993 local terms energy: -362.113324 where: bonds (distance) C4'-P energy: -97.393 bonds (distance) P-C4' energy: -95.006 flat angles C4'-P-C4' energy: -102.023 flat angles P-C4'-P energy: -44.454 tors. eta vs tors. theta energy: -23.238 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: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -461.647398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.647398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.647398 (E_RNA) where: Base-Base interactions energy: -160.384 where: short stacking energy: -124.876 Base-Backbone interact. energy: 2.594 local terms energy: -303.856511 where: bonds (distance) C4'-P energy: -86.645 bonds (distance) P-C4' energy: -106.550 flat angles C4'-P-C4' energy: -73.653 flat angles P-C4'-P energy: -47.581 tors. eta vs tors. theta energy: 10.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -427.196044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.196044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.196044 (E_RNA) where: Base-Base interactions energy: -166.269 where: short stacking energy: -121.015 Base-Backbone interact. energy: 1.287 local terms energy: -262.214250 where: bonds (distance) C4'-P energy: -73.222 bonds (distance) P-C4' energy: -95.886 flat angles C4'-P-C4' energy: -81.573 flat angles P-C4'-P energy: -34.558 tors. eta vs tors. theta energy: 23.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1871.120532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.120532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.120532 (E_RNA) where: Base-Base interactions energy: -1294.918 where: short stacking energy: -536.586 Base-Backbone interact. energy: 2.159 local terms energy: -578.361441 where: bonds (distance) C4'-P energy: -100.467 bonds (distance) P-C4' energy: -118.277 flat angles C4'-P-C4' energy: -111.021 flat angles P-C4'-P energy: -80.056 tors. eta vs tors. theta energy: -168.541 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: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1759.059213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.059213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.059213 (E_RNA) where: Base-Base interactions energy: -1187.853 where: short stacking energy: -469.877 Base-Backbone interact. energy: -1.865 local terms energy: -569.341266 where: bonds (distance) C4'-P energy: -106.050 bonds (distance) P-C4' energy: -117.380 flat angles C4'-P-C4' energy: -127.874 flat angles P-C4'-P energy: -83.732 tors. eta vs tors. theta energy: -134.305 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: 272 Temperature: 1.000000 Total energy: -1659.372400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.372400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.372400 (E_RNA) where: Base-Base interactions energy: -1128.825 where: short stacking energy: -483.818 Base-Backbone interact. energy: -1.960 local terms energy: -528.587076 where: bonds (distance) C4'-P energy: -98.987 bonds (distance) P-C4' energy: -104.486 flat angles C4'-P-C4' energy: -113.268 flat angles P-C4'-P energy: -75.787 tors. eta vs tors. theta energy: -136.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1547.360640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.360640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.360640 (E_RNA) where: Base-Base interactions energy: -1059.522 where: short stacking energy: -443.326 Base-Backbone interact. energy: 2.215 local terms energy: -490.053832 where: bonds (distance) C4'-P energy: -87.974 bonds (distance) P-C4' energy: -91.003 flat angles C4'-P-C4' energy: -109.127 flat angles P-C4'-P energy: -82.138 tors. eta vs tors. theta energy: -119.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1401.377176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.377176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.377176 (E_RNA) where: Base-Base interactions energy: -872.921 where: short stacking energy: -403.659 Base-Backbone interact. energy: -1.424 local terms energy: -527.032219 where: bonds (distance) C4'-P energy: -109.418 bonds (distance) P-C4' energy: -104.001 flat angles C4'-P-C4' energy: -127.674 flat angles P-C4'-P energy: -67.077 tors. eta vs tors. theta energy: -118.862 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: 272 Temperature: 1.150000 Total energy: -1254.152369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.152369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.152369 (E_RNA) where: Base-Base interactions energy: -784.529 where: short stacking energy: -351.562 Base-Backbone interact. energy: 0.883 local terms energy: -470.505939 where: bonds (distance) C4'-P energy: -107.313 bonds (distance) P-C4' energy: -107.761 flat angles C4'-P-C4' energy: -99.278 flat angles P-C4'-P energy: -56.186 tors. eta vs tors. theta energy: -99.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1084.376761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.376761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.376761 (E_RNA) where: Base-Base interactions energy: -663.374 where: short stacking energy: -290.726 Base-Backbone interact. energy: 2.857 local terms energy: -423.859308 where: bonds (distance) C4'-P energy: -99.962 bonds (distance) P-C4' energy: -105.254 flat angles C4'-P-C4' energy: -105.984 flat angles P-C4'-P energy: -51.538 tors. eta vs tors. theta energy: -61.122 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: 272 Temperature: 1.250000 Total energy: -636.738667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.738667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.738667 (E_RNA) where: Base-Base interactions energy: -343.813 where: short stacking energy: -188.901 Base-Backbone interact. energy: -3.353 local terms energy: -289.573089 where: bonds (distance) C4'-P energy: -80.395 bonds (distance) P-C4' energy: -101.531 flat angles C4'-P-C4' energy: -72.483 flat angles P-C4'-P energy: -49.941 tors. eta vs tors. theta energy: 14.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -473.175228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.175228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.175228 (E_RNA) where: Base-Base interactions energy: -179.547 where: short stacking energy: -154.249 Base-Backbone interact. energy: -2.272 local terms energy: -291.356525 where: bonds (distance) C4'-P energy: -87.868 bonds (distance) P-C4' energy: -82.504 flat angles C4'-P-C4' energy: -80.995 flat angles P-C4'-P energy: -45.870 tors. eta vs tors. theta energy: 5.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -409.670307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.670307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.670307 (E_RNA) where: Base-Base interactions energy: -140.054 where: short stacking energy: -119.058 Base-Backbone interact. energy: 0.287 local terms energy: -269.904220 where: bonds (distance) C4'-P energy: -79.018 bonds (distance) P-C4' energy: -95.420 flat angles C4'-P-C4' energy: -79.410 flat angles P-C4'-P energy: -37.486 tors. eta vs tors. theta energy: 21.430 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: 7 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1881.239725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.239725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.239725 (E_RNA) where: Base-Base interactions energy: -1291.478 where: short stacking energy: -564.431 Base-Backbone interact. energy: -1.024 local terms energy: -588.737956 where: bonds (distance) C4'-P energy: -107.639 bonds (distance) P-C4' energy: -109.871 flat angles C4'-P-C4' energy: -129.627 flat angles P-C4'-P energy: -68.143 tors. eta vs tors. theta energy: -173.458 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: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1769.385160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.385160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.385160 (E_RNA) where: Base-Base interactions energy: -1219.186 where: short stacking energy: -515.556 Base-Backbone interact. energy: -0.197 local terms energy: -550.002919 where: bonds (distance) C4'-P energy: -99.115 bonds (distance) P-C4' energy: -115.338 flat angles C4'-P-C4' energy: -116.576 flat angles P-C4'-P energy: -78.923 tors. eta vs tors. theta energy: -140.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1611.652553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.652553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.652553 (E_RNA) where: Base-Base interactions energy: -1091.698 where: short stacking energy: -466.528 Base-Backbone interact. energy: -1.205 local terms energy: -518.749589 where: bonds (distance) C4'-P energy: -100.165 bonds (distance) P-C4' energy: -99.559 flat angles C4'-P-C4' energy: -120.991 flat angles P-C4'-P energy: -79.594 tors. eta vs tors. theta energy: -118.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1523.558664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.558664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.558664 (E_RNA) where: Base-Base interactions energy: -997.017 where: short stacking energy: -449.371 Base-Backbone interact. energy: -2.135 local terms energy: -524.406258 where: bonds (distance) C4'-P energy: -101.889 bonds (distance) P-C4' energy: -110.697 flat angles C4'-P-C4' energy: -116.665 flat angles P-C4'-P energy: -71.847 tors. eta vs tors. theta energy: -123.308 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: 1 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1390.543822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.543822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.543822 (E_RNA) where: Base-Base interactions energy: -912.074 where: short stacking energy: -438.401 Base-Backbone interact. energy: -1.735 local terms energy: -476.735252 where: bonds (distance) C4'-P energy: -82.834 bonds (distance) P-C4' energy: -85.418 flat angles C4'-P-C4' energy: -116.749 flat angles P-C4'-P energy: -67.246 tors. eta vs tors. theta energy: -124.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1315.511201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.511201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.511201 (E_RNA) where: Base-Base interactions energy: -856.444 where: short stacking energy: -374.732 Base-Backbone interact. energy: 4.489 local terms energy: -463.556940 where: bonds (distance) C4'-P energy: -88.954 bonds (distance) P-C4' energy: -101.902 flat angles C4'-P-C4' energy: -101.992 flat angles P-C4'-P energy: -73.830 tors. eta vs tors. theta energy: -96.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1135.914697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.914697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.914697 (E_RNA) where: Base-Base interactions energy: -731.409 where: short stacking energy: -333.286 Base-Backbone interact. energy: -0.752 local terms energy: -403.753933 where: bonds (distance) C4'-P energy: -80.432 bonds (distance) P-C4' energy: -87.571 flat angles C4'-P-C4' energy: -100.610 flat angles P-C4'-P energy: -56.118 tors. eta vs tors. theta energy: -79.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -633.333039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.333039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.333039 (E_RNA) where: Base-Base interactions energy: -278.788 where: short stacking energy: -178.502 Base-Backbone interact. energy: -2.199 local terms energy: -352.346530 where: bonds (distance) C4'-P energy: -94.999 bonds (distance) P-C4' energy: -94.154 flat angles C4'-P-C4' energy: -92.244 flat angles P-C4'-P energy: -59.919 tors. eta vs tors. theta energy: -11.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -451.778306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.778306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.778306 (E_RNA) where: Base-Base interactions energy: -168.680 where: short stacking energy: -128.185 Base-Backbone interact. energy: -2.003 local terms energy: -281.095256 where: bonds (distance) C4'-P energy: -87.688 bonds (distance) P-C4' energy: -98.367 flat angles C4'-P-C4' energy: -74.254 flat angles P-C4'-P energy: -48.017 tors. eta vs tors. theta energy: 27.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -423.923962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.923962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.923962 (E_RNA) where: Base-Base interactions energy: -135.751 where: short stacking energy: -104.668 Base-Backbone interact. energy: 2.836 local terms energy: -291.009003 where: bonds (distance) C4'-P energy: -103.959 bonds (distance) P-C4' energy: -99.971 flat angles C4'-P-C4' energy: -71.414 flat angles P-C4'-P energy: -40.216 tors. eta vs tors. theta energy: 24.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1896.558877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.558877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.558877 (E_RNA) where: Base-Base interactions energy: -1281.681 where: short stacking energy: -576.220 Base-Backbone interact. energy: -1.094 local terms energy: -613.784452 where: bonds (distance) C4'-P energy: -113.261 bonds (distance) P-C4' energy: -107.935 flat angles C4'-P-C4' energy: -129.224 flat angles P-C4'-P energy: -84.487 tors. eta vs tors. theta energy: -178.876 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: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1786.622171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.622171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.622171 (E_RNA) where: Base-Base interactions energy: -1214.476 where: short stacking energy: -524.641 Base-Backbone interact. energy: -3.076 local terms energy: -569.069653 where: bonds (distance) C4'-P energy: -111.010 bonds (distance) P-C4' energy: -112.236 flat angles C4'-P-C4' energy: -123.978 flat angles P-C4'-P energy: -66.651 tors. eta vs tors. theta energy: -155.195 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: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1651.941023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.941023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.941023 (E_RNA) where: Base-Base interactions energy: -1102.832 where: short stacking energy: -451.958 Base-Backbone interact. energy: -4.060 local terms energy: -545.048114 where: bonds (distance) C4'-P energy: -115.349 bonds (distance) P-C4' energy: -92.142 flat angles C4'-P-C4' energy: -128.938 flat angles P-C4'-P energy: -78.971 tors. eta vs tors. theta energy: -129.649 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: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1521.709442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.709442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.709442 (E_RNA) where: Base-Base interactions energy: -1023.388 where: short stacking energy: -414.439 Base-Backbone interact. energy: -4.265 local terms energy: -494.055885 where: bonds (distance) C4'-P energy: -114.626 bonds (distance) P-C4' energy: -109.315 flat angles C4'-P-C4' energy: -99.893 flat angles P-C4'-P energy: -64.626 tors. eta vs tors. theta energy: -105.596 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: 1 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1398.291533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.291533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.291533 (E_RNA) where: Base-Base interactions energy: -902.815 where: short stacking energy: -397.265 Base-Backbone interact. energy: -0.203 local terms energy: -495.273980 where: bonds (distance) C4'-P energy: -108.585 bonds (distance) P-C4' energy: -100.037 flat angles C4'-P-C4' energy: -103.601 flat angles P-C4'-P energy: -71.155 tors. eta vs tors. theta energy: -111.896 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: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1339.465413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.465413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.465413 (E_RNA) where: Base-Base interactions energy: -870.771 where: short stacking energy: -413.408 Base-Backbone interact. energy: -1.337 local terms energy: -467.357809 where: bonds (distance) C4'-P energy: -92.551 bonds (distance) P-C4' energy: -104.808 flat angles C4'-P-C4' energy: -94.329 flat angles P-C4'-P energy: -72.390 tors. eta vs tors. theta energy: -103.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1122.211651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.211651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.211651 (E_RNA) where: Base-Base interactions energy: -705.007 where: short stacking energy: -308.071 Base-Backbone interact. energy: -1.504 local terms energy: -415.700364 where: bonds (distance) C4'-P energy: -97.241 bonds (distance) P-C4' energy: -109.348 flat angles C4'-P-C4' energy: -95.260 flat angles P-C4'-P energy: -46.852 tors. eta vs tors. theta energy: -66.999 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: 274 Temperature: 1.250000 Total energy: -594.905533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.905533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.905533 (E_RNA) where: Base-Base interactions energy: -277.362 where: short stacking energy: -186.974 Base-Backbone interact. energy: 4.618 local terms energy: -322.161713 where: bonds (distance) C4'-P energy: -78.478 bonds (distance) P-C4' energy: -98.679 flat angles C4'-P-C4' energy: -81.558 flat angles P-C4'-P energy: -60.414 tors. eta vs tors. theta energy: -3.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -507.449422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.449422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.449422 (E_RNA) where: Base-Base interactions energy: -187.935 where: short stacking energy: -142.030 Base-Backbone interact. energy: 5.424 local terms energy: -324.939055 where: bonds (distance) C4'-P energy: -96.569 bonds (distance) P-C4' energy: -95.625 flat angles C4'-P-C4' energy: -85.820 flat angles P-C4'-P energy: -53.617 tors. eta vs tors. theta energy: 6.692 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: 10, replica: 4 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -408.965148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.965148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.965148 (E_RNA) where: Base-Base interactions energy: -142.966 where: short stacking energy: -135.338 Base-Backbone interact. energy: 12.143 local terms energy: -278.142210 where: bonds (distance) C4'-P energy: -87.607 bonds (distance) P-C4' energy: -100.636 flat angles C4'-P-C4' energy: -65.543 flat angles P-C4'-P energy: -40.478 tors. eta vs tors. theta energy: 16.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1904.530148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.530148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.530148 (E_RNA) where: Base-Base interactions energy: -1297.809 where: short stacking energy: -567.241 Base-Backbone interact. energy: -1.981 local terms energy: -604.740326 where: bonds (distance) C4'-P energy: -97.258 bonds (distance) P-C4' energy: -119.993 flat angles C4'-P-C4' energy: -129.887 flat angles P-C4'-P energy: -85.571 tors. eta vs tors. theta energy: -172.032 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: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1788.328533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.328533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.328533 (E_RNA) where: Base-Base interactions energy: -1223.336 where: short stacking energy: -520.440 Base-Backbone interact. energy: -0.513 local terms energy: -564.479195 where: bonds (distance) C4'-P energy: -97.526 bonds (distance) P-C4' energy: -118.319 flat angles C4'-P-C4' energy: -118.137 flat angles P-C4'-P energy: -78.667 tors. eta vs tors. theta energy: -151.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1629.893782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.893782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.893782 (E_RNA) where: Base-Base interactions energy: -1116.059 where: short stacking energy: -451.720 Base-Backbone interact. energy: 0.302 local terms energy: -514.136660 where: bonds (distance) C4'-P energy: -102.438 bonds (distance) P-C4' energy: -116.644 flat angles C4'-P-C4' energy: -101.521 flat angles P-C4'-P energy: -77.330 tors. eta vs tors. theta energy: -116.204 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: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1597.593060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.593060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.593060 (E_RNA) where: Base-Base interactions energy: -1108.179 where: short stacking energy: -470.980 Base-Backbone interact. energy: 3.068 local terms energy: -492.482334 where: bonds (distance) C4'-P energy: -79.918 bonds (distance) P-C4' energy: -109.591 flat angles C4'-P-C4' energy: -104.177 flat angles P-C4'-P energy: -68.121 tors. eta vs tors. theta energy: -130.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1428.749632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.749632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.749632 (E_RNA) where: Base-Base interactions energy: -911.803 where: short stacking energy: -448.180 Base-Backbone interact. energy: -0.152 local terms energy: -516.794780 where: bonds (distance) C4'-P energy: -83.611 bonds (distance) P-C4' energy: -114.939 flat angles C4'-P-C4' energy: -108.292 flat angles P-C4'-P energy: -79.139 tors. eta vs tors. theta energy: -130.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1301.682128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.682128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.682128 (E_RNA) where: Base-Base interactions energy: -828.367 where: short stacking energy: -367.436 Base-Backbone interact. energy: 1.699 local terms energy: -475.013943 where: bonds (distance) C4'-P energy: -110.729 bonds (distance) P-C4' energy: -89.410 flat angles C4'-P-C4' energy: -112.133 flat angles P-C4'-P energy: -65.934 tors. eta vs tors. theta energy: -96.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1108.978356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.978356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.978356 (E_RNA) where: Base-Base interactions energy: -675.590 where: short stacking energy: -320.423 Base-Backbone interact. energy: -0.723 local terms energy: -432.665838 where: bonds (distance) C4'-P energy: -93.478 bonds (distance) P-C4' energy: -92.138 flat angles C4'-P-C4' energy: -116.290 flat angles P-C4'-P energy: -55.075 tors. eta vs tors. theta energy: -75.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -611.305195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.305195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.305195 (E_RNA) where: Base-Base interactions energy: -293.573 where: short stacking energy: -167.457 Base-Backbone interact. energy: 1.579 local terms energy: -319.311246 where: bonds (distance) C4'-P energy: -90.035 bonds (distance) P-C4' energy: -99.066 flat angles C4'-P-C4' energy: -84.578 flat angles P-C4'-P energy: -45.607 tors. eta vs tors. theta energy: -0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -459.884455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.884455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.884455 (E_RNA) where: Base-Base interactions energy: -129.326 where: short stacking energy: -111.829 Base-Backbone interact. energy: -3.800 local terms energy: -326.758774 where: bonds (distance) C4'-P energy: -106.120 bonds (distance) P-C4' energy: -96.250 flat angles C4'-P-C4' energy: -96.009 flat angles P-C4'-P energy: -46.322 tors. eta vs tors. theta energy: 17.942 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: 4 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -418.012332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.012332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.012332 (E_RNA) where: Base-Base interactions energy: -128.659 where: short stacking energy: -103.765 Base-Backbone interact. energy: -0.244 local terms energy: -289.109074 where: bonds (distance) C4'-P energy: -105.803 bonds (distance) P-C4' energy: -92.397 flat angles C4'-P-C4' energy: -67.275 flat angles P-C4'-P energy: -45.148 tors. eta vs tors. theta energy: 21.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1883.461330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.461330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.461330 (E_RNA) where: Base-Base interactions energy: -1277.798 where: short stacking energy: -551.578 Base-Backbone interact. energy: -1.859 local terms energy: -603.804181 where: bonds (distance) C4'-P energy: -106.527 bonds (distance) P-C4' energy: -121.552 flat angles C4'-P-C4' energy: -129.743 flat angles P-C4'-P energy: -71.117 tors. eta vs tors. theta energy: -174.866 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: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1775.251559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.251559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.251559 (E_RNA) where: Base-Base interactions energy: -1208.984 where: short stacking energy: -512.675 Base-Backbone interact. energy: -2.636 local terms energy: -563.631248 where: bonds (distance) C4'-P energy: -125.915 bonds (distance) P-C4' energy: -106.833 flat angles C4'-P-C4' energy: -115.351 flat angles P-C4'-P energy: -65.146 tors. eta vs tors. theta energy: -150.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1616.932208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.932208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.932208 (E_RNA) where: Base-Base interactions energy: -1099.337 where: short stacking energy: -463.737 Base-Backbone interact. energy: -1.294 local terms energy: -516.300910 where: bonds (distance) C4'-P energy: -113.385 bonds (distance) P-C4' energy: -98.945 flat angles C4'-P-C4' energy: -114.655 flat angles P-C4'-P energy: -66.344 tors. eta vs tors. theta energy: -122.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1568.374744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.374744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.374744 (E_RNA) where: Base-Base interactions energy: -1055.547 where: short stacking energy: -447.772 Base-Backbone interact. energy: -1.779 local terms energy: -511.049014 where: bonds (distance) C4'-P energy: -97.809 bonds (distance) P-C4' energy: -100.337 flat angles C4'-P-C4' energy: -115.097 flat angles P-C4'-P energy: -68.388 tors. eta vs tors. theta energy: -129.419 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: 1 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1458.547890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.547890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.547890 (E_RNA) where: Base-Base interactions energy: -937.506 where: short stacking energy: -416.909 Base-Backbone interact. energy: -1.680 local terms energy: -519.361529 where: bonds (distance) C4'-P energy: -98.293 bonds (distance) P-C4' energy: -107.156 flat angles C4'-P-C4' energy: -121.054 flat angles P-C4'-P energy: -77.362 tors. eta vs tors. theta energy: -115.497 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: 276 Temperature: 1.150000 Total energy: -1333.447171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.447171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.447171 (E_RNA) where: Base-Base interactions energy: -851.080 where: short stacking energy: -363.135 Base-Backbone interact. energy: -2.430 local terms energy: -479.936792 where: bonds (distance) C4'-P energy: -91.134 bonds (distance) P-C4' energy: -100.688 flat angles C4'-P-C4' energy: -102.979 flat angles P-C4'-P energy: -74.941 tors. eta vs tors. theta energy: -110.195 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: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1070.602412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.602412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.602412 (E_RNA) where: Base-Base interactions energy: -682.657 where: short stacking energy: -289.219 Base-Backbone interact. energy: -2.795 local terms energy: -385.150623 where: bonds (distance) C4'-P energy: -103.369 bonds (distance) P-C4' energy: -88.153 flat angles C4'-P-C4' energy: -89.321 flat angles P-C4'-P energy: -51.801 tors. eta vs tors. theta energy: -52.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -643.923202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.923202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.923202 (E_RNA) where: Base-Base interactions energy: -325.222 where: short stacking energy: -199.363 Base-Backbone interact. energy: 6.375 local terms energy: -325.076336 where: bonds (distance) C4'-P energy: -74.694 bonds (distance) P-C4' energy: -106.078 flat angles C4'-P-C4' energy: -84.618 flat angles P-C4'-P energy: -47.384 tors. eta vs tors. theta energy: -12.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -493.434920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.434920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.434920 (E_RNA) where: Base-Base interactions energy: -191.864 where: short stacking energy: -122.814 Base-Backbone interact. energy: 3.799 local terms energy: -305.370038 where: bonds (distance) C4'-P energy: -96.614 bonds (distance) P-C4' energy: -94.345 flat angles C4'-P-C4' energy: -66.413 flat angles P-C4'-P energy: -45.984 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -425.910024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.910024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.910024 (E_RNA) where: Base-Base interactions energy: -135.287 where: short stacking energy: -96.116 Base-Backbone interact. energy: -1.040 local terms energy: -289.582786 where: bonds (distance) C4'-P energy: -87.482 bonds (distance) P-C4' energy: -93.497 flat angles C4'-P-C4' energy: -90.297 flat angles P-C4'-P energy: -35.538 tors. eta vs tors. theta energy: 17.231 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: 7 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1878.126484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.126484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.126484 (E_RNA) where: Base-Base interactions energy: -1274.302 where: short stacking energy: -553.551 Base-Backbone interact. energy: -1.265 local terms energy: -602.559186 where: bonds (distance) C4'-P energy: -105.283 bonds (distance) P-C4' energy: -121.422 flat angles C4'-P-C4' energy: -125.574 flat angles P-C4'-P energy: -84.027 tors. eta vs tors. theta energy: -166.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1772.124730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.124730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.124730 (E_RNA) where: Base-Base interactions energy: -1199.700 where: short stacking energy: -482.256 Base-Backbone interact. energy: -3.838 local terms energy: -568.586853 where: bonds (distance) C4'-P energy: -115.244 bonds (distance) P-C4' energy: -109.900 flat angles C4'-P-C4' energy: -130.913 flat angles P-C4'-P energy: -70.877 tors. eta vs tors. theta energy: -141.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1681.613579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.613579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.613579 (E_RNA) where: Base-Base interactions energy: -1133.938 where: short stacking energy: -476.713 Base-Backbone interact. energy: -1.605 local terms energy: -546.070827 where: bonds (distance) C4'-P energy: -115.885 bonds (distance) P-C4' energy: -105.777 flat angles C4'-P-C4' energy: -123.102 flat angles P-C4'-P energy: -67.155 tors. eta vs tors. theta energy: -134.151 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: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1549.515532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.515532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.515532 (E_RNA) where: Base-Base interactions energy: -1042.304 where: short stacking energy: -430.851 Base-Backbone interact. energy: -2.805 local terms energy: -504.406176 where: bonds (distance) C4'-P energy: -79.429 bonds (distance) P-C4' energy: -113.413 flat angles C4'-P-C4' energy: -120.183 flat angles P-C4'-P energy: -67.191 tors. eta vs tors. theta energy: -124.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1493.525876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.525876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.525876 (E_RNA) where: Base-Base interactions energy: -976.200 where: short stacking energy: -452.713 Base-Backbone interact. energy: -1.517 local terms energy: -515.808531 where: bonds (distance) C4'-P energy: -99.151 bonds (distance) P-C4' energy: -96.219 flat angles C4'-P-C4' energy: -129.321 flat angles P-C4'-P energy: -62.947 tors. eta vs tors. theta energy: -128.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1383.629172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.629172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.629172 (E_RNA) where: Base-Base interactions energy: -897.776 where: short stacking energy: -407.820 Base-Backbone interact. energy: 1.159 local terms energy: -487.011745 where: bonds (distance) C4'-P energy: -90.148 bonds (distance) P-C4' energy: -98.784 flat angles C4'-P-C4' energy: -108.776 flat angles P-C4'-P energy: -83.024 tors. eta vs tors. theta energy: -106.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1124.436175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.436175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.436175 (E_RNA) where: Base-Base interactions energy: -695.860 where: short stacking energy: -305.386 Base-Backbone interact. energy: -2.449 local terms energy: -426.126951 where: bonds (distance) C4'-P energy: -100.815 bonds (distance) P-C4' energy: -101.642 flat angles C4'-P-C4' energy: -100.028 flat angles P-C4'-P energy: -64.097 tors. eta vs tors. theta energy: -59.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -744.587311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.587311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.587311 (E_RNA) where: Base-Base interactions energy: -414.181 where: short stacking energy: -226.893 Base-Backbone interact. energy: -2.967 local terms energy: -327.439831 where: bonds (distance) C4'-P energy: -77.639 bonds (distance) P-C4' energy: -87.418 flat angles C4'-P-C4' energy: -77.061 flat angles P-C4'-P energy: -46.163 tors. eta vs tors. theta energy: -39.158 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: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -450.432098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.432098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.432098 (E_RNA) where: Base-Base interactions energy: -142.253 where: short stacking energy: -105.730 Base-Backbone interact. energy: -2.091 local terms energy: -306.088310 where: bonds (distance) C4'-P energy: -111.269 bonds (distance) P-C4' energy: -107.059 flat angles C4'-P-C4' energy: -72.056 flat angles P-C4'-P energy: -36.531 tors. eta vs tors. theta energy: 20.826 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: 9 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -437.046593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.046593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.046593 (E_RNA) where: Base-Base interactions energy: -175.966 where: short stacking energy: -115.747 Base-Backbone interact. energy: 2.770 local terms energy: -263.849636 where: bonds (distance) C4'-P energy: -62.994 bonds (distance) P-C4' energy: -99.014 flat angles C4'-P-C4' energy: -78.308 flat angles P-C4'-P energy: -38.552 tors. eta vs tors. theta energy: 15.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1873.933026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.933026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.933026 (E_RNA) where: Base-Base interactions energy: -1259.676 where: short stacking energy: -551.164 Base-Backbone interact. energy: -0.822 local terms energy: -613.435199 where: bonds (distance) C4'-P energy: -104.537 bonds (distance) P-C4' energy: -118.084 flat angles C4'-P-C4' energy: -130.256 flat angles P-C4'-P energy: -87.564 tors. eta vs tors. theta energy: -172.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1807.571468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.571468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.571468 (E_RNA) where: Base-Base interactions energy: -1233.035 where: short stacking energy: -500.194 Base-Backbone interact. energy: -0.866 local terms energy: -573.670654 where: bonds (distance) C4'-P energy: -126.511 bonds (distance) P-C4' energy: -100.198 flat angles C4'-P-C4' energy: -122.108 flat angles P-C4'-P energy: -77.674 tors. eta vs tors. theta energy: -147.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1677.150357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.150357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.150357 (E_RNA) where: Base-Base interactions energy: -1144.279 where: short stacking energy: -454.150 Base-Backbone interact. energy: -1.703 local terms energy: -531.168542 where: bonds (distance) C4'-P energy: -108.100 bonds (distance) P-C4' energy: -102.031 flat angles C4'-P-C4' energy: -123.293 flat angles P-C4'-P energy: -69.430 tors. eta vs tors. theta energy: -128.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1560.358868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.358868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.358868 (E_RNA) where: Base-Base interactions energy: -1063.196 where: short stacking energy: -437.779 Base-Backbone interact. energy: -1.297 local terms energy: -495.865191 where: bonds (distance) C4'-P energy: -97.991 bonds (distance) P-C4' energy: -107.776 flat angles C4'-P-C4' energy: -112.249 flat angles P-C4'-P energy: -68.918 tors. eta vs tors. theta energy: -108.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1451.890621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.890621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.890621 (E_RNA) where: Base-Base interactions energy: -961.502 where: short stacking energy: -409.905 Base-Backbone interact. energy: 4.685 local terms energy: -495.073766 where: bonds (distance) C4'-P energy: -103.510 bonds (distance) P-C4' energy: -107.871 flat angles C4'-P-C4' energy: -102.234 flat angles P-C4'-P energy: -66.224 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: 278 Temperature: 1.150000 Total energy: -1324.962801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.962801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.962801 (E_RNA) where: Base-Base interactions energy: -842.999 where: short stacking energy: -386.369 Base-Backbone interact. energy: -1.306 local terms energy: -480.657621 where: bonds (distance) C4'-P energy: -101.357 bonds (distance) P-C4' energy: -107.643 flat angles C4'-P-C4' energy: -100.615 flat angles P-C4'-P energy: -55.795 tors. eta vs tors. theta energy: -115.247 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: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1054.523406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.523406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.523406 (E_RNA) where: Base-Base interactions energy: -620.878 where: short stacking energy: -285.603 Base-Backbone interact. energy: 2.370 local terms energy: -436.015520 where: bonds (distance) C4'-P energy: -98.482 bonds (distance) P-C4' energy: -106.632 flat angles C4'-P-C4' energy: -103.696 flat angles P-C4'-P energy: -65.121 tors. eta vs tors. theta energy: -62.084 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: 278 Temperature: 1.250000 Total energy: -762.804114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.804114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.804114 (E_RNA) where: Base-Base interactions energy: -416.466 where: short stacking energy: -213.980 Base-Backbone interact. energy: 6.689 local terms energy: -353.027458 where: bonds (distance) C4'-P energy: -93.413 bonds (distance) P-C4' energy: -82.260 flat angles C4'-P-C4' energy: -90.250 flat angles P-C4'-P energy: -61.394 tors. eta vs tors. theta energy: -25.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -460.936170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.936170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.936170 (E_RNA) where: Base-Base interactions energy: -173.221 where: short stacking energy: -150.500 Base-Backbone interact. energy: -2.511 local terms energy: -285.203624 where: bonds (distance) C4'-P energy: -87.542 bonds (distance) P-C4' energy: -93.114 flat angles C4'-P-C4' energy: -73.781 flat angles P-C4'-P energy: -40.622 tors. eta vs tors. theta energy: 9.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -447.505826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.505826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.505826 (E_RNA) where: Base-Base interactions energy: -173.095 where: short stacking energy: -133.364 Base-Backbone interact. energy: 0.774 local terms energy: -275.184585 where: bonds (distance) C4'-P energy: -101.287 bonds (distance) P-C4' energy: -89.886 flat angles C4'-P-C4' energy: -66.950 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: 25.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1876.909882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.909882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.909882 (E_RNA) where: Base-Base interactions energy: -1250.532 where: short stacking energy: -583.187 Base-Backbone interact. energy: 0.572 local terms energy: -626.949465 where: bonds (distance) C4'-P energy: -111.499 bonds (distance) P-C4' energy: -117.656 flat angles C4'-P-C4' energy: -131.229 flat angles P-C4'-P energy: -86.619 tors. eta vs tors. theta energy: -179.946 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: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1795.408366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.408366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.408366 (E_RNA) where: Base-Base interactions energy: -1231.454 where: short stacking energy: -481.109 Base-Backbone interact. energy: -3.300 local terms energy: -560.654028 where: bonds (distance) C4'-P energy: -105.980 bonds (distance) P-C4' energy: -107.530 flat angles C4'-P-C4' energy: -123.007 flat angles P-C4'-P energy: -74.750 tors. eta vs tors. theta energy: -149.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1649.721404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.721404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.721404 (E_RNA) where: Base-Base interactions energy: -1126.171 where: short stacking energy: -470.975 Base-Backbone interact. energy: -0.663 local terms energy: -522.887478 where: bonds (distance) C4'-P energy: -90.961 bonds (distance) P-C4' energy: -106.604 flat angles C4'-P-C4' energy: -116.157 flat angles P-C4'-P energy: -84.517 tors. eta vs tors. theta energy: -124.647 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: 4, replica: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1569.188452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.188452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.188452 (E_RNA) where: Base-Base interactions energy: -1058.439 where: short stacking energy: -475.954 Base-Backbone interact. energy: 0.737 local terms energy: -511.485693 where: bonds (distance) C4'-P energy: -83.815 bonds (distance) P-C4' energy: -111.557 flat angles C4'-P-C4' energy: -108.523 flat angles P-C4'-P energy: -70.150 tors. eta vs tors. theta energy: -137.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1461.296213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.296213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.296213 (E_RNA) where: Base-Base interactions energy: -951.857 where: short stacking energy: -442.547 Base-Backbone interact. energy: -1.869 local terms energy: -507.570852 where: bonds (distance) C4'-P energy: -89.337 bonds (distance) P-C4' energy: -106.417 flat angles C4'-P-C4' energy: -115.898 flat angles P-C4'-P energy: -51.174 tors. eta vs tors. theta energy: -144.744 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: 5 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1355.782574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.782574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.782574 (E_RNA) where: Base-Base interactions energy: -888.174 where: short stacking energy: -387.138 Base-Backbone interact. energy: -1.076 local terms energy: -466.533410 where: bonds (distance) C4'-P energy: -104.013 bonds (distance) P-C4' energy: -99.777 flat angles C4'-P-C4' energy: -104.823 flat angles P-C4'-P energy: -58.209 tors. eta vs tors. theta energy: -99.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1143.337599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.337599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.337599 (E_RNA) where: Base-Base interactions energy: -713.302 where: short stacking energy: -310.432 Base-Backbone interact. energy: 0.500 local terms energy: -430.536157 where: bonds (distance) C4'-P energy: -92.750 bonds (distance) P-C4' energy: -112.186 flat angles C4'-P-C4' energy: -84.554 flat angles P-C4'-P energy: -66.490 tors. eta vs tors. theta energy: -74.557 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: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -709.349066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.349066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.349066 (E_RNA) where: Base-Base interactions energy: -339.770 where: short stacking energy: -197.246 Base-Backbone interact. energy: -2.418 local terms energy: -367.161482 where: bonds (distance) C4'-P energy: -71.010 bonds (distance) P-C4' energy: -104.409 flat angles C4'-P-C4' energy: -97.890 flat angles P-C4'-P energy: -66.580 tors. eta vs tors. theta energy: -27.273 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: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -463.525545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.525545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.525545 (E_RNA) where: Base-Base interactions energy: -138.666 where: short stacking energy: -125.496 Base-Backbone interact. energy: 0.714 local terms energy: -325.573861 where: bonds (distance) C4'-P energy: -81.305 bonds (distance) P-C4' energy: -103.688 flat angles C4'-P-C4' energy: -79.270 flat angles P-C4'-P energy: -58.911 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -442.966409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.966409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.966409 (E_RNA) where: Base-Base interactions energy: -160.623 where: short stacking energy: -104.423 Base-Backbone interact. energy: 1.296 local terms energy: -283.639417 where: bonds (distance) C4'-P energy: -83.738 bonds (distance) P-C4' energy: -103.460 flat angles C4'-P-C4' energy: -61.305 flat angles P-C4'-P energy: -51.004 tors. eta vs tors. theta energy: 15.868 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: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1894.704252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.704252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.704252 (E_RNA) where: Base-Base interactions energy: -1284.512 where: short stacking energy: -571.897 Base-Backbone interact. energy: -0.654 local terms energy: -609.538075 where: bonds (distance) C4'-P energy: -112.205 bonds (distance) P-C4' energy: -106.578 flat angles C4'-P-C4' energy: -126.910 flat angles P-C4'-P energy: -83.361 tors. eta vs tors. theta energy: -180.484 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: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1749.208333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.208333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.208333 (E_RNA) where: Base-Base interactions energy: -1186.190 where: short stacking energy: -474.707 Base-Backbone interact. energy: -1.484 local terms energy: -561.534803 where: bonds (distance) C4'-P energy: -114.897 bonds (distance) P-C4' energy: -111.448 flat angles C4'-P-C4' energy: -119.775 flat angles P-C4'-P energy: -85.215 tors. eta vs tors. theta energy: -130.199 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: 280 Temperature: 1.000000 Total energy: -1626.608285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.608285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.608285 (E_RNA) where: Base-Base interactions energy: -1098.122 where: short stacking energy: -438.702 Base-Backbone interact. energy: -1.695 local terms energy: -526.791264 where: bonds (distance) C4'-P energy: -98.620 bonds (distance) P-C4' energy: -107.944 flat angles C4'-P-C4' energy: -116.124 flat angles P-C4'-P energy: -79.598 tors. eta vs tors. theta energy: -124.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1568.962363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.962363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.962363 (E_RNA) where: Base-Base interactions energy: -1077.164 where: short stacking energy: -482.076 Base-Backbone interact. energy: -1.879 local terms energy: -489.919944 where: bonds (distance) C4'-P energy: -93.002 bonds (distance) P-C4' energy: -96.512 flat angles C4'-P-C4' energy: -107.848 flat angles P-C4'-P energy: -72.121 tors. eta vs tors. theta energy: -120.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1523.394947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.394947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.394947 (E_RNA) where: Base-Base interactions energy: -987.546 where: short stacking energy: -458.296 Base-Backbone interact. energy: 0.416 local terms energy: -536.265053 where: bonds (distance) C4'-P energy: -103.430 bonds (distance) P-C4' energy: -106.450 flat angles C4'-P-C4' energy: -124.523 flat angles P-C4'-P energy: -66.648 tors. eta vs tors. theta energy: -135.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1366.009976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.009976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.009976 (E_RNA) where: Base-Base interactions energy: -889.220 where: short stacking energy: -383.911 Base-Backbone interact. energy: -0.931 local terms energy: -475.859411 where: bonds (distance) C4'-P energy: -105.093 bonds (distance) P-C4' energy: -90.094 flat angles C4'-P-C4' energy: -104.246 flat angles P-C4'-P energy: -58.561 tors. eta vs tors. theta energy: -117.866 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: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1121.167593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.167593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.167593 (E_RNA) where: Base-Base interactions energy: -716.422 where: short stacking energy: -324.952 Base-Backbone interact. energy: 0.416 local terms energy: -405.162167 where: bonds (distance) C4'-P energy: -66.793 bonds (distance) P-C4' energy: -95.065 flat angles C4'-P-C4' energy: -101.178 flat angles P-C4'-P energy: -60.330 tors. eta vs tors. theta energy: -81.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -700.104840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.104840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.104840 (E_RNA) where: Base-Base interactions energy: -331.533 where: short stacking energy: -185.994 Base-Backbone interact. energy: 1.494 local terms energy: -370.065821 where: bonds (distance) C4'-P energy: -96.439 bonds (distance) P-C4' energy: -101.478 flat angles C4'-P-C4' energy: -87.581 flat angles P-C4'-P energy: -68.360 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: 9, replica: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -484.175964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.175964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.175964 (E_RNA) where: Base-Base interactions energy: -166.249 where: short stacking energy: -132.332 Base-Backbone interact. energy: 2.183 local terms energy: -320.109789 where: bonds (distance) C4'-P energy: -86.364 bonds (distance) P-C4' energy: -104.704 flat angles C4'-P-C4' energy: -68.849 flat angles P-C4'-P energy: -61.045 tors. eta vs tors. theta energy: 0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -440.590738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.590738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.590738 (E_RNA) where: Base-Base interactions energy: -171.678 where: short stacking energy: -141.680 Base-Backbone interact. energy: 4.877 local terms energy: -273.788966 where: bonds (distance) C4'-P energy: -89.388 bonds (distance) P-C4' energy: -81.457 flat angles C4'-P-C4' energy: -81.481 flat angles P-C4'-P energy: -41.766 tors. eta vs tors. theta energy: 20.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1900.301677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.301677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.301677 (E_RNA) where: Base-Base interactions energy: -1308.661 where: short stacking energy: -588.108 Base-Backbone interact. energy: -1.699 local terms energy: -589.941664 where: bonds (distance) C4'-P energy: -106.246 bonds (distance) P-C4' energy: -107.702 flat angles C4'-P-C4' energy: -116.051 flat angles P-C4'-P energy: -82.026 tors. eta vs tors. theta energy: -177.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1730.136430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.136430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.136430 (E_RNA) where: Base-Base interactions energy: -1177.207 where: short stacking energy: -511.599 Base-Backbone interact. energy: -0.822 local terms energy: -552.107468 where: bonds (distance) C4'-P energy: -110.014 bonds (distance) P-C4' energy: -108.337 flat angles C4'-P-C4' energy: -115.127 flat angles P-C4'-P energy: -73.377 tors. eta vs tors. theta energy: -145.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1640.578948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.578948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.578948 (E_RNA) where: Base-Base interactions energy: -1095.832 where: short stacking energy: -475.931 Base-Backbone interact. energy: -2.109 local terms energy: -542.638014 where: bonds (distance) C4'-P energy: -109.218 bonds (distance) P-C4' energy: -109.628 flat angles C4'-P-C4' energy: -104.036 flat angles P-C4'-P energy: -74.051 tors. eta vs tors. theta energy: -145.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1580.844582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.844582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.844582 (E_RNA) where: Base-Base interactions energy: -1042.760 where: short stacking energy: -487.814 Base-Backbone interact. energy: 4.322 local terms energy: -542.405983 where: bonds (distance) C4'-P energy: -112.270 bonds (distance) P-C4' energy: -101.205 flat angles C4'-P-C4' energy: -110.573 flat angles P-C4'-P energy: -64.676 tors. eta vs tors. theta energy: -153.681 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: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1541.697117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.697117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.697117 (E_RNA) where: Base-Base interactions energy: -1058.265 where: short stacking energy: -452.604 Base-Backbone interact. energy: 8.304 local terms energy: -491.735938 where: bonds (distance) C4'-P energy: -96.848 bonds (distance) P-C4' energy: -101.272 flat angles C4'-P-C4' energy: -96.181 flat angles P-C4'-P energy: -70.689 tors. eta vs tors. theta energy: -126.746 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: 6, replica: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1306.498606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.498606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.498606 (E_RNA) where: Base-Base interactions energy: -832.376 where: short stacking energy: -379.626 Base-Backbone interact. energy: -1.008 local terms energy: -473.114608 where: bonds (distance) C4'-P energy: -85.875 bonds (distance) P-C4' energy: -118.945 flat angles C4'-P-C4' energy: -107.525 flat angles P-C4'-P energy: -57.429 tors. eta vs tors. theta energy: -103.341 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: 7, replica: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1084.502674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.502674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.502674 (E_RNA) where: Base-Base interactions energy: -678.795 where: short stacking energy: -293.484 Base-Backbone interact. energy: -3.704 local terms energy: -402.003540 where: bonds (distance) C4'-P energy: -100.241 bonds (distance) P-C4' energy: -95.109 flat angles C4'-P-C4' energy: -93.129 flat angles P-C4'-P energy: -52.859 tors. eta vs tors. theta energy: -60.665 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: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -693.456448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.456448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.456448 (E_RNA) where: Base-Base interactions energy: -349.149 where: short stacking energy: -221.874 Base-Backbone interact. energy: -2.977 local terms energy: -341.330587 where: bonds (distance) C4'-P energy: -92.948 bonds (distance) P-C4' energy: -98.083 flat angles C4'-P-C4' energy: -78.653 flat angles P-C4'-P energy: -47.054 tors. eta vs tors. theta energy: -24.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -534.615721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.615721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.615721 (E_RNA) where: Base-Base interactions energy: -206.692 where: short stacking energy: -142.723 Base-Backbone interact. energy: -0.796 local terms energy: -327.127672 where: bonds (distance) C4'-P energy: -87.135 bonds (distance) P-C4' energy: -77.469 flat angles C4'-P-C4' energy: -88.794 flat angles P-C4'-P energy: -54.047 tors. eta vs tors. theta energy: -19.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -403.254219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.254219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.254219 (E_RNA) where: Base-Base interactions energy: -154.657 where: short stacking energy: -120.606 Base-Backbone interact. energy: -0.466 local terms energy: -248.131349 where: bonds (distance) C4'-P energy: -80.683 bonds (distance) P-C4' energy: -72.620 flat angles C4'-P-C4' energy: -76.199 flat angles P-C4'-P energy: -40.368 tors. eta vs tors. theta energy: 21.739 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: 1, replica: 7 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1877.200232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.200232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.200232 (E_RNA) where: Base-Base interactions energy: -1263.618 where: short stacking energy: -579.533 Base-Backbone interact. energy: -2.363 local terms energy: -611.218680 where: bonds (distance) C4'-P energy: -113.465 bonds (distance) P-C4' energy: -103.326 flat angles C4'-P-C4' energy: -129.377 flat angles P-C4'-P energy: -91.042 tors. eta vs tors. theta energy: -174.008 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: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1743.328582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.328582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.328582 (E_RNA) where: Base-Base interactions energy: -1204.355 where: short stacking energy: -489.549 Base-Backbone interact. energy: -1.649 local terms energy: -537.323791 where: bonds (distance) C4'-P energy: -102.545 bonds (distance) P-C4' energy: -110.965 flat angles C4'-P-C4' energy: -112.317 flat angles P-C4'-P energy: -77.036 tors. eta vs tors. theta energy: -134.460 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: 2 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1679.229458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.229458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.229458 (E_RNA) where: Base-Base interactions energy: -1118.047 where: short stacking energy: -461.660 Base-Backbone interact. energy: -1.530 local terms energy: -559.652682 where: bonds (distance) C4'-P energy: -103.605 bonds (distance) P-C4' energy: -109.878 flat angles C4'-P-C4' energy: -130.097 flat angles P-C4'-P energy: -72.794 tors. eta vs tors. theta energy: -143.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1565.741665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.741665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.741665 (E_RNA) where: Base-Base interactions energy: -1022.495 where: short stacking energy: -439.473 Base-Backbone interact. energy: -4.618 local terms energy: -538.628439 where: bonds (distance) C4'-P energy: -99.871 bonds (distance) P-C4' energy: -108.995 flat angles C4'-P-C4' energy: -124.017 flat angles P-C4'-P energy: -66.275 tors. eta vs tors. theta energy: -139.471 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: 6 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1481.279467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.279467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.279467 (E_RNA) where: Base-Base interactions energy: -1002.280 where: short stacking energy: -443.051 Base-Backbone interact. energy: -1.511 local terms energy: -477.488297 where: bonds (distance) C4'-P energy: -84.318 bonds (distance) P-C4' energy: -98.275 flat angles C4'-P-C4' energy: -108.162 flat angles P-C4'-P energy: -69.024 tors. eta vs tors. theta energy: -117.708 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: 282 Temperature: 1.150000 Total energy: -1310.722590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.722590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.722590 (E_RNA) where: Base-Base interactions energy: -844.827 where: short stacking energy: -370.877 Base-Backbone interact. energy: 1.566 local terms energy: -467.461994 where: bonds (distance) C4'-P energy: -105.559 bonds (distance) P-C4' energy: -103.574 flat angles C4'-P-C4' energy: -98.753 flat angles P-C4'-P energy: -70.340 tors. eta vs tors. theta energy: -89.236 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: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1090.336131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.336131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.336131 (E_RNA) where: Base-Base interactions energy: -693.374 where: short stacking energy: -312.909 Base-Backbone interact. energy: 0.912 local terms energy: -397.873590 where: bonds (distance) C4'-P energy: -87.554 bonds (distance) P-C4' energy: -98.640 flat angles C4'-P-C4' energy: -100.048 flat angles P-C4'-P energy: -49.986 tors. eta vs tors. theta energy: -61.646 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: 282 Temperature: 1.250000 Total energy: -657.694405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.694405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.694405 (E_RNA) where: Base-Base interactions energy: -318.728 where: short stacking energy: -180.957 Base-Backbone interact. energy: -1.432 local terms energy: -337.535035 where: bonds (distance) C4'-P energy: -95.014 bonds (distance) P-C4' energy: -94.637 flat angles C4'-P-C4' energy: -82.219 flat angles P-C4'-P energy: -57.790 tors. eta vs tors. theta energy: -7.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -484.862864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.862864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.862864 (E_RNA) where: Base-Base interactions energy: -173.875 where: short stacking energy: -154.000 Base-Backbone interact. energy: -0.699 local terms energy: -310.288847 where: bonds (distance) C4'-P energy: -93.388 bonds (distance) P-C4' energy: -97.266 flat angles C4'-P-C4' energy: -72.844 flat angles P-C4'-P energy: -53.166 tors. eta vs tors. theta energy: 6.376 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: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -464.819810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.819810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.819810 (E_RNA) where: Base-Base interactions energy: -185.021 where: short stacking energy: -139.689 Base-Backbone interact. energy: -1.106 local terms energy: -278.692712 where: bonds (distance) C4'-P energy: -67.918 bonds (distance) P-C4' energy: -99.439 flat angles C4'-P-C4' energy: -82.398 flat angles P-C4'-P energy: -46.737 tors. eta vs tors. theta energy: 17.799 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: 283 Temperature: 0.900000 Total energy: -1883.480341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.480341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.480341 (E_RNA) where: Base-Base interactions energy: -1269.841 where: short stacking energy: -555.363 Base-Backbone interact. energy: -2.986 local terms energy: -610.653391 where: bonds (distance) C4'-P energy: -112.907 bonds (distance) P-C4' energy: -122.448 flat angles C4'-P-C4' energy: -125.661 flat angles P-C4'-P energy: -76.270 tors. eta vs tors. theta energy: -173.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1764.157017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.157017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.157017 (E_RNA) where: Base-Base interactions energy: -1200.584 where: short stacking energy: -485.806 Base-Backbone interact. energy: 1.272 local terms energy: -564.845536 where: bonds (distance) C4'-P energy: -108.393 bonds (distance) P-C4' energy: -103.134 flat angles C4'-P-C4' energy: -128.518 flat angles P-C4'-P energy: -83.364 tors. eta vs tors. theta energy: -141.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1655.387108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.387108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.387108 (E_RNA) where: Base-Base interactions energy: -1127.507 where: short stacking energy: -489.707 Base-Backbone interact. energy: -2.363 local terms energy: -525.517027 where: bonds (distance) C4'-P energy: -89.933 bonds (distance) P-C4' energy: -105.144 flat angles C4'-P-C4' energy: -114.961 flat angles P-C4'-P energy: -65.107 tors. eta vs tors. theta energy: -150.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1585.331827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.331827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.331827 (E_RNA) where: Base-Base interactions energy: -1072.579 where: short stacking energy: -467.823 Base-Backbone interact. energy: -4.584 local terms energy: -508.168865 where: bonds (distance) C4'-P energy: -104.044 bonds (distance) P-C4' energy: -99.474 flat angles C4'-P-C4' energy: -121.347 flat angles P-C4'-P energy: -54.947 tors. eta vs tors. theta energy: -128.357 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: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1554.353035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.353035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.353035 (E_RNA) where: Base-Base interactions energy: -1022.795 where: short stacking energy: -457.373 Base-Backbone interact. energy: -0.045 local terms energy: -531.512525 where: bonds (distance) C4'-P energy: -95.453 bonds (distance) P-C4' energy: -112.440 flat angles C4'-P-C4' energy: -116.474 flat angles P-C4'-P energy: -76.363 tors. eta vs tors. theta energy: -130.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1291.135918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.135918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.135918 (E_RNA) where: Base-Base interactions energy: -848.097 where: short stacking energy: -358.074 Base-Backbone interact. energy: -1.060 local terms energy: -441.978853 where: bonds (distance) C4'-P energy: -103.323 bonds (distance) P-C4' energy: -84.227 flat angles C4'-P-C4' energy: -104.125 flat angles P-C4'-P energy: -57.996 tors. eta vs tors. theta energy: -92.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1071.268735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.268735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.268735 (E_RNA) where: Base-Base interactions energy: -658.961 where: short stacking energy: -278.420 Base-Backbone interact. energy: -3.957 local terms energy: -408.350102 where: bonds (distance) C4'-P energy: -97.109 bonds (distance) P-C4' energy: -99.346 flat angles C4'-P-C4' energy: -97.096 flat angles P-C4'-P energy: -58.102 tors. eta vs tors. theta energy: -56.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -645.619096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.619096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.619096 (E_RNA) where: Base-Base interactions energy: -304.711 where: short stacking energy: -189.223 Base-Backbone interact. energy: -0.014 local terms energy: -340.893584 where: bonds (distance) C4'-P energy: -104.178 bonds (distance) P-C4' energy: -89.377 flat angles C4'-P-C4' energy: -78.281 flat angles P-C4'-P energy: -58.184 tors. eta vs tors. theta energy: -10.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -505.512120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.512120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.512120 (E_RNA) where: Base-Base interactions energy: -215.973 where: short stacking energy: -137.651 Base-Backbone interact. energy: 0.840 local terms energy: -290.378739 where: bonds (distance) C4'-P energy: -79.138 bonds (distance) P-C4' energy: -104.250 flat angles C4'-P-C4' energy: -92.404 flat angles P-C4'-P energy: -36.918 tors. eta vs tors. theta energy: 22.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -404.946424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.946424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.946424 (E_RNA) where: Base-Base interactions energy: -149.764 where: short stacking energy: -124.135 Base-Backbone interact. energy: 6.706 local terms energy: -261.888929 where: bonds (distance) C4'-P energy: -75.387 bonds (distance) P-C4' energy: -84.613 flat angles C4'-P-C4' energy: -84.817 flat angles P-C4'-P energy: -35.058 tors. eta vs tors. theta energy: 17.988 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: 284 Temperature: 0.900000 Total energy: -1889.546193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.546193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.546193 (E_RNA) where: Base-Base interactions energy: -1279.134 where: short stacking energy: -537.503 Base-Backbone interact. energy: -0.046 local terms energy: -610.366069 where: bonds (distance) C4'-P energy: -118.660 bonds (distance) P-C4' energy: -116.551 flat angles C4'-P-C4' energy: -131.013 flat angles P-C4'-P energy: -77.235 tors. eta vs tors. theta energy: -166.906 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: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1783.877761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.877761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.877761 (E_RNA) where: Base-Base interactions energy: -1212.631 where: short stacking energy: -495.739 Base-Backbone interact. energy: 1.341 local terms energy: -572.588465 where: bonds (distance) C4'-P energy: -105.116 bonds (distance) P-C4' energy: -119.739 flat angles C4'-P-C4' energy: -120.766 flat angles P-C4'-P energy: -84.754 tors. eta vs tors. theta energy: -142.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1703.749642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.749642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.749642 (E_RNA) where: Base-Base interactions energy: -1166.968 where: short stacking energy: -480.706 Base-Backbone interact. energy: 0.478 local terms energy: -537.259198 where: bonds (distance) C4'-P energy: -95.645 bonds (distance) P-C4' energy: -106.100 flat angles C4'-P-C4' energy: -130.853 flat angles P-C4'-P energy: -65.069 tors. eta vs tors. theta energy: -139.592 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: 6 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1557.226382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.226382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.226382 (E_RNA) where: Base-Base interactions energy: -1029.339 where: short stacking energy: -466.275 Base-Backbone interact. energy: -1.014 local terms energy: -526.872876 where: bonds (distance) C4'-P energy: -111.225 bonds (distance) P-C4' energy: -101.610 flat angles C4'-P-C4' energy: -117.635 flat angles P-C4'-P energy: -68.653 tors. eta vs tors. theta energy: -127.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1502.000230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.000230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.000230 (E_RNA) where: Base-Base interactions energy: -1000.157 where: short stacking energy: -444.141 Base-Backbone interact. energy: -1.494 local terms energy: -500.348878 where: bonds (distance) C4'-P energy: -91.852 bonds (distance) P-C4' energy: -100.796 flat angles C4'-P-C4' energy: -114.452 flat angles P-C4'-P energy: -61.350 tors. eta vs tors. theta energy: -131.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1300.398322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.398322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.398322 (E_RNA) where: Base-Base interactions energy: -834.503 where: short stacking energy: -378.474 Base-Backbone interact. energy: -0.373 local terms energy: -465.522834 where: bonds (distance) C4'-P energy: -91.633 bonds (distance) P-C4' energy: -99.256 flat angles C4'-P-C4' energy: -103.710 flat angles P-C4'-P energy: -66.705 tors. eta vs tors. theta energy: -104.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1109.366648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.366648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.366648 (E_RNA) where: Base-Base interactions energy: -661.977 where: short stacking energy: -312.314 Base-Backbone interact. energy: 1.632 local terms energy: -449.021270 where: bonds (distance) C4'-P energy: -117.059 bonds (distance) P-C4' energy: -109.103 flat angles C4'-P-C4' energy: -97.104 flat angles P-C4'-P energy: -59.205 tors. eta vs tors. theta energy: -66.551 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: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -640.053953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.053953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.053953 (E_RNA) where: Base-Base interactions energy: -310.586 where: short stacking energy: -181.852 Base-Backbone interact. energy: 3.815 local terms energy: -333.283097 where: bonds (distance) C4'-P energy: -104.930 bonds (distance) P-C4' energy: -87.200 flat angles C4'-P-C4' energy: -81.192 flat angles P-C4'-P energy: -48.564 tors. eta vs tors. theta energy: -11.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -444.518387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.518387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.518387 (E_RNA) where: Base-Base interactions energy: -181.006 where: short stacking energy: -119.554 Base-Backbone interact. energy: 1.159 local terms energy: -264.671774 where: bonds (distance) C4'-P energy: -94.089 bonds (distance) P-C4' energy: -93.699 flat angles C4'-P-C4' energy: -64.839 flat angles P-C4'-P energy: -40.539 tors. eta vs tors. theta energy: 28.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -430.914303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.914303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.914303 (E_RNA) where: Base-Base interactions energy: -144.798 where: short stacking energy: -111.156 Base-Backbone interact. energy: 0.888 local terms energy: -287.003620 where: bonds (distance) C4'-P energy: -90.108 bonds (distance) P-C4' energy: -101.869 flat angles C4'-P-C4' energy: -65.690 flat angles P-C4'-P energy: -44.264 tors. eta vs tors. theta energy: 14.928 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: 1, replica: 7 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1857.102603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.102603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.102603 (E_RNA) where: Base-Base interactions energy: -1237.627 where: short stacking energy: -548.956 Base-Backbone interact. energy: 0.248 local terms energy: -619.723555 where: bonds (distance) C4'-P energy: -115.086 bonds (distance) P-C4' energy: -117.358 flat angles C4'-P-C4' energy: -125.917 flat angles P-C4'-P energy: -96.050 tors. eta vs tors. theta energy: -165.313 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: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1754.424366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.424366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.424366 (E_RNA) where: Base-Base interactions energy: -1216.192 where: short stacking energy: -506.145 Base-Backbone interact. energy: -1.529 local terms energy: -536.702706 where: bonds (distance) C4'-P energy: -101.698 bonds (distance) P-C4' energy: -99.540 flat angles C4'-P-C4' energy: -131.721 flat angles P-C4'-P energy: -65.515 tors. eta vs tors. theta energy: -138.228 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: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1688.487011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.487011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.487011 (E_RNA) where: Base-Base interactions energy: -1150.373 where: short stacking energy: -497.752 Base-Backbone interact. energy: -1.446 local terms energy: -536.667690 where: bonds (distance) C4'-P energy: -100.575 bonds (distance) P-C4' energy: -94.695 flat angles C4'-P-C4' energy: -125.381 flat angles P-C4'-P energy: -73.814 tors. eta vs tors. theta energy: -142.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1577.735942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.735942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.735942 (E_RNA) where: Base-Base interactions energy: -1052.718 where: short stacking energy: -463.770 Base-Backbone interact. energy: -5.659 local terms energy: -519.359582 where: bonds (distance) C4'-P energy: -107.725 bonds (distance) P-C4' energy: -112.871 flat angles C4'-P-C4' energy: -110.163 flat angles P-C4'-P energy: -75.330 tors. eta vs tors. theta energy: -113.271 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: 1 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1509.889771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.889771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.889771 (E_RNA) where: Base-Base interactions energy: -997.401 where: short stacking energy: -440.032 Base-Backbone interact. energy: -3.296 local terms energy: -509.193329 where: bonds (distance) C4'-P energy: -94.260 bonds (distance) P-C4' energy: -89.309 flat angles C4'-P-C4' energy: -113.473 flat angles P-C4'-P energy: -70.443 tors. eta vs tors. theta energy: -141.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1304.376003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.376003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.376003 (E_RNA) where: Base-Base interactions energy: -848.562 where: short stacking energy: -398.510 Base-Backbone interact. energy: -1.141 local terms energy: -454.673096 where: bonds (distance) C4'-P energy: -91.059 bonds (distance) P-C4' energy: -101.201 flat angles C4'-P-C4' energy: -94.607 flat angles P-C4'-P energy: -65.062 tors. eta vs tors. theta energy: -102.745 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: 285 Temperature: 1.200000 Total energy: -1057.644039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.644039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.644039 (E_RNA) where: Base-Base interactions energy: -667.138 where: short stacking energy: -309.260 Base-Backbone interact. energy: 0.987 local terms energy: -391.493528 where: bonds (distance) C4'-P energy: -92.174 bonds (distance) P-C4' energy: -87.755 flat angles C4'-P-C4' energy: -94.693 flat angles P-C4'-P energy: -51.004 tors. eta vs tors. theta energy: -65.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -630.237074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.237074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.237074 (E_RNA) where: Base-Base interactions energy: -295.169 where: short stacking energy: -196.396 Base-Backbone interact. energy: -3.229 local terms energy: -331.839271 where: bonds (distance) C4'-P energy: -96.657 bonds (distance) P-C4' energy: -85.135 flat angles C4'-P-C4' energy: -79.514 flat angles P-C4'-P energy: -60.431 tors. eta vs tors. theta energy: -10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -464.656323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.656323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.656323 (E_RNA) where: Base-Base interactions energy: -142.320 where: short stacking energy: -111.955 Base-Backbone interact. energy: -2.310 local terms energy: -320.026212 where: bonds (distance) C4'-P energy: -97.703 bonds (distance) P-C4' energy: -90.848 flat angles C4'-P-C4' energy: -91.824 flat angles P-C4'-P energy: -50.344 tors. eta vs tors. theta energy: 10.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -412.789622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.789622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.789622 (E_RNA) where: Base-Base interactions energy: -123.397 where: short stacking energy: -99.825 Base-Backbone interact. energy: -0.779 local terms energy: -288.613380 where: bonds (distance) C4'-P energy: -85.704 bonds (distance) P-C4' energy: -93.672 flat angles C4'-P-C4' energy: -73.417 flat angles P-C4'-P energy: -49.485 tors. eta vs tors. theta energy: 13.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1838.550545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.550545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.550545 (E_RNA) where: Base-Base interactions energy: -1259.828 where: short stacking energy: -557.083 Base-Backbone interact. energy: 0.656 local terms energy: -579.379015 where: bonds (distance) C4'-P energy: -89.592 bonds (distance) P-C4' energy: -121.910 flat angles C4'-P-C4' energy: -125.224 flat angles P-C4'-P energy: -77.863 tors. eta vs tors. theta energy: -164.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1787.750263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.750263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.750263 (E_RNA) where: Base-Base interactions energy: -1203.180 where: short stacking energy: -499.576 Base-Backbone interact. energy: -2.212 local terms energy: -582.357760 where: bonds (distance) C4'-P energy: -115.761 bonds (distance) P-C4' energy: -111.037 flat angles C4'-P-C4' energy: -130.830 flat angles P-C4'-P energy: -76.914 tors. eta vs tors. theta energy: -147.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1668.080190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.080190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.080190 (E_RNA) where: Base-Base interactions energy: -1146.285 where: short stacking energy: -461.139 Base-Backbone interact. energy: -2.448 local terms energy: -519.347261 where: bonds (distance) C4'-P energy: -103.515 bonds (distance) P-C4' energy: -83.496 flat angles C4'-P-C4' energy: -119.375 flat angles P-C4'-P energy: -78.838 tors. eta vs tors. theta energy: -134.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1561.009561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.009561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.009561 (E_RNA) where: Base-Base interactions energy: -1075.073 where: short stacking energy: -455.962 Base-Backbone interact. energy: -1.686 local terms energy: -484.250793 where: bonds (distance) C4'-P energy: -89.129 bonds (distance) P-C4' energy: -95.995 flat angles C4'-P-C4' energy: -104.577 flat angles P-C4'-P energy: -73.629 tors. eta vs tors. theta energy: -120.922 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: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1532.169547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.169547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.169547 (E_RNA) where: Base-Base interactions energy: -1012.554 where: short stacking energy: -454.559 Base-Backbone interact. energy: -1.339 local terms energy: -518.276684 where: bonds (distance) C4'-P energy: -93.430 bonds (distance) P-C4' energy: -100.660 flat angles C4'-P-C4' energy: -111.468 flat angles P-C4'-P energy: -76.375 tors. eta vs tors. theta energy: -136.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1311.260266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.260266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.260266 (E_RNA) where: Base-Base interactions energy: -842.674 where: short stacking energy: -390.922 Base-Backbone interact. energy: 0.005 local terms energy: -468.591734 where: bonds (distance) C4'-P energy: -97.650 bonds (distance) P-C4' energy: -113.293 flat angles C4'-P-C4' energy: -112.409 flat angles P-C4'-P energy: -52.158 tors. eta vs tors. theta energy: -93.082 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: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1091.487902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.487902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.487902 (E_RNA) where: Base-Base interactions energy: -693.006 where: short stacking energy: -314.991 Base-Backbone interact. energy: 1.272 local terms energy: -399.754301 where: bonds (distance) C4'-P energy: -92.081 bonds (distance) P-C4' energy: -103.315 flat angles C4'-P-C4' energy: -89.370 flat angles P-C4'-P energy: -40.582 tors. eta vs tors. theta energy: -74.406 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: 8, replica: 10 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -613.769844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.769844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.769844 (E_RNA) where: Base-Base interactions energy: -306.151 where: short stacking energy: -167.917 Base-Backbone interact. energy: 4.542 local terms energy: -312.161198 where: bonds (distance) C4'-P energy: -96.661 bonds (distance) P-C4' energy: -100.690 flat angles C4'-P-C4' energy: -91.577 flat angles P-C4'-P energy: -30.251 tors. eta vs tors. theta energy: 7.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -468.292490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.292490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.292490 (E_RNA) where: Base-Base interactions energy: -145.321 where: short stacking energy: -127.946 Base-Backbone interact. energy: 2.307 local terms energy: -325.278766 where: bonds (distance) C4'-P energy: -107.109 bonds (distance) P-C4' energy: -94.346 flat angles C4'-P-C4' energy: -91.381 flat angles P-C4'-P energy: -43.401 tors. eta vs tors. theta energy: 10.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -422.657091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.657091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.657091 (E_RNA) where: Base-Base interactions energy: -136.391 where: short stacking energy: -111.217 Base-Backbone interact. energy: 4.344 local terms energy: -290.610051 where: bonds (distance) C4'-P energy: -98.048 bonds (distance) P-C4' energy: -91.951 flat angles C4'-P-C4' energy: -88.606 flat angles P-C4'-P energy: -48.338 tors. eta vs tors. theta energy: 36.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1868.355911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.355911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.355911 (E_RNA) where: Base-Base interactions energy: -1284.930 where: short stacking energy: -545.986 Base-Backbone interact. energy: -1.622 local terms energy: -581.804426 where: bonds (distance) C4'-P energy: -98.055 bonds (distance) P-C4' energy: -103.934 flat angles C4'-P-C4' energy: -132.100 flat angles P-C4'-P energy: -78.542 tors. eta vs tors. theta energy: -169.173 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: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1767.213821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.213821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.213821 (E_RNA) where: Base-Base interactions energy: -1210.964 where: short stacking energy: -504.635 Base-Backbone interact. energy: 5.744 local terms energy: -561.993721 where: bonds (distance) C4'-P energy: -108.962 bonds (distance) P-C4' energy: -114.506 flat angles C4'-P-C4' energy: -116.562 flat angles P-C4'-P energy: -79.650 tors. eta vs tors. theta energy: -142.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1705.278790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.278790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.278790 (E_RNA) where: Base-Base interactions energy: -1148.144 where: short stacking energy: -491.366 Base-Backbone interact. energy: -2.548 local terms energy: -554.587266 where: bonds (distance) C4'-P energy: -92.686 bonds (distance) P-C4' energy: -106.705 flat angles C4'-P-C4' energy: -126.490 flat angles P-C4'-P energy: -79.366 tors. eta vs tors. theta energy: -149.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1506.569734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.569734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.569734 (E_RNA) where: Base-Base interactions energy: -1016.589 where: short stacking energy: -428.053 Base-Backbone interact. energy: -0.469 local terms energy: -489.511472 where: bonds (distance) C4'-P energy: -104.160 bonds (distance) P-C4' energy: -90.228 flat angles C4'-P-C4' energy: -111.994 flat angles P-C4'-P energy: -71.764 tors. eta vs tors. theta energy: -111.365 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: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1496.287387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.287387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.287387 (E_RNA) where: Base-Base interactions energy: -966.467 where: short stacking energy: -434.113 Base-Backbone interact. energy: 3.555 local terms energy: -533.374631 where: bonds (distance) C4'-P energy: -103.394 bonds (distance) P-C4' energy: -107.541 flat angles C4'-P-C4' energy: -115.629 flat angles P-C4'-P energy: -73.077 tors. eta vs tors. theta energy: -133.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1243.756578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.756578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.756578 (E_RNA) where: Base-Base interactions energy: -793.383 where: short stacking energy: -334.746 Base-Backbone interact. energy: -2.358 local terms energy: -448.015124 where: bonds (distance) C4'-P energy: -99.824 bonds (distance) P-C4' energy: -94.623 flat angles C4'-P-C4' energy: -103.075 flat angles P-C4'-P energy: -68.718 tors. eta vs tors. theta energy: -81.775 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: 7, replica: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1123.390627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.390627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.390627 (E_RNA) where: Base-Base interactions energy: -685.965 where: short stacking energy: -296.644 Base-Backbone interact. energy: 3.078 local terms energy: -440.503056 where: bonds (distance) C4'-P energy: -85.371 bonds (distance) P-C4' energy: -102.837 flat angles C4'-P-C4' energy: -107.575 flat angles P-C4'-P energy: -67.316 tors. eta vs tors. theta energy: -77.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -690.887823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.887823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.887823 (E_RNA) where: Base-Base interactions energy: -350.426 where: short stacking energy: -197.800 Base-Backbone interact. energy: 0.644 local terms energy: -341.105253 where: bonds (distance) C4'-P energy: -91.585 bonds (distance) P-C4' energy: -83.997 flat angles C4'-P-C4' energy: -94.400 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: -25.846 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: 9, replica: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -487.646851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.646851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.646851 (E_RNA) where: Base-Base interactions energy: -167.146 where: short stacking energy: -135.094 Base-Backbone interact. energy: -1.192 local terms energy: -319.308942 where: bonds (distance) C4'-P energy: -98.595 bonds (distance) P-C4' energy: -88.750 flat angles C4'-P-C4' energy: -77.620 flat angles P-C4'-P energy: -54.775 tors. eta vs tors. theta energy: 0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -414.052799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.052799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.052799 (E_RNA) where: Base-Base interactions energy: -164.623 where: short stacking energy: -154.945 Base-Backbone interact. energy: -2.407 local terms energy: -247.022950 where: bonds (distance) C4'-P energy: -68.499 bonds (distance) P-C4' energy: -92.207 flat angles C4'-P-C4' energy: -52.758 flat angles P-C4'-P energy: -54.468 tors. eta vs tors. theta energy: 20.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1899.002960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.002960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.002960 (E_RNA) where: Base-Base interactions energy: -1290.129 where: short stacking energy: -559.889 Base-Backbone interact. energy: 0.261 local terms energy: -609.134426 where: bonds (distance) C4'-P energy: -118.377 bonds (distance) P-C4' energy: -95.609 flat angles C4'-P-C4' energy: -131.466 flat angles P-C4'-P energy: -90.223 tors. eta vs tors. theta energy: -173.459 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: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1782.879166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.879166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.879166 (E_RNA) where: Base-Base interactions energy: -1199.480 where: short stacking energy: -520.915 Base-Backbone interact. energy: -2.228 local terms energy: -581.170663 where: bonds (distance) C4'-P energy: -111.816 bonds (distance) P-C4' energy: -114.973 flat angles C4'-P-C4' energy: -115.556 flat angles P-C4'-P energy: -92.135 tors. eta vs tors. theta energy: -146.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1697.506672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.506672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.506672 (E_RNA) where: Base-Base interactions energy: -1128.128 where: short stacking energy: -472.517 Base-Backbone interact. energy: -3.659 local terms energy: -565.719216 where: bonds (distance) C4'-P energy: -116.044 bonds (distance) P-C4' energy: -112.334 flat angles C4'-P-C4' energy: -117.273 flat angles P-C4'-P energy: -81.011 tors. eta vs tors. theta energy: -139.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1541.187328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.187328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.187328 (E_RNA) where: Base-Base interactions energy: -1035.036 where: short stacking energy: -446.028 Base-Backbone interact. energy: -4.472 local terms energy: -501.679633 where: bonds (distance) C4'-P energy: -107.593 bonds (distance) P-C4' energy: -89.283 flat angles C4'-P-C4' energy: -105.447 flat angles P-C4'-P energy: -75.309 tors. eta vs tors. theta energy: -124.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1521.979596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.979596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.979596 (E_RNA) where: Base-Base interactions energy: -1000.257 where: short stacking energy: -439.304 Base-Backbone interact. energy: -2.737 local terms energy: -518.985140 where: bonds (distance) C4'-P energy: -89.051 bonds (distance) P-C4' energy: -112.265 flat angles C4'-P-C4' energy: -111.713 flat angles P-C4'-P energy: -81.332 tors. eta vs tors. theta energy: -124.624 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: 5 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1278.657339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.657339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.657339 (E_RNA) where: Base-Base interactions energy: -787.688 where: short stacking energy: -385.567 Base-Backbone interact. energy: -0.848 local terms energy: -490.121292 where: bonds (distance) C4'-P energy: -108.894 bonds (distance) P-C4' energy: -105.526 flat angles C4'-P-C4' energy: -103.101 flat angles P-C4'-P energy: -71.033 tors. eta vs tors. theta energy: -101.567 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: 7, replica: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1104.295582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.295582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.295582 (E_RNA) where: Base-Base interactions energy: -693.788 where: short stacking energy: -302.584 Base-Backbone interact. energy: 1.546 local terms energy: -412.054314 where: bonds (distance) C4'-P energy: -111.384 bonds (distance) P-C4' energy: -103.784 flat angles C4'-P-C4' energy: -93.497 flat angles P-C4'-P energy: -48.600 tors. eta vs tors. theta energy: -54.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -686.838428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.838428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.838428 (E_RNA) where: Base-Base interactions energy: -357.267 where: short stacking energy: -215.953 Base-Backbone interact. energy: 4.047 local terms energy: -333.618093 where: bonds (distance) C4'-P energy: -97.720 bonds (distance) P-C4' energy: -88.938 flat angles C4'-P-C4' energy: -90.006 flat angles P-C4'-P energy: -62.799 tors. eta vs tors. theta energy: 5.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -505.695665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.695665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.695665 (E_RNA) where: Base-Base interactions energy: -203.804 where: short stacking energy: -141.203 Base-Backbone interact. energy: -0.258 local terms energy: -301.633226 where: bonds (distance) C4'-P energy: -73.870 bonds (distance) P-C4' energy: -100.258 flat angles C4'-P-C4' energy: -71.408 flat angles P-C4'-P energy: -54.902 tors. eta vs tors. theta energy: -1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -448.682931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.682931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.682931 (E_RNA) where: Base-Base interactions energy: -174.220 where: short stacking energy: -119.137 Base-Backbone interact. energy: -4.293 local terms energy: -270.169196 where: bonds (distance) C4'-P energy: -84.810 bonds (distance) P-C4' energy: -98.250 flat angles C4'-P-C4' energy: -74.425 flat angles P-C4'-P energy: -47.621 tors. eta vs tors. theta energy: 34.938 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: 289 Temperature: 0.900000 Total energy: -1916.110505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.110505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.110505 (E_RNA) where: Base-Base interactions energy: -1308.463 where: short stacking energy: -558.496 Base-Backbone interact. energy: 2.088 local terms energy: -609.734981 where: bonds (distance) C4'-P energy: -113.636 bonds (distance) P-C4' energy: -107.224 flat angles C4'-P-C4' energy: -119.066 flat angles P-C4'-P energy: -96.684 tors. eta vs tors. theta energy: -173.124 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: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1763.103684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.103684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.103684 (E_RNA) where: Base-Base interactions energy: -1195.807 where: short stacking energy: -506.470 Base-Backbone interact. energy: -0.151 local terms energy: -567.145778 where: bonds (distance) C4'-P energy: -97.567 bonds (distance) P-C4' energy: -116.957 flat angles C4'-P-C4' energy: -119.842 flat angles P-C4'-P energy: -83.230 tors. eta vs tors. theta energy: -149.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1638.806193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.806193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.806193 (E_RNA) where: Base-Base interactions energy: -1106.760 where: short stacking energy: -483.485 Base-Backbone interact. energy: -2.357 local terms energy: -529.689413 where: bonds (distance) C4'-P energy: -107.343 bonds (distance) P-C4' energy: -103.564 flat angles C4'-P-C4' energy: -108.283 flat angles P-C4'-P energy: -81.506 tors. eta vs tors. theta energy: -128.994 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: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1612.981853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.981853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.981853 (E_RNA) where: Base-Base interactions energy: -1078.868 where: short stacking energy: -475.541 Base-Backbone interact. energy: 9.506 local terms energy: -543.619252 where: bonds (distance) C4'-P energy: -107.496 bonds (distance) P-C4' energy: -107.310 flat angles C4'-P-C4' energy: -122.796 flat angles P-C4'-P energy: -72.251 tors. eta vs tors. theta energy: -133.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1506.226437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.226437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.226437 (E_RNA) where: Base-Base interactions energy: -976.148 where: short stacking energy: -411.835 Base-Backbone interact. energy: -2.139 local terms energy: -527.938710 where: bonds (distance) C4'-P energy: -112.032 bonds (distance) P-C4' energy: -104.664 flat angles C4'-P-C4' energy: -114.265 flat angles P-C4'-P energy: -74.640 tors. eta vs tors. theta energy: -122.337 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: 6, replica: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1275.284694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.284694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.284694 (E_RNA) where: Base-Base interactions energy: -803.617 where: short stacking energy: -347.445 Base-Backbone interact. energy: -2.113 local terms energy: -469.554435 where: bonds (distance) C4'-P energy: -88.448 bonds (distance) P-C4' energy: -98.423 flat angles C4'-P-C4' energy: -111.086 flat angles P-C4'-P energy: -71.754 tors. eta vs tors. theta energy: -99.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1061.473190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.473190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.473190 (E_RNA) where: Base-Base interactions energy: -704.471 where: short stacking energy: -309.180 Base-Backbone interact. energy: -1.362 local terms energy: -355.640186 where: bonds (distance) C4'-P energy: -82.025 bonds (distance) P-C4' energy: -84.697 flat angles C4'-P-C4' energy: -78.396 flat angles P-C4'-P energy: -43.592 tors. eta vs tors. theta energy: -66.930 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: 10 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -735.895406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.895406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.895406 (E_RNA) where: Base-Base interactions energy: -366.345 where: short stacking energy: -197.321 Base-Backbone interact. energy: -0.299 local terms energy: -369.251109 where: bonds (distance) C4'-P energy: -99.927 bonds (distance) P-C4' energy: -104.913 flat angles C4'-P-C4' energy: -82.757 flat angles P-C4'-P energy: -65.254 tors. eta vs tors. theta energy: -16.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -486.313417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.313417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.313417 (E_RNA) where: Base-Base interactions energy: -179.580 where: short stacking energy: -156.405 Base-Backbone interact. energy: 6.508 local terms energy: -313.241947 where: bonds (distance) C4'-P energy: -92.138 bonds (distance) P-C4' energy: -96.607 flat angles C4'-P-C4' energy: -86.311 flat angles P-C4'-P energy: -29.283 tors. eta vs tors. theta energy: -8.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -448.963109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.963109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.963109 (E_RNA) where: Base-Base interactions energy: -173.747 where: short stacking energy: -146.925 Base-Backbone interact. energy: 7.512 local terms energy: -282.728123 where: bonds (distance) C4'-P energy: -77.710 bonds (distance) P-C4' energy: -93.596 flat angles C4'-P-C4' energy: -79.083 flat angles P-C4'-P energy: -45.147 tors. eta vs tors. theta energy: 12.808 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: 7 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1908.817652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.817652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.817652 (E_RNA) where: Base-Base interactions energy: -1307.566 where: short stacking energy: -553.969 Base-Backbone interact. energy: -1.727 local terms energy: -599.524508 where: bonds (distance) C4'-P energy: -108.368 bonds (distance) P-C4' energy: -113.458 flat angles C4'-P-C4' energy: -127.359 flat angles P-C4'-P energy: -89.395 tors. eta vs tors. theta energy: -160.944 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: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1763.123532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.123532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.123532 (E_RNA) where: Base-Base interactions energy: -1190.423 where: short stacking energy: -513.721 Base-Backbone interact. energy: -3.355 local terms energy: -569.345201 where: bonds (distance) C4'-P energy: -102.653 bonds (distance) P-C4' energy: -116.254 flat angles C4'-P-C4' energy: -125.450 flat angles P-C4'-P energy: -75.125 tors. eta vs tors. theta energy: -149.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1616.801664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.801664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.801664 (E_RNA) where: Base-Base interactions energy: -1069.250 where: short stacking energy: -458.524 Base-Backbone interact. energy: -4.821 local terms energy: -542.730194 where: bonds (distance) C4'-P energy: -92.792 bonds (distance) P-C4' energy: -108.454 flat angles C4'-P-C4' energy: -118.664 flat angles P-C4'-P energy: -82.706 tors. eta vs tors. theta energy: -140.115 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: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1586.629645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.629645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.629645 (E_RNA) where: Base-Base interactions energy: -1067.715 where: short stacking energy: -451.408 Base-Backbone interact. energy: -0.398 local terms energy: -518.516662 where: bonds (distance) C4'-P energy: -99.519 bonds (distance) P-C4' energy: -119.531 flat angles C4'-P-C4' energy: -117.370 flat angles P-C4'-P energy: -66.113 tors. eta vs tors. theta energy: -115.984 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: 6 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1523.212852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.212852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.212852 (E_RNA) where: Base-Base interactions energy: -1022.580 where: short stacking energy: -466.002 Base-Backbone interact. energy: -2.114 local terms energy: -498.519074 where: bonds (distance) C4'-P energy: -94.910 bonds (distance) P-C4' energy: -107.185 flat angles C4'-P-C4' energy: -113.838 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -118.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1321.554443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.554443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.554443 (E_RNA) where: Base-Base interactions energy: -872.764 where: short stacking energy: -382.772 Base-Backbone interact. energy: 0.594 local terms energy: -449.384530 where: bonds (distance) C4'-P energy: -89.351 bonds (distance) P-C4' energy: -100.579 flat angles C4'-P-C4' energy: -98.324 flat angles P-C4'-P energy: -63.584 tors. eta vs tors. theta energy: -97.546 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: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1083.660416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.660416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.660416 (E_RNA) where: Base-Base interactions energy: -650.971 where: short stacking energy: -311.210 Base-Backbone interact. energy: -0.922 local terms energy: -431.767348 where: bonds (distance) C4'-P energy: -103.254 bonds (distance) P-C4' energy: -95.909 flat angles C4'-P-C4' energy: -90.255 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -73.123 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: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -723.505885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.505885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.505885 (E_RNA) where: Base-Base interactions energy: -393.781 where: short stacking energy: -188.763 Base-Backbone interact. energy: -2.350 local terms energy: -327.374821 where: bonds (distance) C4'-P energy: -88.741 bonds (distance) P-C4' energy: -84.129 flat angles C4'-P-C4' energy: -88.447 flat angles P-C4'-P energy: -56.554 tors. eta vs tors. theta energy: -9.505 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: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -500.998849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.998849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.998849 (E_RNA) where: Base-Base interactions energy: -186.976 where: short stacking energy: -150.485 Base-Backbone interact. energy: -1.086 local terms energy: -312.936938 where: bonds (distance) C4'-P energy: -106.041 bonds (distance) P-C4' energy: -89.084 flat angles C4'-P-C4' energy: -70.392 flat angles P-C4'-P energy: -46.451 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: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -411.186832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.186832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.186832 (E_RNA) where: Base-Base interactions energy: -134.952 where: short stacking energy: -94.967 Base-Backbone interact. energy: 3.686 local terms energy: -279.920658 where: bonds (distance) C4'-P energy: -107.111 bonds (distance) P-C4' energy: -88.982 flat angles C4'-P-C4' energy: -62.648 flat angles P-C4'-P energy: -52.001 tors. eta vs tors. theta energy: 30.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1899.849857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.849857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.849857 (E_RNA) where: Base-Base interactions energy: -1311.895 where: short stacking energy: -548.938 Base-Backbone interact. energy: -1.164 local terms energy: -586.790994 where: bonds (distance) C4'-P energy: -115.166 bonds (distance) P-C4' energy: -119.096 flat angles C4'-P-C4' energy: -124.460 flat angles P-C4'-P energy: -68.665 tors. eta vs tors. theta energy: -159.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1740.065684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.065684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.065684 (E_RNA) where: Base-Base interactions energy: -1186.973 where: short stacking energy: -517.907 Base-Backbone interact. energy: -3.951 local terms energy: -549.141598 where: bonds (distance) C4'-P energy: -113.151 bonds (distance) P-C4' energy: -97.937 flat angles C4'-P-C4' energy: -119.319 flat angles P-C4'-P energy: -70.679 tors. eta vs tors. theta energy: -148.055 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: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1615.968807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.968807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.968807 (E_RNA) where: Base-Base interactions energy: -1067.805 where: short stacking energy: -474.309 Base-Backbone interact. energy: -4.150 local terms energy: -544.013999 where: bonds (distance) C4'-P energy: -99.882 bonds (distance) P-C4' energy: -102.426 flat angles C4'-P-C4' energy: -125.247 flat angles P-C4'-P energy: -73.820 tors. eta vs tors. theta energy: -142.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1538.256959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.256959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.256959 (E_RNA) where: Base-Base interactions energy: -1005.171 where: short stacking energy: -421.204 Base-Backbone interact. energy: -0.736 local terms energy: -532.350134 where: bonds (distance) C4'-P energy: -111.595 bonds (distance) P-C4' energy: -113.476 flat angles C4'-P-C4' energy: -109.652 flat angles P-C4'-P energy: -81.627 tors. eta vs tors. theta energy: -116.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1552.923292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.923292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.923292 (E_RNA) where: Base-Base interactions energy: -1061.064 where: short stacking energy: -450.234 Base-Backbone interact. energy: -2.933 local terms energy: -488.926443 where: bonds (distance) C4'-P energy: -84.615 bonds (distance) P-C4' energy: -99.693 flat angles C4'-P-C4' energy: -111.525 flat angles P-C4'-P energy: -76.005 tors. eta vs tors. theta energy: -117.087 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: 291 Temperature: 1.150000 Total energy: -1265.864194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.864194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.864194 (E_RNA) where: Base-Base interactions energy: -814.244 where: short stacking energy: -366.570 Base-Backbone interact. energy: 0.772 local terms energy: -452.392610 where: bonds (distance) C4'-P energy: -91.518 bonds (distance) P-C4' energy: -101.747 flat angles C4'-P-C4' energy: -102.054 flat angles P-C4'-P energy: -73.020 tors. eta vs tors. theta energy: -84.054 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: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1073.063199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.063199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.063199 (E_RNA) where: Base-Base interactions energy: -648.060 where: short stacking energy: -276.663 Base-Backbone interact. energy: 0.994 local terms energy: -425.997303 where: bonds (distance) C4'-P energy: -77.313 bonds (distance) P-C4' energy: -109.824 flat angles C4'-P-C4' energy: -112.978 flat angles P-C4'-P energy: -63.630 tors. eta vs tors. theta energy: -62.252 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: 10 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -665.185471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.185471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.185471 (E_RNA) where: Base-Base interactions energy: -330.897 where: short stacking energy: -185.122 Base-Backbone interact. energy: -2.361 local terms energy: -331.927936 where: bonds (distance) C4'-P energy: -87.695 bonds (distance) P-C4' energy: -103.983 flat angles C4'-P-C4' energy: -73.284 flat angles P-C4'-P energy: -56.925 tors. eta vs tors. theta energy: -10.041 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: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -497.777884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.777884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.777884 (E_RNA) where: Base-Base interactions energy: -166.687 where: short stacking energy: -122.907 Base-Backbone interact. energy: 2.909 local terms energy: -334.000558 where: bonds (distance) C4'-P energy: -100.922 bonds (distance) P-C4' energy: -101.173 flat angles C4'-P-C4' energy: -79.347 flat angles P-C4'-P energy: -52.540 tors. eta vs tors. theta energy: -0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -440.611828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.611828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.611828 (E_RNA) where: Base-Base interactions energy: -139.554 where: short stacking energy: -124.142 Base-Backbone interact. energy: -1.835 local terms energy: -299.222565 where: bonds (distance) C4'-P energy: -88.403 bonds (distance) P-C4' energy: -87.589 flat angles C4'-P-C4' energy: -91.058 flat angles P-C4'-P energy: -30.074 tors. eta vs tors. theta energy: -2.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1937.017230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.017230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.017230 (E_RNA) where: Base-Base interactions energy: -1335.377 where: short stacking energy: -545.508 Base-Backbone interact. energy: -0.312 local terms energy: -601.327690 where: bonds (distance) C4'-P energy: -116.652 bonds (distance) P-C4' energy: -112.480 flat angles C4'-P-C4' energy: -121.204 flat angles P-C4'-P energy: -88.127 tors. eta vs tors. theta energy: -162.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1752.097519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.097519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.097519 (E_RNA) where: Base-Base interactions energy: -1176.685 where: short stacking energy: -504.644 Base-Backbone interact. energy: -3.159 local terms energy: -572.253544 where: bonds (distance) C4'-P energy: -118.680 bonds (distance) P-C4' energy: -105.090 flat angles C4'-P-C4' energy: -127.923 flat angles P-C4'-P energy: -83.526 tors. eta vs tors. theta energy: -137.035 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: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1639.714096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.714096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.714096 (E_RNA) where: Base-Base interactions energy: -1056.935 where: short stacking energy: -476.815 Base-Backbone interact. energy: -1.579 local terms energy: -581.200679 where: bonds (distance) C4'-P energy: -117.471 bonds (distance) P-C4' energy: -116.682 flat angles C4'-P-C4' energy: -126.888 flat angles P-C4'-P energy: -85.508 tors. eta vs tors. theta energy: -134.652 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: 1 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1534.958671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.958671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.958671 (E_RNA) where: Base-Base interactions energy: -1009.515 where: short stacking energy: -459.758 Base-Backbone interact. energy: -0.213 local terms energy: -525.230885 where: bonds (distance) C4'-P energy: -105.656 bonds (distance) P-C4' energy: -108.297 flat angles C4'-P-C4' energy: -115.293 flat angles P-C4'-P energy: -60.775 tors. eta vs tors. theta energy: -135.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1507.235681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.235681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.235681 (E_RNA) where: Base-Base interactions energy: -1012.113 where: short stacking energy: -428.445 Base-Backbone interact. energy: 0.948 local terms energy: -496.070719 where: bonds (distance) C4'-P energy: -100.811 bonds (distance) P-C4' energy: -108.433 flat angles C4'-P-C4' energy: -103.832 flat angles P-C4'-P energy: -64.838 tors. eta vs tors. theta energy: -118.157 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: 292 Temperature: 1.150000 Total energy: -1324.055375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.055375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.055375 (E_RNA) where: Base-Base interactions energy: -846.901 where: short stacking energy: -372.896 Base-Backbone interact. energy: -1.248 local terms energy: -475.906590 where: bonds (distance) C4'-P energy: -100.596 bonds (distance) P-C4' energy: -100.855 flat angles C4'-P-C4' energy: -106.989 flat angles P-C4'-P energy: -61.769 tors. eta vs tors. theta energy: -105.697 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: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1092.435421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.435421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.435421 (E_RNA) where: Base-Base interactions energy: -677.853 where: short stacking energy: -301.409 Base-Backbone interact. energy: 0.915 local terms energy: -415.497810 where: bonds (distance) C4'-P energy: -87.605 bonds (distance) P-C4' energy: -97.661 flat angles C4'-P-C4' energy: -102.962 flat angles P-C4'-P energy: -66.984 tors. eta vs tors. theta energy: -60.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -619.205127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.205127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.205127 (E_RNA) where: Base-Base interactions energy: -276.567 where: short stacking energy: -162.754 Base-Backbone interact. energy: 0.225 local terms energy: -342.862346 where: bonds (distance) C4'-P energy: -80.100 bonds (distance) P-C4' energy: -104.024 flat angles C4'-P-C4' energy: -96.175 flat angles P-C4'-P energy: -55.120 tors. eta vs tors. theta energy: -7.444 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: 9, replica: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -483.189832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.189832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.189832 (E_RNA) where: Base-Base interactions energy: -192.411 where: short stacking energy: -131.833 Base-Backbone interact. energy: 7.360 local terms energy: -298.139189 where: bonds (distance) C4'-P energy: -82.514 bonds (distance) P-C4' energy: -97.690 flat angles C4'-P-C4' energy: -84.559 flat angles P-C4'-P energy: -48.229 tors. eta vs tors. theta energy: 14.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -441.643971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.643971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.643971 (E_RNA) where: Base-Base interactions energy: -171.594 where: short stacking energy: -127.590 Base-Backbone interact. energy: 1.105 local terms energy: -271.155013 where: bonds (distance) C4'-P energy: -94.178 bonds (distance) P-C4' energy: -97.887 flat angles C4'-P-C4' energy: -67.105 flat angles P-C4'-P energy: -48.234 tors. eta vs tors. theta energy: 36.249 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: 7 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1918.823594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.823594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.823594 (E_RNA) where: Base-Base interactions energy: -1301.832 where: short stacking energy: -558.298 Base-Backbone interact. energy: 0.909 local terms energy: -617.899986 where: bonds (distance) C4'-P energy: -116.110 bonds (distance) P-C4' energy: -116.011 flat angles C4'-P-C4' energy: -126.394 flat angles P-C4'-P energy: -86.286 tors. eta vs tors. theta energy: -173.099 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: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1693.623676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.623676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.623676 (E_RNA) where: Base-Base interactions energy: -1116.033 where: short stacking energy: -483.630 Base-Backbone interact. energy: -4.178 local terms energy: -573.412597 where: bonds (distance) C4'-P energy: -98.324 bonds (distance) P-C4' energy: -109.015 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -88.236 tors. eta vs tors. theta energy: -155.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1694.695647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.695647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.695647 (E_RNA) where: Base-Base interactions energy: -1153.666 where: short stacking energy: -494.741 Base-Backbone interact. energy: -2.473 local terms energy: -538.557069 where: bonds (distance) C4'-P energy: -100.216 bonds (distance) P-C4' energy: -96.513 flat angles C4'-P-C4' energy: -124.085 flat angles P-C4'-P energy: -70.441 tors. eta vs tors. theta energy: -147.302 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: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1530.738792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.738792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.738792 (E_RNA) where: Base-Base interactions energy: -1009.232 where: short stacking energy: -443.145 Base-Backbone interact. energy: -1.849 local terms energy: -519.657445 where: bonds (distance) C4'-P energy: -98.540 bonds (distance) P-C4' energy: -110.825 flat angles C4'-P-C4' energy: -111.082 flat angles P-C4'-P energy: -75.458 tors. eta vs tors. theta energy: -123.754 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: 6 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1512.995648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.995648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.995648 (E_RNA) where: Base-Base interactions energy: -1035.704 where: short stacking energy: -445.751 Base-Backbone interact. energy: -3.374 local terms energy: -473.917781 where: bonds (distance) C4'-P energy: -100.237 bonds (distance) P-C4' energy: -102.975 flat angles C4'-P-C4' energy: -102.023 flat angles P-C4'-P energy: -64.980 tors. eta vs tors. theta energy: -103.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1321.860915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.860915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.860915 (E_RNA) where: Base-Base interactions energy: -867.921 where: short stacking energy: -359.607 Base-Backbone interact. energy: 2.219 local terms energy: -456.158320 where: bonds (distance) C4'-P energy: -97.055 bonds (distance) P-C4' energy: -99.293 flat angles C4'-P-C4' energy: -113.046 flat angles P-C4'-P energy: -66.156 tors. eta vs tors. theta energy: -80.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1027.366729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.366729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.366729 (E_RNA) where: Base-Base interactions energy: -643.687 where: short stacking energy: -284.571 Base-Backbone interact. energy: -3.822 local terms energy: -379.857050 where: bonds (distance) C4'-P energy: -100.586 bonds (distance) P-C4' energy: -89.983 flat angles C4'-P-C4' energy: -95.628 flat angles P-C4'-P energy: -42.209 tors. eta vs tors. theta energy: -51.452 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: 8, replica: 10 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -678.409523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.409523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.409523 (E_RNA) where: Base-Base interactions energy: -323.586 where: short stacking energy: -180.058 Base-Backbone interact. energy: -1.732 local terms energy: -353.091537 where: bonds (distance) C4'-P energy: -86.647 bonds (distance) P-C4' energy: -114.103 flat angles C4'-P-C4' energy: -78.565 flat angles P-C4'-P energy: -55.155 tors. eta vs tors. theta energy: -18.622 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: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -495.474608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.474608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.474608 (E_RNA) where: Base-Base interactions energy: -208.979 where: short stacking energy: -163.521 Base-Backbone interact. energy: -0.484 local terms energy: -286.011639 where: bonds (distance) C4'-P energy: -77.242 bonds (distance) P-C4' energy: -74.673 flat angles C4'-P-C4' energy: -78.254 flat angles P-C4'-P energy: -51.969 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -450.272702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.272702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.272702 (E_RNA) where: Base-Base interactions energy: -171.254 where: short stacking energy: -121.947 Base-Backbone interact. energy: -1.884 local terms energy: -277.134720 where: bonds (distance) C4'-P energy: -82.716 bonds (distance) P-C4' energy: -101.797 flat angles C4'-P-C4' energy: -68.087 flat angles P-C4'-P energy: -43.343 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: 1, replica: 7 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1910.370952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.370952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.370952 (E_RNA) where: Base-Base interactions energy: -1293.742 where: short stacking energy: -547.749 Base-Backbone interact. energy: 0.197 local terms energy: -616.826516 where: bonds (distance) C4'-P energy: -118.933 bonds (distance) P-C4' energy: -109.765 flat angles C4'-P-C4' energy: -124.865 flat angles P-C4'-P energy: -91.405 tors. eta vs tors. theta energy: -171.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1682.556040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.556040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.556040 (E_RNA) where: Base-Base interactions energy: -1138.514 where: short stacking energy: -493.446 Base-Backbone interact. energy: -2.336 local terms energy: -541.706391 where: bonds (distance) C4'-P energy: -101.313 bonds (distance) P-C4' energy: -113.920 flat angles C4'-P-C4' energy: -109.562 flat angles P-C4'-P energy: -88.569 tors. eta vs tors. theta energy: -128.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1713.006576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.006576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.006576 (E_RNA) where: Base-Base interactions energy: -1185.414 where: short stacking energy: -502.892 Base-Backbone interact. energy: -1.487 local terms energy: -526.104971 where: bonds (distance) C4'-P energy: -105.676 bonds (distance) P-C4' energy: -99.867 flat angles C4'-P-C4' energy: -124.078 flat angles P-C4'-P energy: -55.073 tors. eta vs tors. theta energy: -141.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1565.423054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.423054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.423054 (E_RNA) where: Base-Base interactions energy: -1037.074 where: short stacking energy: -463.923 Base-Backbone interact. energy: -1.873 local terms energy: -526.475976 where: bonds (distance) C4'-P energy: -88.893 bonds (distance) P-C4' energy: -108.449 flat angles C4'-P-C4' energy: -122.571 flat angles P-C4'-P energy: -67.451 tors. eta vs tors. theta energy: -139.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1517.725021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.725021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.725021 (E_RNA) where: Base-Base interactions energy: -1039.007 where: short stacking energy: -432.981 Base-Backbone interact. energy: 1.304 local terms energy: -480.021407 where: bonds (distance) C4'-P energy: -82.904 bonds (distance) P-C4' energy: -94.298 flat angles C4'-P-C4' energy: -119.979 flat angles P-C4'-P energy: -70.785 tors. eta vs tors. theta energy: -112.055 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: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1263.081506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.081506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.081506 (E_RNA) where: Base-Base interactions energy: -843.586 where: short stacking energy: -374.698 Base-Backbone interact. energy: -3.676 local terms energy: -415.819925 where: bonds (distance) C4'-P energy: -77.739 bonds (distance) P-C4' energy: -91.742 flat angles C4'-P-C4' energy: -98.346 flat angles P-C4'-P energy: -54.866 tors. eta vs tors. theta energy: -93.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1070.467016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.467016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.467016 (E_RNA) where: Base-Base interactions energy: -675.874 where: short stacking energy: -305.616 Base-Backbone interact. energy: 5.151 local terms energy: -399.743682 where: bonds (distance) C4'-P energy: -103.474 bonds (distance) P-C4' energy: -94.296 flat angles C4'-P-C4' energy: -79.604 flat angles P-C4'-P energy: -66.981 tors. eta vs tors. theta energy: -55.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -654.550756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.550756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.550756 (E_RNA) where: Base-Base interactions energy: -315.667 where: short stacking energy: -192.281 Base-Backbone interact. energy: 0.915 local terms energy: -339.798810 where: bonds (distance) C4'-P energy: -84.294 bonds (distance) P-C4' energy: -103.232 flat angles C4'-P-C4' energy: -86.138 flat angles P-C4'-P energy: -45.607 tors. eta vs tors. theta energy: -20.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -452.073465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.073465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.073465 (E_RNA) where: Base-Base interactions energy: -155.132 where: short stacking energy: -124.380 Base-Backbone interact. energy: 7.892 local terms energy: -304.833304 where: bonds (distance) C4'-P energy: -80.624 bonds (distance) P-C4' energy: -93.758 flat angles C4'-P-C4' energy: -95.503 flat angles P-C4'-P energy: -44.691 tors. eta vs tors. theta energy: 9.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -426.659331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.659331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.659331 (E_RNA) where: Base-Base interactions energy: -148.989 where: short stacking energy: -116.915 Base-Backbone interact. energy: -1.466 local terms energy: -276.204189 where: bonds (distance) C4'-P energy: -96.947 bonds (distance) P-C4' energy: -102.075 flat angles C4'-P-C4' energy: -64.006 flat angles P-C4'-P energy: -31.911 tors. eta vs tors. theta energy: 18.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1915.026725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.026725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.026725 (E_RNA) where: Base-Base interactions energy: -1290.839 where: short stacking energy: -548.861 Base-Backbone interact. energy: -1.560 local terms energy: -622.627952 where: bonds (distance) C4'-P energy: -118.507 bonds (distance) P-C4' energy: -118.460 flat angles C4'-P-C4' energy: -129.795 flat angles P-C4'-P energy: -82.983 tors. eta vs tors. theta energy: -172.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1754.357595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.357595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.357595 (E_RNA) where: Base-Base interactions energy: -1202.542 where: short stacking energy: -519.163 Base-Backbone interact. energy: -3.372 local terms energy: -548.444304 where: bonds (distance) C4'-P energy: -103.121 bonds (distance) P-C4' energy: -112.144 flat angles C4'-P-C4' energy: -110.786 flat angles P-C4'-P energy: -65.063 tors. eta vs tors. theta energy: -157.330 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: 295 Temperature: 1.000000 Total energy: -1614.148984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.148984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.148984 (E_RNA) where: Base-Base interactions energy: -1096.971 where: short stacking energy: -471.018 Base-Backbone interact. energy: 1.096 local terms energy: -518.273869 where: bonds (distance) C4'-P energy: -95.349 bonds (distance) P-C4' energy: -96.732 flat angles C4'-P-C4' energy: -119.870 flat angles P-C4'-P energy: -71.648 tors. eta vs tors. theta energy: -134.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1605.979640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.979640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.979640 (E_RNA) where: Base-Base interactions energy: -1077.976 where: short stacking energy: -474.893 Base-Backbone interact. energy: 1.394 local terms energy: -529.398052 where: bonds (distance) C4'-P energy: -90.545 bonds (distance) P-C4' energy: -102.958 flat angles C4'-P-C4' energy: -117.141 flat angles P-C4'-P energy: -72.605 tors. eta vs tors. theta energy: -146.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1511.146435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.146435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.146435 (E_RNA) where: Base-Base interactions energy: -1029.152 where: short stacking energy: -426.497 Base-Backbone interact. energy: -2.808 local terms energy: -479.186587 where: bonds (distance) C4'-P energy: -98.086 bonds (distance) P-C4' energy: -97.506 flat angles C4'-P-C4' energy: -106.338 flat angles P-C4'-P energy: -58.614 tors. eta vs tors. theta energy: -118.643 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: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1302.317400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.317400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.317400 (E_RNA) where: Base-Base interactions energy: -867.274 where: short stacking energy: -357.864 Base-Backbone interact. energy: -2.164 local terms energy: -432.879298 where: bonds (distance) C4'-P energy: -86.406 bonds (distance) P-C4' energy: -88.719 flat angles C4'-P-C4' energy: -103.285 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -89.671 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: 295 Temperature: 1.200000 Total energy: -1104.723111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.723111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.723111 (E_RNA) where: Base-Base interactions energy: -687.917 where: short stacking energy: -319.104 Base-Backbone interact. energy: 0.929 local terms energy: -417.734660 where: bonds (distance) C4'-P energy: -89.564 bonds (distance) P-C4' energy: -89.727 flat angles C4'-P-C4' energy: -98.679 flat angles P-C4'-P energy: -63.188 tors. eta vs tors. theta energy: -76.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -678.288675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.288675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.288675 (E_RNA) where: Base-Base interactions energy: -355.387 where: short stacking energy: -183.491 Base-Backbone interact. energy: 0.233 local terms energy: -323.134504 where: bonds (distance) C4'-P energy: -67.994 bonds (distance) P-C4' energy: -107.306 flat angles C4'-P-C4' energy: -89.127 flat angles P-C4'-P energy: -51.737 tors. eta vs tors. theta energy: -6.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -452.997469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.997469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.997469 (E_RNA) where: Base-Base interactions energy: -163.503 where: short stacking energy: -110.270 Base-Backbone interact. energy: 0.292 local terms energy: -289.786395 where: bonds (distance) C4'-P energy: -97.900 bonds (distance) P-C4' energy: -100.513 flat angles C4'-P-C4' energy: -71.413 flat angles P-C4'-P energy: -36.353 tors. eta vs tors. theta energy: 16.393 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: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -414.229004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.229004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.229004 (E_RNA) where: Base-Base interactions energy: -130.524 where: short stacking energy: -102.402 Base-Backbone interact. energy: 0.086 local terms energy: -283.791484 where: bonds (distance) C4'-P energy: -83.856 bonds (distance) P-C4' energy: -98.761 flat angles C4'-P-C4' energy: -76.245 flat angles P-C4'-P energy: -48.041 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: 1, replica: 7 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1926.548568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.548568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.548568 (E_RNA) where: Base-Base interactions energy: -1315.330 where: short stacking energy: -552.925 Base-Backbone interact. energy: 1.299 local terms energy: -612.517468 where: bonds (distance) C4'-P energy: -116.982 bonds (distance) P-C4' energy: -111.641 flat angles C4'-P-C4' energy: -122.216 flat angles P-C4'-P energy: -83.672 tors. eta vs tors. theta energy: -178.007 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: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1760.895842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.895842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.895842 (E_RNA) where: Base-Base interactions energy: -1198.842 where: short stacking energy: -515.873 Base-Backbone interact. energy: 0.481 local terms energy: -562.535201 where: bonds (distance) C4'-P energy: -109.312 bonds (distance) P-C4' energy: -106.105 flat angles C4'-P-C4' energy: -130.283 flat angles P-C4'-P energy: -74.671 tors. eta vs tors. theta energy: -142.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1642.854810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.854810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.854810 (E_RNA) where: Base-Base interactions energy: -1092.669 where: short stacking energy: -471.271 Base-Backbone interact. energy: -2.278 local terms energy: -547.908128 where: bonds (distance) C4'-P energy: -109.150 bonds (distance) P-C4' energy: -116.679 flat angles C4'-P-C4' energy: -110.140 flat angles P-C4'-P energy: -70.593 tors. eta vs tors. theta energy: -141.346 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: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1586.413031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.413031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.413031 (E_RNA) where: Base-Base interactions energy: -1068.969 where: short stacking energy: -469.979 Base-Backbone interact. energy: -3.001 local terms energy: -514.442849 where: bonds (distance) C4'-P energy: -89.794 bonds (distance) P-C4' energy: -85.048 flat angles C4'-P-C4' energy: -113.216 flat angles P-C4'-P energy: -75.469 tors. eta vs tors. theta energy: -150.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1486.068205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.068205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.068205 (E_RNA) where: Base-Base interactions energy: -964.343 where: short stacking energy: -421.045 Base-Backbone interact. energy: -1.830 local terms energy: -519.895868 where: bonds (distance) C4'-P energy: -100.587 bonds (distance) P-C4' energy: -101.768 flat angles C4'-P-C4' energy: -117.514 flat angles P-C4'-P energy: -80.256 tors. eta vs tors. theta energy: -119.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1322.457316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.457316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.457316 (E_RNA) where: Base-Base interactions energy: -862.710 where: short stacking energy: -377.743 Base-Backbone interact. energy: -2.085 local terms energy: -457.662530 where: bonds (distance) C4'-P energy: -92.799 bonds (distance) P-C4' energy: -96.680 flat angles C4'-P-C4' energy: -109.434 flat angles P-C4'-P energy: -54.667 tors. eta vs tors. theta energy: -104.082 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: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1066.056424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.056424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.056424 (E_RNA) where: Base-Base interactions energy: -648.996 where: short stacking energy: -284.170 Base-Backbone interact. energy: -2.298 local terms energy: -414.763009 where: bonds (distance) C4'-P energy: -93.761 bonds (distance) P-C4' energy: -98.638 flat angles C4'-P-C4' energy: -103.141 flat angles P-C4'-P energy: -49.608 tors. eta vs tors. theta energy: -69.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -681.002608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.002608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.002608 (E_RNA) where: Base-Base interactions energy: -329.620 where: short stacking energy: -197.375 Base-Backbone interact. energy: -1.480 local terms energy: -349.903038 where: bonds (distance) C4'-P energy: -88.356 bonds (distance) P-C4' energy: -104.966 flat angles C4'-P-C4' energy: -79.158 flat angles P-C4'-P energy: -64.129 tors. eta vs tors. theta energy: -13.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -442.482947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.482947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.482947 (E_RNA) where: Base-Base interactions energy: -159.199 where: short stacking energy: -115.995 Base-Backbone interact. energy: 0.811 local terms energy: -284.095031 where: bonds (distance) C4'-P energy: -78.774 bonds (distance) P-C4' energy: -95.172 flat angles C4'-P-C4' energy: -71.368 flat angles P-C4'-P energy: -56.408 tors. eta vs tors. theta energy: 17.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -427.168087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.168087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.168087 (E_RNA) where: Base-Base interactions energy: -127.301 where: short stacking energy: -111.222 Base-Backbone interact. energy: -1.492 local terms energy: -298.375224 where: bonds (distance) C4'-P energy: -104.918 bonds (distance) P-C4' energy: -83.135 flat angles C4'-P-C4' energy: -87.226 flat angles P-C4'-P energy: -37.356 tors. eta vs tors. theta energy: 14.259 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: 1, replica: 7 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1913.837910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.837910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.837910 (E_RNA) where: Base-Base interactions energy: -1297.833 where: short stacking energy: -545.301 Base-Backbone interact. energy: -0.105 local terms energy: -615.899924 where: bonds (distance) C4'-P energy: -118.062 bonds (distance) P-C4' energy: -105.714 flat angles C4'-P-C4' energy: -130.437 flat angles P-C4'-P energy: -79.837 tors. eta vs tors. theta energy: -181.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1763.518941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.518941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.518941 (E_RNA) where: Base-Base interactions energy: -1203.042 where: short stacking energy: -509.621 Base-Backbone interact. energy: -1.011 local terms energy: -559.465827 where: bonds (distance) C4'-P energy: -105.739 bonds (distance) P-C4' energy: -105.810 flat angles C4'-P-C4' energy: -130.806 flat angles P-C4'-P energy: -67.246 tors. eta vs tors. theta energy: -149.865 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: 297 Temperature: 1.000000 Total energy: -1618.189853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.189853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.189853 (E_RNA) where: Base-Base interactions energy: -1065.325 where: short stacking energy: -451.441 Base-Backbone interact. energy: 0.293 local terms energy: -553.158181 where: bonds (distance) C4'-P energy: -102.882 bonds (distance) P-C4' energy: -121.502 flat angles C4'-P-C4' energy: -112.972 flat angles P-C4'-P energy: -77.639 tors. eta vs tors. theta energy: -138.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1552.406060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.406060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.406060 (E_RNA) where: Base-Base interactions energy: -1034.528 where: short stacking energy: -429.724 Base-Backbone interact. energy: -2.898 local terms energy: -514.980090 where: bonds (distance) C4'-P energy: -107.148 bonds (distance) P-C4' energy: -94.382 flat angles C4'-P-C4' energy: -104.695 flat angles P-C4'-P energy: -81.669 tors. eta vs tors. theta energy: -127.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1471.131624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.131624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.131624 (E_RNA) where: Base-Base interactions energy: -1018.985 where: short stacking energy: -406.854 Base-Backbone interact. energy: -1.923 local terms energy: -450.222906 where: bonds (distance) C4'-P energy: -76.812 bonds (distance) P-C4' energy: -106.727 flat angles C4'-P-C4' energy: -106.761 flat angles P-C4'-P energy: -56.602 tors. eta vs tors. theta energy: -103.321 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: 6, replica: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1292.850613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.850613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.850613 (E_RNA) where: Base-Base interactions energy: -848.988 where: short stacking energy: -347.367 Base-Backbone interact. energy: 4.570 local terms energy: -448.432400 where: bonds (distance) C4'-P energy: -115.947 bonds (distance) P-C4' energy: -75.375 flat angles C4'-P-C4' energy: -101.645 flat angles P-C4'-P energy: -70.358 tors. eta vs tors. theta energy: -85.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1031.753765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.753765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.753765 (E_RNA) where: Base-Base interactions energy: -642.090 where: short stacking energy: -286.079 Base-Backbone interact. energy: -2.912 local terms energy: -386.751305 where: bonds (distance) C4'-P energy: -87.001 bonds (distance) P-C4' energy: -82.987 flat angles C4'-P-C4' energy: -103.827 flat angles P-C4'-P energy: -60.287 tors. eta vs tors. theta energy: -52.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -641.575762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.575762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.575762 (E_RNA) where: Base-Base interactions energy: -314.632 where: short stacking energy: -175.857 Base-Backbone interact. energy: 0.875 local terms energy: -327.818647 where: bonds (distance) C4'-P energy: -81.388 bonds (distance) P-C4' energy: -99.625 flat angles C4'-P-C4' energy: -77.852 flat angles P-C4'-P energy: -62.100 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -476.758377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.758377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.758377 (E_RNA) where: Base-Base interactions energy: -182.794 where: short stacking energy: -135.260 Base-Backbone interact. energy: -1.441 local terms energy: -292.523075 where: bonds (distance) C4'-P energy: -88.590 bonds (distance) P-C4' energy: -95.349 flat angles C4'-P-C4' energy: -78.067 flat angles P-C4'-P energy: -42.879 tors. eta vs tors. theta energy: 12.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -409.925136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.925136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.925136 (E_RNA) where: Base-Base interactions energy: -150.571 where: short stacking energy: -115.881 Base-Backbone interact. energy: -3.370 local terms energy: -255.984548 where: bonds (distance) C4'-P energy: -69.286 bonds (distance) P-C4' energy: -86.643 flat angles C4'-P-C4' energy: -68.714 flat angles P-C4'-P energy: -37.747 tors. eta vs tors. theta energy: 6.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1931.854539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.854539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.854539 (E_RNA) where: Base-Base interactions energy: -1321.999 where: short stacking energy: -561.227 Base-Backbone interact. energy: -2.910 local terms energy: -606.945821 where: bonds (distance) C4'-P energy: -114.181 bonds (distance) P-C4' energy: -113.350 flat angles C4'-P-C4' energy: -121.241 flat angles P-C4'-P energy: -88.777 tors. eta vs tors. theta energy: -169.397 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: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1794.515727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.515727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.515727 (E_RNA) where: Base-Base interactions energy: -1227.072 where: short stacking energy: -525.643 Base-Backbone interact. energy: 1.469 local terms energy: -568.912170 where: bonds (distance) C4'-P energy: -99.782 bonds (distance) P-C4' energy: -109.131 flat angles C4'-P-C4' energy: -131.965 flat angles P-C4'-P energy: -75.561 tors. eta vs tors. theta energy: -152.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1649.263585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.263585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.263585 (E_RNA) where: Base-Base interactions energy: -1103.856 where: short stacking energy: -494.182 Base-Backbone interact. energy: -2.110 local terms energy: -543.297463 where: bonds (distance) C4'-P energy: -98.579 bonds (distance) P-C4' energy: -117.098 flat angles C4'-P-C4' energy: -113.727 flat angles P-C4'-P energy: -70.955 tors. eta vs tors. theta energy: -142.939 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: 298 Temperature: 1.050000 Total energy: -1575.917188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.917188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.917188 (E_RNA) where: Base-Base interactions energy: -1034.652 where: short stacking energy: -458.517 Base-Backbone interact. energy: -1.934 local terms energy: -539.330680 where: bonds (distance) C4'-P energy: -108.388 bonds (distance) P-C4' energy: -113.782 flat angles C4'-P-C4' energy: -115.166 flat angles P-C4'-P energy: -74.166 tors. eta vs tors. theta energy: -127.828 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: 6 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1478.273668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.273668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.273668 (E_RNA) where: Base-Base interactions energy: -992.540 where: short stacking energy: -425.828 Base-Backbone interact. energy: -3.094 local terms energy: -482.639430 where: bonds (distance) C4'-P energy: -94.174 bonds (distance) P-C4' energy: -84.443 flat angles C4'-P-C4' energy: -119.254 flat angles P-C4'-P energy: -73.740 tors. eta vs tors. theta energy: -111.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1288.647903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.647903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.647903 (E_RNA) where: Base-Base interactions energy: -823.434 where: short stacking energy: -344.781 Base-Backbone interact. energy: -2.373 local terms energy: -462.841067 where: bonds (distance) C4'-P energy: -104.366 bonds (distance) P-C4' energy: -113.227 flat angles C4'-P-C4' energy: -104.333 flat angles P-C4'-P energy: -61.087 tors. eta vs tors. theta energy: -79.828 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: 7, replica: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1022.988386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.988386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.988386 (E_RNA) where: Base-Base interactions energy: -656.300 where: short stacking energy: -281.871 Base-Backbone interact. energy: 6.540 local terms energy: -373.227879 where: bonds (distance) C4'-P energy: -61.655 bonds (distance) P-C4' energy: -96.761 flat angles C4'-P-C4' energy: -96.444 flat angles P-C4'-P energy: -60.633 tors. eta vs tors. theta energy: -57.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -618.218657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.218657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.218657 (E_RNA) where: Base-Base interactions energy: -301.855 where: short stacking energy: -164.489 Base-Backbone interact. energy: 7.206 local terms energy: -323.568906 where: bonds (distance) C4'-P energy: -87.455 bonds (distance) P-C4' energy: -97.480 flat angles C4'-P-C4' energy: -86.274 flat angles P-C4'-P energy: -48.775 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -446.899856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.899856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.899856 (E_RNA) where: Base-Base interactions energy: -133.204 where: short stacking energy: -114.850 Base-Backbone interact. energy: 1.066 local terms energy: -314.761880 where: bonds (distance) C4'-P energy: -91.529 bonds (distance) P-C4' energy: -100.891 flat angles C4'-P-C4' energy: -90.045 flat angles P-C4'-P energy: -48.230 tors. eta vs tors. theta energy: 15.934 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: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -436.265359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.265359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.265359 (E_RNA) where: Base-Base interactions energy: -155.294 where: short stacking energy: -118.852 Base-Backbone interact. energy: 3.317 local terms energy: -284.288673 where: bonds (distance) C4'-P energy: -94.233 bonds (distance) P-C4' energy: -91.573 flat angles C4'-P-C4' energy: -78.690 flat angles P-C4'-P energy: -43.281 tors. eta vs tors. theta energy: 23.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1922.544160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.544160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.544160 (E_RNA) where: Base-Base interactions energy: -1310.587 where: short stacking energy: -565.158 Base-Backbone interact. energy: -1.221 local terms energy: -610.736177 where: bonds (distance) C4'-P energy: -116.334 bonds (distance) P-C4' energy: -110.766 flat angles C4'-P-C4' energy: -127.078 flat angles P-C4'-P energy: -81.671 tors. eta vs tors. theta energy: -174.887 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: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1817.080910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.080910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.080910 (E_RNA) where: Base-Base interactions energy: -1243.820 where: short stacking energy: -538.421 Base-Backbone interact. energy: -0.386 local terms energy: -572.875507 where: bonds (distance) C4'-P energy: -106.633 bonds (distance) P-C4' energy: -109.886 flat angles C4'-P-C4' energy: -128.854 flat angles P-C4'-P energy: -70.798 tors. eta vs tors. theta energy: -156.704 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: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1582.343002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.343002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.343002 (E_RNA) where: Base-Base interactions energy: -1033.508 where: short stacking energy: -433.453 Base-Backbone interact. energy: -3.459 local terms energy: -545.375677 where: bonds (distance) C4'-P energy: -106.017 bonds (distance) P-C4' energy: -115.773 flat angles C4'-P-C4' energy: -123.378 flat angles P-C4'-P energy: -77.842 tors. eta vs tors. theta energy: -122.365 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: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1545.319930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.319930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.319930 (E_RNA) where: Base-Base interactions energy: -1021.983 where: short stacking energy: -446.774 Base-Backbone interact. energy: -3.875 local terms energy: -519.461065 where: bonds (distance) C4'-P energy: -103.306 bonds (distance) P-C4' energy: -120.308 flat angles C4'-P-C4' energy: -101.849 flat angles P-C4'-P energy: -59.987 tors. eta vs tors. theta energy: -134.012 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: 5, replica: 6 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1474.140740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.140740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.140740 (E_RNA) where: Base-Base interactions energy: -983.636 where: short stacking energy: -385.442 Base-Backbone interact. energy: -3.043 local terms energy: -487.462341 where: bonds (distance) C4'-P energy: -101.393 bonds (distance) P-C4' energy: -106.647 flat angles C4'-P-C4' energy: -106.861 flat angles P-C4'-P energy: -66.867 tors. eta vs tors. theta energy: -105.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1348.537992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.537992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.537992 (E_RNA) where: Base-Base interactions energy: -860.123 where: short stacking energy: -385.877 Base-Backbone interact. energy: 3.264 local terms energy: -491.678422 where: bonds (distance) C4'-P energy: -92.629 bonds (distance) P-C4' energy: -109.597 flat angles C4'-P-C4' energy: -109.432 flat angles P-C4'-P energy: -58.978 tors. eta vs tors. theta energy: -121.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1065.610439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.610439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.610439 (E_RNA) where: Base-Base interactions energy: -657.702 where: short stacking energy: -297.767 Base-Backbone interact. energy: 0.246 local terms energy: -408.154473 where: bonds (distance) C4'-P energy: -95.225 bonds (distance) P-C4' energy: -95.013 flat angles C4'-P-C4' energy: -92.780 flat angles P-C4'-P energy: -61.718 tors. eta vs tors. theta energy: -63.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -645.277530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.277530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.277530 (E_RNA) where: Base-Base interactions energy: -292.164 where: short stacking energy: -181.201 Base-Backbone interact. energy: 4.703 local terms energy: -357.816871 where: bonds (distance) C4'-P energy: -106.990 bonds (distance) P-C4' energy: -91.212 flat angles C4'-P-C4' energy: -90.797 flat angles P-C4'-P energy: -56.905 tors. eta vs tors. theta energy: -11.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -455.567841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.567841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.567841 (E_RNA) where: Base-Base interactions energy: -189.149 where: short stacking energy: -121.597 Base-Backbone interact. energy: 1.146 local terms energy: -267.564740 where: bonds (distance) C4'-P energy: -85.053 bonds (distance) P-C4' energy: -85.178 flat angles C4'-P-C4' energy: -77.875 flat angles P-C4'-P energy: -45.755 tors. eta vs tors. theta energy: 26.296 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: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -431.216451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.216451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.216451 (E_RNA) where: Base-Base interactions energy: -161.675 where: short stacking energy: -137.246 Base-Backbone interact. energy: -1.700 local terms energy: -267.841045 where: bonds (distance) C4'-P energy: -73.823 bonds (distance) P-C4' energy: -95.850 flat angles C4'-P-C4' energy: -63.605 flat angles P-C4'-P energy: -40.265 tors. eta vs tors. theta energy: 5.702 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: 7 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1918.566057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.566057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.566057 (E_RNA) where: Base-Base interactions energy: -1305.174 where: short stacking energy: -565.965 Base-Backbone interact. energy: -2.154 local terms energy: -611.238727 where: bonds (distance) C4'-P energy: -116.373 bonds (distance) P-C4' energy: -106.384 flat angles C4'-P-C4' energy: -127.887 flat angles P-C4'-P energy: -86.506 tors. eta vs tors. theta energy: -174.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1816.863637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.863637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.863637 (E_RNA) where: Base-Base interactions energy: -1243.901 where: short stacking energy: -498.728 Base-Backbone interact. energy: -0.442 local terms energy: -572.521421 where: bonds (distance) C4'-P energy: -107.966 bonds (distance) P-C4' energy: -114.540 flat angles C4'-P-C4' energy: -117.109 flat angles P-C4'-P energy: -82.798 tors. eta vs tors. theta energy: -150.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1613.345931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.345931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.345931 (E_RNA) where: Base-Base interactions energy: -1053.352 where: short stacking energy: -493.351 Base-Backbone interact. energy: -5.534 local terms energy: -554.460209 where: bonds (distance) C4'-P energy: -103.656 bonds (distance) P-C4' energy: -118.959 flat angles C4'-P-C4' energy: -113.970 flat angles P-C4'-P energy: -71.465 tors. eta vs tors. theta energy: -146.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1532.509519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.509519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.509519 (E_RNA) where: Base-Base interactions energy: -1009.059 where: short stacking energy: -435.583 Base-Backbone interact. energy: -3.844 local terms energy: -519.607125 where: bonds (distance) C4'-P energy: -96.576 bonds (distance) P-C4' energy: -108.033 flat angles C4'-P-C4' energy: -119.359 flat angles P-C4'-P energy: -68.766 tors. eta vs tors. theta energy: -126.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1450.356747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.356747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.356747 (E_RNA) where: Base-Base interactions energy: -969.119 where: short stacking energy: -402.279 Base-Backbone interact. energy: 1.435 local terms energy: -482.673310 where: bonds (distance) C4'-P energy: -99.322 bonds (distance) P-C4' energy: -88.786 flat angles C4'-P-C4' energy: -119.940 flat angles P-C4'-P energy: -69.904 tors. eta vs tors. theta energy: -104.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1369.104642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.104642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.104642 (E_RNA) where: Base-Base interactions energy: -891.185 where: short stacking energy: -404.800 Base-Backbone interact. energy: -0.446 local terms energy: -477.473188 where: bonds (distance) C4'-P energy: -102.933 bonds (distance) P-C4' energy: -98.964 flat angles C4'-P-C4' energy: -109.785 flat angles P-C4'-P energy: -58.737 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: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1069.979562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.979562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.979562 (E_RNA) where: Base-Base interactions energy: -636.995 where: short stacking energy: -279.493 Base-Backbone interact. energy: 0.062 local terms energy: -433.046838 where: bonds (distance) C4'-P energy: -81.543 bonds (distance) P-C4' energy: -114.226 flat angles C4'-P-C4' energy: -102.905 flat angles P-C4'-P energy: -69.578 tors. eta vs tors. theta energy: -64.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -611.022289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.022289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.022289 (E_RNA) where: Base-Base interactions energy: -288.741 where: short stacking energy: -185.055 Base-Backbone interact. energy: -2.665 local terms energy: -319.616228 where: bonds (distance) C4'-P energy: -82.459 bonds (distance) P-C4' energy: -95.535 flat angles C4'-P-C4' energy: -87.214 flat angles P-C4'-P energy: -41.203 tors. eta vs tors. theta energy: -13.205 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: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -457.449035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.449035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.449035 (E_RNA) where: Base-Base interactions energy: -152.278 where: short stacking energy: -134.894 Base-Backbone interact. energy: 1.566 local terms energy: -306.736897 where: bonds (distance) C4'-P energy: -86.974 bonds (distance) P-C4' energy: -107.187 flat angles C4'-P-C4' energy: -52.405 flat angles P-C4'-P energy: -60.713 tors. eta vs tors. theta energy: 0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -432.574563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.574563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.574563 (E_RNA) where: Base-Base interactions energy: -136.204 where: short stacking energy: -106.260 Base-Backbone interact. energy: -0.430 local terms energy: -295.940608 where: bonds (distance) C4'-P energy: -87.428 bonds (distance) P-C4' energy: -91.512 flat angles C4'-P-C4' energy: -69.674 flat angles P-C4'-P energy: -63.252 tors. eta vs tors. theta energy: 15.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1939.351427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.351427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.351427 (E_RNA) where: Base-Base interactions energy: -1347.386 where: short stacking energy: -576.547 Base-Backbone interact. energy: -1.042 local terms energy: -590.923846 where: bonds (distance) C4'-P energy: -100.255 bonds (distance) P-C4' energy: -104.053 flat angles C4'-P-C4' energy: -122.172 flat angles P-C4'-P energy: -87.504 tors. eta vs tors. theta energy: -176.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1785.552065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.552065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.552065 (E_RNA) where: Base-Base interactions energy: -1215.622 where: short stacking energy: -509.108 Base-Backbone interact. energy: 1.078 local terms energy: -571.008196 where: bonds (distance) C4'-P energy: -108.105 bonds (distance) P-C4' energy: -115.916 flat angles C4'-P-C4' energy: -118.127 flat angles P-C4'-P energy: -77.124 tors. eta vs tors. theta energy: -151.736 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: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1633.252102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.252102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.252102 (E_RNA) where: Base-Base interactions energy: -1091.965 where: short stacking energy: -466.661 Base-Backbone interact. energy: -0.333 local terms energy: -540.953924 where: bonds (distance) C4'-P energy: -110.902 bonds (distance) P-C4' energy: -91.782 flat angles C4'-P-C4' energy: -115.963 flat angles P-C4'-P energy: -86.705 tors. eta vs tors. theta energy: -135.603 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: 4, replica: 2 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1512.249314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.249314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.249314 (E_RNA) where: Base-Base interactions energy: -1016.311 where: short stacking energy: -436.886 Base-Backbone interact. energy: -2.759 local terms energy: -493.179353 where: bonds (distance) C4'-P energy: -83.399 bonds (distance) P-C4' energy: -95.877 flat angles C4'-P-C4' energy: -119.111 flat angles P-C4'-P energy: -72.116 tors. eta vs tors. theta energy: -122.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1481.532859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.532859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.532859 (E_RNA) where: Base-Base interactions energy: -1009.945 where: short stacking energy: -435.695 Base-Backbone interact. energy: 0.799 local terms energy: -472.386988 where: bonds (distance) C4'-P energy: -91.769 bonds (distance) P-C4' energy: -93.702 flat angles C4'-P-C4' energy: -116.147 flat angles P-C4'-P energy: -64.216 tors. eta vs tors. theta energy: -106.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1317.922248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.922248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.922248 (E_RNA) where: Base-Base interactions energy: -839.800 where: short stacking energy: -369.112 Base-Backbone interact. energy: -1.742 local terms energy: -476.380063 where: bonds (distance) C4'-P energy: -107.694 bonds (distance) P-C4' energy: -116.876 flat angles C4'-P-C4' energy: -95.635 flat angles P-C4'-P energy: -67.950 tors. eta vs tors. theta energy: -88.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1086.926214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.926214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.926214 (E_RNA) where: Base-Base interactions energy: -645.536 where: short stacking energy: -298.377 Base-Backbone interact. energy: -3.269 local terms energy: -438.121215 where: bonds (distance) C4'-P energy: -95.049 bonds (distance) P-C4' energy: -97.420 flat angles C4'-P-C4' energy: -101.276 flat angles P-C4'-P energy: -73.965 tors. eta vs tors. theta energy: -70.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -652.146087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.146087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.146087 (E_RNA) where: Base-Base interactions energy: -343.614 where: short stacking energy: -204.115 Base-Backbone interact. energy: 0.328 local terms energy: -308.860681 where: bonds (distance) C4'-P energy: -98.257 bonds (distance) P-C4' energy: -82.287 flat angles C4'-P-C4' energy: -74.756 flat angles P-C4'-P energy: -43.959 tors. eta vs tors. theta energy: -9.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -456.425453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.425453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.425453 (E_RNA) where: Base-Base interactions energy: -133.217 where: short stacking energy: -104.890 Base-Backbone interact. energy: -2.524 local terms energy: -320.684624 where: bonds (distance) C4'-P energy: -95.232 bonds (distance) P-C4' energy: -100.319 flat angles C4'-P-C4' energy: -75.417 flat angles P-C4'-P energy: -66.708 tors. eta vs tors. theta energy: 16.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -420.748038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.748038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.748038 (E_RNA) where: Base-Base interactions energy: -158.256 where: short stacking energy: -120.250 Base-Backbone interact. energy: -1.457 local terms energy: -261.035382 where: bonds (distance) C4'-P energy: -92.044 bonds (distance) P-C4' energy: -64.741 flat angles C4'-P-C4' energy: -98.208 flat angles P-C4'-P energy: -36.967 tors. eta vs tors. theta energy: 30.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1939.715100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.715100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.715100 (E_RNA) where: Base-Base interactions energy: -1355.848 where: short stacking energy: -565.726 Base-Backbone interact. energy: -2.168 local terms energy: -581.699391 where: bonds (distance) C4'-P energy: -104.177 bonds (distance) P-C4' energy: -111.930 flat angles C4'-P-C4' energy: -121.607 flat angles P-C4'-P energy: -76.857 tors. eta vs tors. theta energy: -167.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1837.657473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.657473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.657473 (E_RNA) where: Base-Base interactions energy: -1266.431 where: short stacking energy: -539.574 Base-Backbone interact. energy: 0.458 local terms energy: -571.683587 where: bonds (distance) C4'-P energy: -111.846 bonds (distance) P-C4' energy: -113.914 flat angles C4'-P-C4' energy: -119.698 flat angles P-C4'-P energy: -76.157 tors. eta vs tors. theta energy: -150.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1622.316625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.316625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.316625 (E_RNA) where: Base-Base interactions energy: -1093.260 where: short stacking energy: -472.541 Base-Backbone interact. energy: -0.944 local terms energy: -528.113024 where: bonds (distance) C4'-P energy: -92.421 bonds (distance) P-C4' energy: -101.825 flat angles C4'-P-C4' energy: -116.819 flat angles P-C4'-P energy: -73.929 tors. eta vs tors. theta energy: -143.119 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: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1528.515931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.515931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.515931 (E_RNA) where: Base-Base interactions energy: -1052.564 where: short stacking energy: -448.811 Base-Backbone interact. energy: 1.415 local terms energy: -477.366907 where: bonds (distance) C4'-P energy: -82.000 bonds (distance) P-C4' energy: -100.704 flat angles C4'-P-C4' energy: -106.804 flat angles P-C4'-P energy: -69.621 tors. eta vs tors. theta energy: -118.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1472.738545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.738545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.738545 (E_RNA) where: Base-Base interactions energy: -999.703 where: short stacking energy: -412.630 Base-Backbone interact. energy: -1.206 local terms energy: -471.829610 where: bonds (distance) C4'-P energy: -83.259 bonds (distance) P-C4' energy: -114.635 flat angles C4'-P-C4' energy: -103.885 flat angles P-C4'-P energy: -64.821 tors. eta vs tors. theta energy: -105.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1323.215731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.215731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.215731 (E_RNA) where: Base-Base interactions energy: -864.475 where: short stacking energy: -374.041 Base-Backbone interact. energy: -0.548 local terms energy: -458.192431 where: bonds (distance) C4'-P energy: -98.884 bonds (distance) P-C4' energy: -99.214 flat angles C4'-P-C4' energy: -101.649 flat angles P-C4'-P energy: -57.198 tors. eta vs tors. theta energy: -101.248 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: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1055.420389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.420389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.420389 (E_RNA) where: Base-Base interactions energy: -596.675 where: short stacking energy: -291.830 Base-Backbone interact. energy: 6.553 local terms energy: -465.298687 where: bonds (distance) C4'-P energy: -107.973 bonds (distance) P-C4' energy: -98.314 flat angles C4'-P-C4' energy: -101.781 flat angles P-C4'-P energy: -84.522 tors. eta vs tors. theta energy: -72.709 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: 8, replica: 10 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -676.973992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.973992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.973992 (E_RNA) where: Base-Base interactions energy: -350.409 where: short stacking energy: -196.016 Base-Backbone interact. energy: 0.006 local terms energy: -326.571752 where: bonds (distance) C4'-P energy: -88.462 bonds (distance) P-C4' energy: -89.281 flat angles C4'-P-C4' energy: -85.070 flat angles P-C4'-P energy: -53.671 tors. eta vs tors. theta energy: -10.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -449.319340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.319340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.319340 (E_RNA) where: Base-Base interactions energy: -192.845 where: short stacking energy: -149.621 Base-Backbone interact. energy: -0.262 local terms energy: -256.212669 where: bonds (distance) C4'-P energy: -72.500 bonds (distance) P-C4' energy: -89.546 flat angles C4'-P-C4' energy: -59.248 flat angles P-C4'-P energy: -42.728 tors. eta vs tors. theta energy: 7.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -423.379662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.379662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.379662 (E_RNA) where: Base-Base interactions energy: -127.401 where: short stacking energy: -109.232 Base-Backbone interact. energy: 0.683 local terms energy: -296.662284 where: bonds (distance) C4'-P energy: -82.504 bonds (distance) P-C4' energy: -97.153 flat angles C4'-P-C4' energy: -89.064 flat angles P-C4'-P energy: -42.266 tors. eta vs tors. theta energy: 14.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1948.813560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.813560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.813560 (E_RNA) where: Base-Base interactions energy: -1349.175 where: short stacking energy: -578.834 Base-Backbone interact. energy: -0.726 local terms energy: -598.912358 where: bonds (distance) C4'-P energy: -109.822 bonds (distance) P-C4' energy: -102.679 flat angles C4'-P-C4' energy: -124.934 flat angles P-C4'-P energy: -91.720 tors. eta vs tors. theta energy: -169.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1830.920323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.920323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.920323 (E_RNA) where: Base-Base interactions energy: -1248.399 where: short stacking energy: -541.757 Base-Backbone interact. energy: 0.624 local terms energy: -583.145373 where: bonds (distance) C4'-P energy: -103.645 bonds (distance) P-C4' energy: -109.762 flat angles C4'-P-C4' energy: -127.282 flat angles P-C4'-P energy: -76.081 tors. eta vs tors. theta energy: -166.375 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: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1656.146849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.146849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.146849 (E_RNA) where: Base-Base interactions energy: -1091.948 where: short stacking energy: -482.062 Base-Backbone interact. energy: -3.678 local terms energy: -560.521227 where: bonds (distance) C4'-P energy: -102.850 bonds (distance) P-C4' energy: -108.499 flat angles C4'-P-C4' energy: -120.263 flat angles P-C4'-P energy: -77.896 tors. eta vs tors. theta energy: -151.013 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: 303 Temperature: 1.050000 Total energy: -1536.714013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.714013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.714013 (E_RNA) where: Base-Base interactions energy: -1009.316 where: short stacking energy: -422.613 Base-Backbone interact. energy: 0.884 local terms energy: -528.282336 where: bonds (distance) C4'-P energy: -99.766 bonds (distance) P-C4' energy: -106.283 flat angles C4'-P-C4' energy: -112.191 flat angles P-C4'-P energy: -82.293 tors. eta vs tors. theta energy: -127.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1443.283515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.283515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.283515 (E_RNA) where: Base-Base interactions energy: -982.813 where: short stacking energy: -408.558 Base-Backbone interact. energy: -0.895 local terms energy: -459.575639 where: bonds (distance) C4'-P energy: -91.991 bonds (distance) P-C4' energy: -95.733 flat angles C4'-P-C4' energy: -103.752 flat angles P-C4'-P energy: -60.461 tors. eta vs tors. theta energy: -107.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1303.855485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.855485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.855485 (E_RNA) where: Base-Base interactions energy: -830.312 where: short stacking energy: -370.257 Base-Backbone interact. energy: -1.171 local terms energy: -472.372428 where: bonds (distance) C4'-P energy: -102.264 bonds (distance) P-C4' energy: -105.526 flat angles C4'-P-C4' energy: -96.098 flat angles P-C4'-P energy: -65.499 tors. eta vs tors. theta energy: -102.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1065.886860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.886860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.886860 (E_RNA) where: Base-Base interactions energy: -652.535 where: short stacking energy: -319.091 Base-Backbone interact. energy: -0.734 local terms energy: -412.618138 where: bonds (distance) C4'-P energy: -86.897 bonds (distance) P-C4' energy: -90.874 flat angles C4'-P-C4' energy: -96.649 flat angles P-C4'-P energy: -62.586 tors. eta vs tors. theta energy: -75.613 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: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -737.676241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.676241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.676241 (E_RNA) where: Base-Base interactions energy: -384.550 where: short stacking energy: -200.989 Base-Backbone interact. energy: -0.011 local terms energy: -353.115653 where: bonds (distance) C4'-P energy: -109.882 bonds (distance) P-C4' energy: -104.886 flat angles C4'-P-C4' energy: -73.834 flat angles P-C4'-P energy: -54.686 tors. eta vs tors. theta energy: -9.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -483.382287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.382287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.382287 (E_RNA) where: Base-Base interactions energy: -227.011 where: short stacking energy: -150.290 Base-Backbone interact. energy: 1.568 local terms energy: -257.939175 where: bonds (distance) C4'-P energy: -60.686 bonds (distance) P-C4' energy: -87.542 flat angles C4'-P-C4' energy: -75.311 flat angles P-C4'-P energy: -36.310 tors. eta vs tors. theta energy: 1.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -424.942668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.942668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.942668 (E_RNA) where: Base-Base interactions energy: -122.660 where: short stacking energy: -103.470 Base-Backbone interact. energy: -0.790 local terms energy: -301.493524 where: bonds (distance) C4'-P energy: -84.058 bonds (distance) P-C4' energy: -84.922 flat angles C4'-P-C4' energy: -73.954 flat angles P-C4'-P energy: -56.887 tors. eta vs tors. theta energy: -1.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1957.175738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.175738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.175738 (E_RNA) where: Base-Base interactions energy: -1347.666 where: short stacking energy: -590.651 Base-Backbone interact. energy: -1.465 local terms energy: -608.044592 where: bonds (distance) C4'-P energy: -106.405 bonds (distance) P-C4' energy: -113.196 flat angles C4'-P-C4' energy: -126.986 flat angles P-C4'-P energy: -85.395 tors. eta vs tors. theta energy: -176.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1851.143922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.143922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.143922 (E_RNA) where: Base-Base interactions energy: -1292.070 where: short stacking energy: -556.076 Base-Backbone interact. energy: 6.019 local terms energy: -565.092995 where: bonds (distance) C4'-P energy: -105.584 bonds (distance) P-C4' energy: -94.391 flat angles C4'-P-C4' energy: -128.014 flat angles P-C4'-P energy: -71.173 tors. eta vs tors. theta energy: -165.932 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: 3, replica: 1 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1642.047356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.047356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.047356 (E_RNA) where: Base-Base interactions energy: -1086.051 where: short stacking energy: -469.949 Base-Backbone interact. energy: -1.598 local terms energy: -554.397947 where: bonds (distance) C4'-P energy: -109.546 bonds (distance) P-C4' energy: -103.113 flat angles C4'-P-C4' energy: -117.427 flat angles P-C4'-P energy: -89.565 tors. eta vs tors. theta energy: -134.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1529.454347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.454347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.454347 (E_RNA) where: Base-Base interactions energy: -1034.515 where: short stacking energy: -445.419 Base-Backbone interact. energy: -1.746 local terms energy: -493.193079 where: bonds (distance) C4'-P energy: -102.929 bonds (distance) P-C4' energy: -97.374 flat angles C4'-P-C4' energy: -109.874 flat angles P-C4'-P energy: -57.456 tors. eta vs tors. theta energy: -125.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1492.177654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.177654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.177654 (E_RNA) where: Base-Base interactions energy: -997.420 where: short stacking energy: -405.272 Base-Backbone interact. energy: -2.383 local terms energy: -492.374361 where: bonds (distance) C4'-P energy: -101.496 bonds (distance) P-C4' energy: -89.269 flat angles C4'-P-C4' energy: -111.521 flat angles P-C4'-P energy: -77.921 tors. eta vs tors. theta energy: -112.168 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: 304 Temperature: 1.150000 Total energy: -1246.802342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.802342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.802342 (E_RNA) where: Base-Base interactions energy: -769.178 where: short stacking energy: -353.980 Base-Backbone interact. energy: -1.932 local terms energy: -475.692379 where: bonds (distance) C4'-P energy: -108.215 bonds (distance) P-C4' energy: -94.655 flat angles C4'-P-C4' energy: -106.264 flat angles P-C4'-P energy: -66.398 tors. eta vs tors. theta energy: -100.160 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: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1042.166867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.166867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.166867 (E_RNA) where: Base-Base interactions energy: -637.559 where: short stacking energy: -299.772 Base-Backbone interact. energy: 1.592 local terms energy: -406.199186 where: bonds (distance) C4'-P energy: -77.399 bonds (distance) P-C4' energy: -107.417 flat angles C4'-P-C4' energy: -109.505 flat angles P-C4'-P energy: -55.356 tors. eta vs tors. theta energy: -56.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -780.159378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.159378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.159378 (E_RNA) where: Base-Base interactions energy: -398.051 where: short stacking energy: -207.530 Base-Backbone interact. energy: 0.141 local terms energy: -382.249876 where: bonds (distance) C4'-P energy: -84.299 bonds (distance) P-C4' energy: -109.981 flat angles C4'-P-C4' energy: -88.565 flat angles P-C4'-P energy: -67.948 tors. eta vs tors. theta energy: -31.458 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: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -509.283564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.283564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.283564 (E_RNA) where: Base-Base interactions energy: -195.688 where: short stacking energy: -134.109 Base-Backbone interact. energy: -0.169 local terms energy: -313.426366 where: bonds (distance) C4'-P energy: -77.782 bonds (distance) P-C4' energy: -90.877 flat angles C4'-P-C4' energy: -90.286 flat angles P-C4'-P energy: -60.769 tors. eta vs tors. theta energy: 6.287 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: 304 Temperature: 1.350000 Total energy: -430.617481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.617481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.617481 (E_RNA) where: Base-Base interactions energy: -154.838 where: short stacking energy: -121.763 Base-Backbone interact. energy: 0.265 local terms energy: -276.043905 where: bonds (distance) C4'-P energy: -93.769 bonds (distance) P-C4' energy: -87.066 flat angles C4'-P-C4' energy: -84.337 flat angles P-C4'-P energy: -35.176 tors. eta vs tors. theta energy: 24.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1953.918920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.918920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.918920 (E_RNA) where: Base-Base interactions energy: -1340.039 where: short stacking energy: -589.823 Base-Backbone interact. energy: -2.668 local terms energy: -611.212743 where: bonds (distance) C4'-P energy: -116.872 bonds (distance) P-C4' energy: -106.615 flat angles C4'-P-C4' energy: -124.536 flat angles P-C4'-P energy: -92.842 tors. eta vs tors. theta energy: -170.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1834.190024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.190024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.190024 (E_RNA) where: Base-Base interactions energy: -1272.236 where: short stacking energy: -527.394 Base-Backbone interact. energy: -1.182 local terms energy: -560.772253 where: bonds (distance) C4'-P energy: -102.578 bonds (distance) P-C4' energy: -114.464 flat angles C4'-P-C4' energy: -108.474 flat angles P-C4'-P energy: -79.800 tors. eta vs tors. theta energy: -155.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1665.142460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.142460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.142460 (E_RNA) where: Base-Base interactions energy: -1123.695 where: short stacking energy: -497.304 Base-Backbone interact. energy: -4.194 local terms energy: -537.253670 where: bonds (distance) C4'-P energy: -102.723 bonds (distance) P-C4' energy: -98.829 flat angles C4'-P-C4' energy: -118.871 flat angles P-C4'-P energy: -73.190 tors. eta vs tors. theta energy: -143.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1545.424220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.424220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.424220 (E_RNA) where: Base-Base interactions energy: -1042.545 where: short stacking energy: -453.741 Base-Backbone interact. energy: 0.782 local terms energy: -503.661552 where: bonds (distance) C4'-P energy: -98.406 bonds (distance) P-C4' energy: -122.293 flat angles C4'-P-C4' energy: -104.497 flat angles P-C4'-P energy: -56.873 tors. eta vs tors. theta energy: -121.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1489.435956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.435956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.435956 (E_RNA) where: Base-Base interactions energy: -974.967 where: short stacking energy: -400.123 Base-Backbone interact. energy: -2.704 local terms energy: -511.765127 where: bonds (distance) C4'-P energy: -110.062 bonds (distance) P-C4' energy: -113.715 flat angles C4'-P-C4' energy: -97.821 flat angles P-C4'-P energy: -80.996 tors. eta vs tors. theta energy: -109.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1293.584863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.584863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.584863 (E_RNA) where: Base-Base interactions energy: -834.693 where: short stacking energy: -387.714 Base-Backbone interact. energy: -1.418 local terms energy: -457.473960 where: bonds (distance) C4'-P energy: -98.492 bonds (distance) P-C4' energy: -111.999 flat angles C4'-P-C4' energy: -103.175 flat angles P-C4'-P energy: -42.995 tors. eta vs tors. theta energy: -100.812 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: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1103.957473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.957473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.957473 (E_RNA) where: Base-Base interactions energy: -703.717 where: short stacking energy: -319.193 Base-Backbone interact. energy: -2.927 local terms energy: -397.313255 where: bonds (distance) C4'-P energy: -94.284 bonds (distance) P-C4' energy: -110.944 flat angles C4'-P-C4' energy: -90.298 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: -50.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -805.319481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.319481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.319481 (E_RNA) where: Base-Base interactions energy: -439.727 where: short stacking energy: -217.852 Base-Backbone interact. energy: -2.471 local terms energy: -363.121447 where: bonds (distance) C4'-P energy: -89.843 bonds (distance) P-C4' energy: -96.164 flat angles C4'-P-C4' energy: -97.575 flat angles P-C4'-P energy: -50.639 tors. eta vs tors. theta energy: -28.900 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: 9, replica: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -514.947456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.947456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.947456 (E_RNA) where: Base-Base interactions energy: -215.803 where: short stacking energy: -118.550 Base-Backbone interact. energy: -1.567 local terms energy: -297.578179 where: bonds (distance) C4'-P energy: -79.825 bonds (distance) P-C4' energy: -99.098 flat angles C4'-P-C4' energy: -77.594 flat angles P-C4'-P energy: -51.761 tors. eta vs tors. theta energy: 10.699 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: 9 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -408.765815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.765815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.765815 (E_RNA) where: Base-Base interactions energy: -126.701 where: short stacking energy: -103.630 Base-Backbone interact. energy: 1.426 local terms energy: -283.490363 where: bonds (distance) C4'-P energy: -97.012 bonds (distance) P-C4' energy: -101.215 flat angles C4'-P-C4' energy: -75.898 flat angles P-C4'-P energy: -43.460 tors. eta vs tors. theta energy: 34.095 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: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1929.118413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.118413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.118413 (E_RNA) where: Base-Base interactions energy: -1319.990 where: short stacking energy: -554.518 Base-Backbone interact. energy: -2.624 local terms energy: -606.504950 where: bonds (distance) C4'-P energy: -104.427 bonds (distance) P-C4' energy: -108.845 flat angles C4'-P-C4' energy: -126.034 flat angles P-C4'-P energy: -92.681 tors. eta vs tors. theta energy: -174.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1820.395572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.395572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.395572 (E_RNA) where: Base-Base interactions energy: -1263.968 where: short stacking energy: -522.449 Base-Backbone interact. energy: -4.497 local terms energy: -551.930403 where: bonds (distance) C4'-P energy: -107.077 bonds (distance) P-C4' energy: -103.326 flat angles C4'-P-C4' energy: -114.895 flat angles P-C4'-P energy: -71.113 tors. eta vs tors. theta energy: -155.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1640.957231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.957231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.957231 (E_RNA) where: Base-Base interactions energy: -1093.299 where: short stacking energy: -492.670 Base-Backbone interact. energy: -3.164 local terms energy: -544.494486 where: bonds (distance) C4'-P energy: -92.837 bonds (distance) P-C4' energy: -109.295 flat angles C4'-P-C4' energy: -114.410 flat angles P-C4'-P energy: -83.383 tors. eta vs tors. theta energy: -144.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1515.915884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.915884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.915884 (E_RNA) where: Base-Base interactions energy: -1014.093 where: short stacking energy: -419.646 Base-Backbone interact. energy: 1.271 local terms energy: -503.093835 where: bonds (distance) C4'-P energy: -75.050 bonds (distance) P-C4' energy: -96.711 flat angles C4'-P-C4' energy: -116.472 flat angles P-C4'-P energy: -93.484 tors. eta vs tors. theta energy: -121.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1462.912560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.912560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.912560 (E_RNA) where: Base-Base interactions energy: -958.168 where: short stacking energy: -396.897 Base-Backbone interact. energy: -2.855 local terms energy: -501.889734 where: bonds (distance) C4'-P energy: -103.874 bonds (distance) P-C4' energy: -106.108 flat angles C4'-P-C4' energy: -111.948 flat angles P-C4'-P energy: -71.660 tors. eta vs tors. theta energy: -108.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1280.410945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.410945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.410945 (E_RNA) where: Base-Base interactions energy: -815.319 where: short stacking energy: -374.159 Base-Backbone interact. energy: -1.227 local terms energy: -463.865618 where: bonds (distance) C4'-P energy: -109.212 bonds (distance) P-C4' energy: -92.992 flat angles C4'-P-C4' energy: -91.434 flat angles P-C4'-P energy: -73.956 tors. eta vs tors. theta energy: -96.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1095.338833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.338833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.338833 (E_RNA) where: Base-Base interactions energy: -693.301 where: short stacking energy: -326.990 Base-Backbone interact. energy: -1.036 local terms energy: -401.002613 where: bonds (distance) C4'-P energy: -89.924 bonds (distance) P-C4' energy: -78.618 flat angles C4'-P-C4' energy: -84.946 flat angles P-C4'-P energy: -66.068 tors. eta vs tors. theta energy: -81.446 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: 8, replica: 10 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -853.030545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.030545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.030545 (E_RNA) where: Base-Base interactions energy: -488.641 where: short stacking energy: -229.961 Base-Backbone interact. energy: -0.738 local terms energy: -363.651839 where: bonds (distance) C4'-P energy: -79.603 bonds (distance) P-C4' energy: -88.129 flat angles C4'-P-C4' energy: -102.839 flat angles P-C4'-P energy: -51.762 tors. eta vs tors. theta energy: -41.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -449.777428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.777428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.777428 (E_RNA) where: Base-Base interactions energy: -160.386 where: short stacking energy: -126.757 Base-Backbone interact. energy: -0.044 local terms energy: -289.347970 where: bonds (distance) C4'-P energy: -90.196 bonds (distance) P-C4' energy: -107.869 flat angles C4'-P-C4' energy: -64.232 flat angles P-C4'-P energy: -44.041 tors. eta vs tors. theta energy: 16.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -423.651744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.651744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.651744 (E_RNA) where: Base-Base interactions energy: -157.206 where: short stacking energy: -120.103 Base-Backbone interact. energy: -0.032 local terms energy: -266.414054 where: bonds (distance) C4'-P energy: -97.848 bonds (distance) P-C4' energy: -91.207 flat angles C4'-P-C4' energy: -62.488 flat angles P-C4'-P energy: -36.587 tors. eta vs tors. theta energy: 21.716 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: 7 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1930.101749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.101749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.101749 (E_RNA) where: Base-Base interactions energy: -1307.193 where: short stacking energy: -558.055 Base-Backbone interact. energy: -1.024 local terms energy: -621.884759 where: bonds (distance) C4'-P energy: -113.768 bonds (distance) P-C4' energy: -122.743 flat angles C4'-P-C4' energy: -120.549 flat angles P-C4'-P energy: -92.784 tors. eta vs tors. theta energy: -172.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1822.572999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.572999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.572999 (E_RNA) where: Base-Base interactions energy: -1268.898 where: short stacking energy: -508.761 Base-Backbone interact. energy: -1.263 local terms energy: -552.412675 where: bonds (distance) C4'-P energy: -112.120 bonds (distance) P-C4' energy: -102.183 flat angles C4'-P-C4' energy: -120.312 flat angles P-C4'-P energy: -65.196 tors. eta vs tors. theta energy: -152.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1603.728950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.728950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.728950 (E_RNA) where: Base-Base interactions energy: -1065.198 where: short stacking energy: -474.853 Base-Backbone interact. energy: -1.681 local terms energy: -536.850025 where: bonds (distance) C4'-P energy: -100.115 bonds (distance) P-C4' energy: -103.838 flat angles C4'-P-C4' energy: -115.268 flat angles P-C4'-P energy: -77.480 tors. eta vs tors. theta energy: -140.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1510.088665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.088665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.088665 (E_RNA) where: Base-Base interactions energy: -991.702 where: short stacking energy: -409.234 Base-Backbone interact. energy: -1.899 local terms energy: -516.487487 where: bonds (distance) C4'-P energy: -84.686 bonds (distance) P-C4' energy: -118.370 flat angles C4'-P-C4' energy: -112.925 flat angles P-C4'-P energy: -79.193 tors. eta vs tors. theta energy: -121.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1452.421837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.421837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.421837 (E_RNA) where: Base-Base interactions energy: -971.787 where: short stacking energy: -394.962 Base-Backbone interact. energy: -1.375 local terms energy: -479.259285 where: bonds (distance) C4'-P energy: -100.873 bonds (distance) P-C4' energy: -97.127 flat angles C4'-P-C4' energy: -95.929 flat angles P-C4'-P energy: -80.517 tors. eta vs tors. theta energy: -104.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1311.419704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.419704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.419704 (E_RNA) where: Base-Base interactions energy: -835.603 where: short stacking energy: -373.189 Base-Backbone interact. energy: 2.306 local terms energy: -478.122439 where: bonds (distance) C4'-P energy: -96.421 bonds (distance) P-C4' energy: -104.834 flat angles C4'-P-C4' energy: -92.566 flat angles P-C4'-P energy: -60.893 tors. eta vs tors. theta energy: -123.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1048.483309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.483309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.483309 (E_RNA) where: Base-Base interactions energy: -628.634 where: short stacking energy: -309.970 Base-Backbone interact. energy: -3.480 local terms energy: -416.368878 where: bonds (distance) C4'-P energy: -95.672 bonds (distance) P-C4' energy: -100.429 flat angles C4'-P-C4' energy: -100.370 flat angles P-C4'-P energy: -64.443 tors. eta vs tors. theta energy: -55.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -823.774217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.774217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.774217 (E_RNA) where: Base-Base interactions energy: -475.466 where: short stacking energy: -226.171 Base-Backbone interact. energy: -2.025 local terms energy: -346.283199 where: bonds (distance) C4'-P energy: -83.366 bonds (distance) P-C4' energy: -90.740 flat angles C4'-P-C4' energy: -81.551 flat angles P-C4'-P energy: -59.321 tors. eta vs tors. theta energy: -31.304 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: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -454.034191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.034191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.034191 (E_RNA) where: Base-Base interactions energy: -161.089 where: short stacking energy: -141.648 Base-Backbone interact. energy: -3.773 local terms energy: -289.171660 where: bonds (distance) C4'-P energy: -91.776 bonds (distance) P-C4' energy: -99.009 flat angles C4'-P-C4' energy: -75.659 flat angles P-C4'-P energy: -44.035 tors. eta vs tors. theta energy: 21.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -427.645121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.645121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.645121 (E_RNA) where: Base-Base interactions energy: -170.930 where: short stacking energy: -122.396 Base-Backbone interact. energy: -0.300 local terms energy: -256.414862 where: bonds (distance) C4'-P energy: -89.997 bonds (distance) P-C4' energy: -78.307 flat angles C4'-P-C4' energy: -89.041 flat angles P-C4'-P energy: -29.672 tors. eta vs tors. theta energy: 30.603 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: 308 Temperature: 0.900000 Total energy: -1932.278082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.278082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.278082 (E_RNA) where: Base-Base interactions energy: -1317.282 where: short stacking energy: -567.310 Base-Backbone interact. energy: -2.378 local terms energy: -612.617446 where: bonds (distance) C4'-P energy: -104.982 bonds (distance) P-C4' energy: -113.203 flat angles C4'-P-C4' energy: -128.372 flat angles P-C4'-P energy: -95.160 tors. eta vs tors. theta energy: -170.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1838.643985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.643985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.643985 (E_RNA) where: Base-Base interactions energy: -1255.583 where: short stacking energy: -518.260 Base-Backbone interact. energy: 1.067 local terms energy: -584.128105 where: bonds (distance) C4'-P energy: -104.216 bonds (distance) P-C4' energy: -107.451 flat angles C4'-P-C4' energy: -131.608 flat angles P-C4'-P energy: -83.477 tors. eta vs tors. theta energy: -157.376 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: 1 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1668.610480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.610480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.610480 (E_RNA) where: Base-Base interactions energy: -1126.058 where: short stacking energy: -482.830 Base-Backbone interact. energy: -2.773 local terms energy: -539.779188 where: bonds (distance) C4'-P energy: -89.269 bonds (distance) P-C4' energy: -105.279 flat angles C4'-P-C4' energy: -124.046 flat angles P-C4'-P energy: -70.732 tors. eta vs tors. theta energy: -150.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1486.317903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.317903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.317903 (E_RNA) where: Base-Base interactions energy: -1000.780 where: short stacking energy: -446.155 Base-Backbone interact. energy: -1.723 local terms energy: -483.814842 where: bonds (distance) C4'-P energy: -93.584 bonds (distance) P-C4' energy: -99.260 flat angles C4'-P-C4' energy: -109.145 flat angles P-C4'-P energy: -71.882 tors. eta vs tors. theta energy: -109.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1480.906566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.906566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.906566 (E_RNA) where: Base-Base interactions energy: -1008.506 where: short stacking energy: -407.401 Base-Backbone interact. energy: -4.318 local terms energy: -468.081630 where: bonds (distance) C4'-P energy: -101.104 bonds (distance) P-C4' energy: -106.656 flat angles C4'-P-C4' energy: -101.002 flat angles P-C4'-P energy: -69.234 tors. eta vs tors. theta energy: -90.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1278.300817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.300817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.300817 (E_RNA) where: Base-Base interactions energy: -825.634 where: short stacking energy: -364.534 Base-Backbone interact. energy: -0.074 local terms energy: -452.593062 where: bonds (distance) C4'-P energy: -100.187 bonds (distance) P-C4' energy: -86.978 flat angles C4'-P-C4' energy: -98.731 flat angles P-C4'-P energy: -64.419 tors. eta vs tors. theta energy: -102.278 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: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1062.136067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.136067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.136067 (E_RNA) where: Base-Base interactions energy: -632.760 where: short stacking energy: -305.941 Base-Backbone interact. energy: -1.735 local terms energy: -427.640670 where: bonds (distance) C4'-P energy: -100.024 bonds (distance) P-C4' energy: -96.485 flat angles C4'-P-C4' energy: -101.855 flat angles P-C4'-P energy: -48.421 tors. eta vs tors. theta energy: -80.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -813.725446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.725446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.725446 (E_RNA) where: Base-Base interactions energy: -453.652 where: short stacking energy: -226.824 Base-Backbone interact. energy: 1.519 local terms energy: -361.591959 where: bonds (distance) C4'-P energy: -79.247 bonds (distance) P-C4' energy: -102.517 flat angles C4'-P-C4' energy: -88.762 flat angles P-C4'-P energy: -60.414 tors. eta vs tors. theta energy: -30.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -482.092349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.092349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.092349 (E_RNA) where: Base-Base interactions energy: -184.713 where: short stacking energy: -135.747 Base-Backbone interact. energy: 3.717 local terms energy: -301.097212 where: bonds (distance) C4'-P energy: -81.733 bonds (distance) P-C4' energy: -89.669 flat angles C4'-P-C4' energy: -96.233 flat angles P-C4'-P energy: -47.750 tors. eta vs tors. theta energy: 14.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -416.536515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.536515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.536515 (E_RNA) where: Base-Base interactions energy: -145.611 where: short stacking energy: -116.227 Base-Backbone interact. energy: -3.432 local terms energy: -267.492930 where: bonds (distance) C4'-P energy: -83.298 bonds (distance) P-C4' energy: -91.608 flat angles C4'-P-C4' energy: -67.291 flat angles P-C4'-P energy: -37.510 tors. eta vs tors. theta energy: 12.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1918.070017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.070017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.070017 (E_RNA) where: Base-Base interactions energy: -1307.546 where: short stacking energy: -564.195 Base-Backbone interact. energy: -1.096 local terms energy: -609.427868 where: bonds (distance) C4'-P energy: -113.571 bonds (distance) P-C4' energy: -104.253 flat angles C4'-P-C4' energy: -127.093 flat angles P-C4'-P energy: -93.047 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: 2, replica: 3 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1883.049396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.049396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.049396 (E_RNA) where: Base-Base interactions energy: -1310.451 where: short stacking energy: -533.246 Base-Backbone interact. energy: 1.889 local terms energy: -574.487312 where: bonds (distance) C4'-P energy: -91.746 bonds (distance) P-C4' energy: -114.517 flat angles C4'-P-C4' energy: -128.341 flat angles P-C4'-P energy: -80.135 tors. eta vs tors. theta energy: -159.749 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: 1 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1688.921710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.921710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.921710 (E_RNA) where: Base-Base interactions energy: -1122.194 where: short stacking energy: -478.164 Base-Backbone interact. energy: -1.937 local terms energy: -564.791281 where: bonds (distance) C4'-P energy: -102.431 bonds (distance) P-C4' energy: -110.525 flat angles C4'-P-C4' energy: -123.301 flat angles P-C4'-P energy: -80.290 tors. eta vs tors. theta energy: -148.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1540.037773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.037773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.037773 (E_RNA) where: Base-Base interactions energy: -1014.709 where: short stacking energy: -425.954 Base-Backbone interact. energy: -3.436 local terms energy: -521.892736 where: bonds (distance) C4'-P energy: -105.910 bonds (distance) P-C4' energy: -107.477 flat angles C4'-P-C4' energy: -112.029 flat angles P-C4'-P energy: -83.336 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: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1444.805554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.805554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.805554 (E_RNA) where: Base-Base interactions energy: -950.724 where: short stacking energy: -409.109 Base-Backbone interact. energy: -1.373 local terms energy: -492.707788 where: bonds (distance) C4'-P energy: -103.091 bonds (distance) P-C4' energy: -107.373 flat angles C4'-P-C4' energy: -106.215 flat angles P-C4'-P energy: -68.237 tors. eta vs tors. theta energy: -107.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1255.403186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.403186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.403186 (E_RNA) where: Base-Base interactions energy: -813.721 where: short stacking energy: -361.214 Base-Backbone interact. energy: 0.635 local terms energy: -442.316790 where: bonds (distance) C4'-P energy: -88.804 bonds (distance) P-C4' energy: -97.172 flat angles C4'-P-C4' energy: -108.436 flat angles P-C4'-P energy: -53.941 tors. eta vs tors. theta energy: -93.964 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: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1079.185726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.185726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.185726 (E_RNA) where: Base-Base interactions energy: -677.296 where: short stacking energy: -311.406 Base-Backbone interact. energy: -1.922 local terms energy: -399.967276 where: bonds (distance) C4'-P energy: -95.534 bonds (distance) P-C4' energy: -103.112 flat angles C4'-P-C4' energy: -66.085 flat angles P-C4'-P energy: -68.298 tors. eta vs tors. theta energy: -66.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -809.990064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.990064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.990064 (E_RNA) where: Base-Base interactions energy: -467.876 where: short stacking energy: -231.059 Base-Backbone interact. energy: 1.332 local terms energy: -343.446266 where: bonds (distance) C4'-P energy: -90.910 bonds (distance) P-C4' energy: -85.944 flat angles C4'-P-C4' energy: -95.832 flat angles P-C4'-P energy: -46.463 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: 9, replica: 4 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -498.261377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.261377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.261377 (E_RNA) where: Base-Base interactions energy: -177.891 where: short stacking energy: -144.082 Base-Backbone interact. energy: -0.436 local terms energy: -319.934159 where: bonds (distance) C4'-P energy: -69.224 bonds (distance) P-C4' energy: -90.982 flat angles C4'-P-C4' energy: -75.271 flat angles P-C4'-P energy: -69.375 tors. eta vs tors. theta energy: -15.082 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: 309 Temperature: 1.350000 Total energy: -415.008389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.008389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.008389 (E_RNA) where: Base-Base interactions energy: -132.164 where: short stacking energy: -114.628 Base-Backbone interact. energy: -2.351 local terms energy: -280.494258 where: bonds (distance) C4'-P energy: -97.812 bonds (distance) P-C4' energy: -104.623 flat angles C4'-P-C4' energy: -61.479 flat angles P-C4'-P energy: -40.197 tors. eta vs tors. theta energy: 23.617 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: 7 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1900.018557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.018557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.018557 (E_RNA) where: Base-Base interactions energy: -1282.796 where: short stacking energy: -542.145 Base-Backbone interact. energy: -2.518 local terms energy: -614.704291 where: bonds (distance) C4'-P energy: -118.141 bonds (distance) P-C4' energy: -101.097 flat angles C4'-P-C4' energy: -132.524 flat angles P-C4'-P energy: -94.400 tors. eta vs tors. theta energy: -168.543 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: 2, replica: 3 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1880.629985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.629985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.629985 (E_RNA) where: Base-Base interactions energy: -1282.329 where: short stacking energy: -530.740 Base-Backbone interact. energy: -0.897 local terms energy: -597.403454 where: bonds (distance) C4'-P energy: -108.029 bonds (distance) P-C4' energy: -105.761 flat angles C4'-P-C4' energy: -123.174 flat angles P-C4'-P energy: -86.469 tors. eta vs tors. theta energy: -173.970 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: 1 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1636.293049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.293049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.293049 (E_RNA) where: Base-Base interactions energy: -1121.419 where: short stacking energy: -472.560 Base-Backbone interact. energy: 0.722 local terms energy: -515.595612 where: bonds (distance) C4'-P energy: -99.471 bonds (distance) P-C4' energy: -100.513 flat angles C4'-P-C4' energy: -109.384 flat angles P-C4'-P energy: -76.174 tors. eta vs tors. theta energy: -130.053 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: 310 Temperature: 1.050000 Total energy: -1505.486975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.486975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.486975 (E_RNA) where: Base-Base interactions energy: -1038.720 where: short stacking energy: -430.849 Base-Backbone interact. energy: -2.501 local terms energy: -464.266208 where: bonds (distance) C4'-P energy: -90.138 bonds (distance) P-C4' energy: -95.878 flat angles C4'-P-C4' energy: -109.834 flat angles P-C4'-P energy: -55.025 tors. eta vs tors. theta energy: -113.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1440.129168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.129168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.129168 (E_RNA) where: Base-Base interactions energy: -973.556 where: short stacking energy: -394.454 Base-Backbone interact. energy: -1.537 local terms energy: -465.036489 where: bonds (distance) C4'-P energy: -95.782 bonds (distance) P-C4' energy: -86.271 flat angles C4'-P-C4' energy: -101.609 flat angles P-C4'-P energy: -75.492 tors. eta vs tors. theta energy: -105.881 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: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1303.760825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.760825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.760825 (E_RNA) where: Base-Base interactions energy: -845.063 where: short stacking energy: -365.431 Base-Backbone interact. energy: -2.205 local terms energy: -456.492350 where: bonds (distance) C4'-P energy: -96.054 bonds (distance) P-C4' energy: -108.632 flat angles C4'-P-C4' energy: -105.412 flat angles P-C4'-P energy: -54.206 tors. eta vs tors. theta energy: -92.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1039.375243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.375243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.375243 (E_RNA) where: Base-Base interactions energy: -659.998 where: short stacking energy: -320.651 Base-Backbone interact. energy: -0.668 local terms energy: -378.710090 where: bonds (distance) C4'-P energy: -93.847 bonds (distance) P-C4' energy: -79.658 flat angles C4'-P-C4' energy: -96.095 flat angles P-C4'-P energy: -52.198 tors. eta vs tors. theta energy: -56.912 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: 310 Temperature: 1.250000 Total energy: -798.762489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.762489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.762489 (E_RNA) where: Base-Base interactions energy: -424.976 where: short stacking energy: -203.358 Base-Backbone interact. energy: 0.270 local terms energy: -374.056213 where: bonds (distance) C4'-P energy: -82.203 bonds (distance) P-C4' energy: -108.841 flat angles C4'-P-C4' energy: -96.733 flat angles P-C4'-P energy: -58.290 tors. eta vs tors. theta energy: -27.989 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: 310 Temperature: 1.300000 Total energy: -460.105095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.105095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.105095 (E_RNA) where: Base-Base interactions energy: -164.559 where: short stacking energy: -118.228 Base-Backbone interact. energy: 0.034 local terms energy: -295.580461 where: bonds (distance) C4'-P energy: -101.832 bonds (distance) P-C4' energy: -81.873 flat angles C4'-P-C4' energy: -73.674 flat angles P-C4'-P energy: -47.893 tors. eta vs tors. theta energy: 9.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -430.161652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.161652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.161652 (E_RNA) where: Base-Base interactions energy: -147.828 where: short stacking energy: -112.650 Base-Backbone interact. energy: 0.477 local terms energy: -282.809970 where: bonds (distance) C4'-P energy: -83.848 bonds (distance) P-C4' energy: -91.253 flat angles C4'-P-C4' energy: -80.470 flat angles P-C4'-P energy: -47.066 tors. eta vs tors. theta energy: 19.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1927.357008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.357008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.357008 (E_RNA) where: Base-Base interactions energy: -1321.705 where: short stacking energy: -569.200 Base-Backbone interact. energy: -2.308 local terms energy: -603.343393 where: bonds (distance) C4'-P energy: -106.834 bonds (distance) P-C4' energy: -109.913 flat angles C4'-P-C4' energy: -128.021 flat angles P-C4'-P energy: -88.678 tors. eta vs tors. theta energy: -169.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1854.404296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.404296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.404296 (E_RNA) where: Base-Base interactions energy: -1258.375 where: short stacking energy: -534.712 Base-Backbone interact. energy: -1.854 local terms energy: -594.174853 where: bonds (distance) C4'-P energy: -119.091 bonds (distance) P-C4' energy: -111.576 flat angles C4'-P-C4' energy: -123.085 flat angles P-C4'-P energy: -77.025 tors. eta vs tors. theta energy: -163.398 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: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1643.399532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.399532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.399532 (E_RNA) where: Base-Base interactions energy: -1102.529 where: short stacking energy: -474.132 Base-Backbone interact. energy: -1.079 local terms energy: -539.791214 where: bonds (distance) C4'-P energy: -104.796 bonds (distance) P-C4' energy: -103.887 flat angles C4'-P-C4' energy: -121.393 flat angles P-C4'-P energy: -74.461 tors. eta vs tors. theta energy: -135.254 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: 311 Temperature: 1.050000 Total energy: -1503.061727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.061727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.061727 (E_RNA) where: Base-Base interactions energy: -978.764 where: short stacking energy: -448.105 Base-Backbone interact. energy: 0.034 local terms energy: -524.330963 where: bonds (distance) C4'-P energy: -93.499 bonds (distance) P-C4' energy: -112.790 flat angles C4'-P-C4' energy: -110.719 flat angles P-C4'-P energy: -74.999 tors. eta vs tors. theta energy: -132.324 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: 6 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1464.887738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.887738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.887738 (E_RNA) where: Base-Base interactions energy: -962.296 where: short stacking energy: -419.554 Base-Backbone interact. energy: -2.893 local terms energy: -499.698620 where: bonds (distance) C4'-P energy: -87.782 bonds (distance) P-C4' energy: -102.871 flat angles C4'-P-C4' energy: -108.685 flat angles P-C4'-P energy: -74.503 tors. eta vs tors. theta energy: -125.859 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: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1292.157700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.157700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.157700 (E_RNA) where: Base-Base interactions energy: -813.578 where: short stacking energy: -368.085 Base-Backbone interact. energy: -0.433 local terms energy: -478.145927 where: bonds (distance) C4'-P energy: -115.999 bonds (distance) P-C4' energy: -101.589 flat angles C4'-P-C4' energy: -108.510 flat angles P-C4'-P energy: -59.260 tors. eta vs tors. theta energy: -92.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1023.868667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.868667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.868667 (E_RNA) where: Base-Base interactions energy: -611.172 where: short stacking energy: -301.869 Base-Backbone interact. energy: 3.709 local terms energy: -416.405920 where: bonds (distance) C4'-P energy: -87.119 bonds (distance) P-C4' energy: -101.949 flat angles C4'-P-C4' energy: -103.851 flat angles P-C4'-P energy: -64.084 tors. eta vs tors. theta energy: -59.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -795.928784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.928784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.928784 (E_RNA) where: Base-Base interactions energy: -430.697 where: short stacking energy: -218.737 Base-Backbone interact. energy: -0.210 local terms energy: -365.021819 where: bonds (distance) C4'-P energy: -106.149 bonds (distance) P-C4' energy: -77.975 flat angles C4'-P-C4' energy: -86.942 flat angles P-C4'-P energy: -56.839 tors. eta vs tors. theta energy: -37.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -491.035520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.035520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.035520 (E_RNA) where: Base-Base interactions energy: -182.669 where: short stacking energy: -139.944 Base-Backbone interact. energy: 3.968 local terms energy: -312.334050 where: bonds (distance) C4'-P energy: -97.302 bonds (distance) P-C4' energy: -87.759 flat angles C4'-P-C4' energy: -87.318 flat angles P-C4'-P energy: -55.952 tors. eta vs tors. theta energy: 15.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -450.907060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.907060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.907060 (E_RNA) where: Base-Base interactions energy: -153.132 where: short stacking energy: -121.111 Base-Backbone interact. energy: 4.889 local terms energy: -302.664277 where: bonds (distance) C4'-P energy: -77.746 bonds (distance) P-C4' energy: -109.243 flat angles C4'-P-C4' energy: -77.292 flat angles P-C4'-P energy: -53.812 tors. eta vs tors. theta energy: 15.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1923.173108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.173108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.173108 (E_RNA) where: Base-Base interactions energy: -1315.053 where: short stacking energy: -557.859 Base-Backbone interact. energy: -3.142 local terms energy: -604.978631 where: bonds (distance) C4'-P energy: -94.519 bonds (distance) P-C4' energy: -118.918 flat angles C4'-P-C4' energy: -128.934 flat angles P-C4'-P energy: -94.333 tors. eta vs tors. theta energy: -168.274 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: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1866.344160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.344160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.344160 (E_RNA) where: Base-Base interactions energy: -1287.633 where: short stacking energy: -534.100 Base-Backbone interact. energy: -2.383 local terms energy: -576.328215 where: bonds (distance) C4'-P energy: -102.828 bonds (distance) P-C4' energy: -119.156 flat angles C4'-P-C4' energy: -124.842 flat angles P-C4'-P energy: -80.215 tors. eta vs tors. theta energy: -149.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1616.977384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.977384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.977384 (E_RNA) where: Base-Base interactions energy: -1063.355 where: short stacking energy: -476.877 Base-Backbone interact. energy: -3.663 local terms energy: -549.959199 where: bonds (distance) C4'-P energy: -106.115 bonds (distance) P-C4' energy: -108.280 flat angles C4'-P-C4' energy: -122.881 flat angles P-C4'-P energy: -76.667 tors. eta vs tors. theta energy: -136.016 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: 312 Temperature: 1.050000 Total energy: -1479.077585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.077585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.077585 (E_RNA) where: Base-Base interactions energy: -947.807 where: short stacking energy: -411.048 Base-Backbone interact. energy: -4.755 local terms energy: -526.514789 where: bonds (distance) C4'-P energy: -103.720 bonds (distance) P-C4' energy: -108.276 flat angles C4'-P-C4' energy: -111.848 flat angles P-C4'-P energy: -81.155 tors. eta vs tors. theta energy: -121.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1435.594302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.594302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.594302 (E_RNA) where: Base-Base interactions energy: -956.341 where: short stacking energy: -391.740 Base-Backbone interact. energy: -1.087 local terms energy: -478.166537 where: bonds (distance) C4'-P energy: -103.269 bonds (distance) P-C4' energy: -98.182 flat angles C4'-P-C4' energy: -99.418 flat angles P-C4'-P energy: -72.309 tors. eta vs tors. theta energy: -104.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1303.369432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.369432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.369432 (E_RNA) where: Base-Base interactions energy: -853.701 where: short stacking energy: -381.895 Base-Backbone interact. energy: 0.480 local terms energy: -450.148711 where: bonds (distance) C4'-P energy: -93.381 bonds (distance) P-C4' energy: -105.691 flat angles C4'-P-C4' energy: -93.889 flat angles P-C4'-P energy: -44.081 tors. eta vs tors. theta energy: -113.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1071.649874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.649874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.649874 (E_RNA) where: Base-Base interactions energy: -673.832 where: short stacking energy: -296.788 Base-Backbone interact. energy: -0.812 local terms energy: -397.005747 where: bonds (distance) C4'-P energy: -92.476 bonds (distance) P-C4' energy: -101.056 flat angles C4'-P-C4' energy: -85.010 flat angles P-C4'-P energy: -59.617 tors. eta vs tors. theta energy: -58.847 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: 312 Temperature: 1.250000 Total energy: -782.021388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.021388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.021388 (E_RNA) where: Base-Base interactions energy: -451.459 where: short stacking energy: -227.570 Base-Backbone interact. energy: 0.674 local terms energy: -331.235923 where: bonds (distance) C4'-P energy: -93.336 bonds (distance) P-C4' energy: -107.165 flat angles C4'-P-C4' energy: -79.303 flat angles P-C4'-P energy: -36.260 tors. eta vs tors. theta energy: -15.171 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: 4 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -470.753834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.753834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.753834 (E_RNA) where: Base-Base interactions energy: -173.749 where: short stacking energy: -113.942 Base-Backbone interact. energy: 1.700 local terms energy: -298.704689 where: bonds (distance) C4'-P energy: -89.363 bonds (distance) P-C4' energy: -95.725 flat angles C4'-P-C4' energy: -84.423 flat angles P-C4'-P energy: -37.476 tors. eta vs tors. theta energy: 8.282 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: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -402.867898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.867898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.867898 (E_RNA) where: Base-Base interactions energy: -126.946 where: short stacking energy: -112.954 Base-Backbone interact. energy: -0.038 local terms energy: -275.883217 where: bonds (distance) C4'-P energy: -83.930 bonds (distance) P-C4' energy: -98.030 flat angles C4'-P-C4' energy: -69.971 flat angles P-C4'-P energy: -41.706 tors. eta vs tors. theta energy: 17.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1915.781209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.781209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.781209 (E_RNA) where: Base-Base interactions energy: -1317.789 where: short stacking energy: -556.295 Base-Backbone interact. energy: -2.492 local terms energy: -595.499623 where: bonds (distance) C4'-P energy: -106.934 bonds (distance) P-C4' energy: -109.517 flat angles C4'-P-C4' energy: -113.734 flat angles P-C4'-P energy: -95.917 tors. eta vs tors. theta energy: -169.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1869.894253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.894253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.894253 (E_RNA) where: Base-Base interactions energy: -1291.975 where: short stacking energy: -527.326 Base-Backbone interact. energy: -5.067 local terms energy: -572.852158 where: bonds (distance) C4'-P energy: -103.477 bonds (distance) P-C4' energy: -104.668 flat angles C4'-P-C4' energy: -110.898 flat angles P-C4'-P energy: -86.158 tors. eta vs tors. theta energy: -167.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1661.656608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.656608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.656608 (E_RNA) where: Base-Base interactions energy: -1108.840 where: short stacking energy: -473.487 Base-Backbone interact. energy: -0.457 local terms energy: -552.359332 where: bonds (distance) C4'-P energy: -104.928 bonds (distance) P-C4' energy: -106.232 flat angles C4'-P-C4' energy: -121.659 flat angles P-C4'-P energy: -77.628 tors. eta vs tors. theta energy: -141.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1512.269952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.269952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.269952 (E_RNA) where: Base-Base interactions energy: -988.405 where: short stacking energy: -442.965 Base-Backbone interact. energy: -2.328 local terms energy: -521.537335 where: bonds (distance) C4'-P energy: -87.827 bonds (distance) P-C4' energy: -115.154 flat angles C4'-P-C4' energy: -119.417 flat angles P-C4'-P energy: -71.752 tors. eta vs tors. theta energy: -127.387 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: 6 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1461.931287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.931287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.931287 (E_RNA) where: Base-Base interactions energy: -1000.869 where: short stacking energy: -413.863 Base-Backbone interact. energy: -1.791 local terms energy: -459.271434 where: bonds (distance) C4'-P energy: -91.770 bonds (distance) P-C4' energy: -94.139 flat angles C4'-P-C4' energy: -107.070 flat angles P-C4'-P energy: -69.038 tors. eta vs tors. theta energy: -97.254 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: 313 Temperature: 1.150000 Total energy: -1328.918658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.918658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.918658 (E_RNA) where: Base-Base interactions energy: -847.624 where: short stacking energy: -375.784 Base-Backbone interact. energy: -2.557 local terms energy: -478.737976 where: bonds (distance) C4'-P energy: -99.952 bonds (distance) P-C4' energy: -97.832 flat angles C4'-P-C4' energy: -112.781 flat angles P-C4'-P energy: -63.519 tors. eta vs tors. theta energy: -104.653 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: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1063.409475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.409475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.409475 (E_RNA) where: Base-Base interactions energy: -640.163 where: short stacking energy: -279.373 Base-Backbone interact. energy: -2.502 local terms energy: -420.744644 where: bonds (distance) C4'-P energy: -106.391 bonds (distance) P-C4' energy: -97.447 flat angles C4'-P-C4' energy: -100.139 flat angles P-C4'-P energy: -53.406 tors. eta vs tors. theta energy: -63.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -808.312363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.312363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.312363 (E_RNA) where: Base-Base interactions energy: -449.642 where: short stacking energy: -192.003 Base-Backbone interact. energy: -1.780 local terms energy: -356.890424 where: bonds (distance) C4'-P energy: -99.621 bonds (distance) P-C4' energy: -93.750 flat angles C4'-P-C4' energy: -102.812 flat angles P-C4'-P energy: -55.631 tors. eta vs tors. theta energy: -5.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -454.379811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.379811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.379811 (E_RNA) where: Base-Base interactions energy: -151.826 where: short stacking energy: -108.350 Base-Backbone interact. energy: -0.339 local terms energy: -302.215041 where: bonds (distance) C4'-P energy: -95.080 bonds (distance) P-C4' energy: -95.684 flat angles C4'-P-C4' energy: -84.417 flat angles P-C4'-P energy: -45.457 tors. eta vs tors. theta energy: 18.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -408.875936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.875936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.875936 (E_RNA) where: Base-Base interactions energy: -125.870 where: short stacking energy: -87.331 Base-Backbone interact. energy: -0.106 local terms energy: -282.899847 where: bonds (distance) C4'-P energy: -95.318 bonds (distance) P-C4' energy: -114.654 flat angles C4'-P-C4' energy: -69.689 flat angles P-C4'-P energy: -34.979 tors. eta vs tors. theta energy: 31.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1918.140963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.140963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.140963 (E_RNA) where: Base-Base interactions energy: -1334.092 where: short stacking energy: -559.243 Base-Backbone interact. energy: -1.262 local terms energy: -582.787016 where: bonds (distance) C4'-P energy: -105.124 bonds (distance) P-C4' energy: -98.502 flat angles C4'-P-C4' energy: -129.468 flat angles P-C4'-P energy: -80.208 tors. eta vs tors. theta energy: -169.484 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: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1868.710049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.710049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.710049 (E_RNA) where: Base-Base interactions energy: -1283.526 where: short stacking energy: -535.715 Base-Backbone interact. energy: -0.464 local terms energy: -584.720262 where: bonds (distance) C4'-P energy: -103.894 bonds (distance) P-C4' energy: -116.388 flat angles C4'-P-C4' energy: -121.740 flat angles P-C4'-P energy: -74.581 tors. eta vs tors. theta energy: -168.118 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: 1 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1649.137213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.137213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.137213 (E_RNA) where: Base-Base interactions energy: -1122.531 where: short stacking energy: -493.681 Base-Backbone interact. energy: -5.379 local terms energy: -521.226683 where: bonds (distance) C4'-P energy: -111.161 bonds (distance) P-C4' energy: -73.133 flat angles C4'-P-C4' energy: -112.264 flat angles P-C4'-P energy: -78.948 tors. eta vs tors. theta energy: -145.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1472.246632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.246632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.246632 (E_RNA) where: Base-Base interactions energy: -964.591 where: short stacking energy: -407.077 Base-Backbone interact. energy: -2.617 local terms energy: -505.038534 where: bonds (distance) C4'-P energy: -112.790 bonds (distance) P-C4' energy: -109.752 flat angles C4'-P-C4' energy: -110.019 flat angles P-C4'-P energy: -63.785 tors. eta vs tors. theta energy: -108.692 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: 5, replica: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1465.336134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.336134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.336134 (E_RNA) where: Base-Base interactions energy: -967.487 where: short stacking energy: -414.348 Base-Backbone interact. energy: 1.302 local terms energy: -499.151303 where: bonds (distance) C4'-P energy: -112.732 bonds (distance) P-C4' energy: -108.301 flat angles C4'-P-C4' energy: -102.593 flat angles P-C4'-P energy: -71.933 tors. eta vs tors. theta energy: -103.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1268.118942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.118942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.118942 (E_RNA) where: Base-Base interactions energy: -823.440 where: short stacking energy: -356.877 Base-Backbone interact. energy: 1.064 local terms energy: -445.742717 where: bonds (distance) C4'-P energy: -92.076 bonds (distance) P-C4' energy: -106.106 flat angles C4'-P-C4' energy: -102.780 flat angles P-C4'-P energy: -56.920 tors. eta vs tors. theta energy: -87.861 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: 314 Temperature: 1.200000 Total energy: -1058.104342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.104342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.104342 (E_RNA) where: Base-Base interactions energy: -655.657 where: short stacking energy: -292.326 Base-Backbone interact. energy: -0.772 local terms energy: -401.675314 where: bonds (distance) C4'-P energy: -87.789 bonds (distance) P-C4' energy: -109.695 flat angles C4'-P-C4' energy: -96.124 flat angles P-C4'-P energy: -58.282 tors. eta vs tors. theta energy: -49.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -810.178162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.178162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.178162 (E_RNA) where: Base-Base interactions energy: -456.301 where: short stacking energy: -214.356 Base-Backbone interact. energy: 10.200 local terms energy: -364.077544 where: bonds (distance) C4'-P energy: -98.192 bonds (distance) P-C4' energy: -97.674 flat angles C4'-P-C4' energy: -87.256 flat angles P-C4'-P energy: -60.123 tors. eta vs tors. theta energy: -20.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -472.236789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.236789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.236789 (E_RNA) where: Base-Base interactions energy: -181.106 where: short stacking energy: -157.035 Base-Backbone interact. energy: -1.052 local terms energy: -290.078095 where: bonds (distance) C4'-P energy: -81.265 bonds (distance) P-C4' energy: -83.574 flat angles C4'-P-C4' energy: -89.608 flat angles P-C4'-P energy: -35.460 tors. eta vs tors. theta energy: -0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -415.237382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.237382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.237382 (E_RNA) where: Base-Base interactions energy: -136.330 where: short stacking energy: -120.701 Base-Backbone interact. energy: 0.232 local terms energy: -279.139365 where: bonds (distance) C4'-P energy: -104.041 bonds (distance) P-C4' energy: -77.621 flat angles C4'-P-C4' energy: -69.400 flat angles P-C4'-P energy: -44.911 tors. eta vs tors. theta energy: 16.834 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: 315 Temperature: 0.900000 Total energy: -1919.641079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.641079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.641079 (E_RNA) where: Base-Base interactions energy: -1298.819 where: short stacking energy: -568.998 Base-Backbone interact. energy: -2.509 local terms energy: -618.313268 where: bonds (distance) C4'-P energy: -114.152 bonds (distance) P-C4' energy: -116.467 flat angles C4'-P-C4' energy: -132.162 flat angles P-C4'-P energy: -88.618 tors. eta vs tors. theta energy: -166.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1861.614185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.614185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.614185 (E_RNA) where: Base-Base interactions energy: -1294.932 where: short stacking energy: -532.920 Base-Backbone interact. energy: -2.088 local terms energy: -564.593913 where: bonds (distance) C4'-P energy: -94.984 bonds (distance) P-C4' energy: -108.829 flat angles C4'-P-C4' energy: -117.836 flat angles P-C4'-P energy: -73.227 tors. eta vs tors. theta energy: -169.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1654.575438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.575438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.575438 (E_RNA) where: Base-Base interactions energy: -1114.807 where: short stacking energy: -472.120 Base-Backbone interact. energy: 0.184 local terms energy: -539.951752 where: bonds (distance) C4'-P energy: -93.396 bonds (distance) P-C4' energy: -104.487 flat angles C4'-P-C4' energy: -124.064 flat angles P-C4'-P energy: -79.132 tors. eta vs tors. theta energy: -138.872 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: 6 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1539.652587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.652587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.652587 (E_RNA) where: Base-Base interactions energy: -1043.352 where: short stacking energy: -441.780 Base-Backbone interact. energy: -0.243 local terms energy: -496.057358 where: bonds (distance) C4'-P energy: -98.301 bonds (distance) P-C4' energy: -92.777 flat angles C4'-P-C4' energy: -106.653 flat angles P-C4'-P energy: -77.072 tors. eta vs tors. theta energy: -121.255 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: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1439.091428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.091428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.091428 (E_RNA) where: Base-Base interactions energy: -951.146 where: short stacking energy: -400.322 Base-Backbone interact. energy: -3.040 local terms energy: -484.904559 where: bonds (distance) C4'-P energy: -99.671 bonds (distance) P-C4' energy: -97.053 flat angles C4'-P-C4' energy: -103.522 flat angles P-C4'-P energy: -76.744 tors. eta vs tors. theta energy: -107.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1264.578086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.578086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.578086 (E_RNA) where: Base-Base interactions energy: -782.142 where: short stacking energy: -353.864 Base-Backbone interact. energy: 0.601 local terms energy: -483.037054 where: bonds (distance) C4'-P energy: -113.255 bonds (distance) P-C4' energy: -127.109 flat angles C4'-P-C4' energy: -86.878 flat angles P-C4'-P energy: -65.293 tors. eta vs tors. theta energy: -90.502 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: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1148.308476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.308476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.308476 (E_RNA) where: Base-Base interactions energy: -754.473 where: short stacking energy: -328.564 Base-Backbone interact. energy: -1.600 local terms energy: -392.235376 where: bonds (distance) C4'-P energy: -90.339 bonds (distance) P-C4' energy: -70.009 flat angles C4'-P-C4' energy: -101.776 flat angles P-C4'-P energy: -57.319 tors. eta vs tors. theta energy: -72.793 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: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -773.359391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.359391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.359391 (E_RNA) where: Base-Base interactions energy: -416.776 where: short stacking energy: -190.297 Base-Backbone interact. energy: 0.911 local terms energy: -357.493576 where: bonds (distance) C4'-P energy: -97.370 bonds (distance) P-C4' energy: -87.538 flat angles C4'-P-C4' energy: -82.890 flat angles P-C4'-P energy: -62.576 tors. eta vs tors. theta energy: -27.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -457.220816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.220816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.220816 (E_RNA) where: Base-Base interactions energy: -169.275 where: short stacking energy: -100.309 Base-Backbone interact. energy: 5.288 local terms energy: -293.233833 where: bonds (distance) C4'-P energy: -92.645 bonds (distance) P-C4' energy: -94.027 flat angles C4'-P-C4' energy: -83.617 flat angles P-C4'-P energy: -54.567 tors. eta vs tors. theta energy: 31.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -426.143711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.143711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.143711 (E_RNA) where: Base-Base interactions energy: -132.503 where: short stacking energy: -116.004 Base-Backbone interact. energy: 2.351 local terms energy: -295.991471 where: bonds (distance) C4'-P energy: -85.685 bonds (distance) P-C4' energy: -115.806 flat angles C4'-P-C4' energy: -70.679 flat angles P-C4'-P energy: -45.592 tors. eta vs tors. theta energy: 21.771 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: 316 Temperature: 0.900000 Total energy: -1903.131704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.131704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.131704 (E_RNA) where: Base-Base interactions energy: -1312.243 where: short stacking energy: -547.987 Base-Backbone interact. energy: -1.025 local terms energy: -589.863922 where: bonds (distance) C4'-P energy: -105.585 bonds (distance) P-C4' energy: -104.269 flat angles C4'-P-C4' energy: -130.164 flat angles P-C4'-P energy: -79.435 tors. eta vs tors. theta energy: -170.411 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: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1803.377574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.377574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.377574 (E_RNA) where: Base-Base interactions energy: -1238.880 where: short stacking energy: -514.577 Base-Backbone interact. energy: 0.238 local terms energy: -564.735710 where: bonds (distance) C4'-P energy: -113.145 bonds (distance) P-C4' energy: -112.163 flat angles C4'-P-C4' energy: -116.885 flat angles P-C4'-P energy: -74.420 tors. eta vs tors. theta energy: -148.123 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: 1 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1665.145835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.145835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.145835 (E_RNA) where: Base-Base interactions energy: -1112.151 where: short stacking energy: -480.210 Base-Backbone interact. energy: -3.920 local terms energy: -549.074918 where: bonds (distance) C4'-P energy: -108.258 bonds (distance) P-C4' energy: -111.012 flat angles C4'-P-C4' energy: -116.749 flat angles P-C4'-P energy: -67.566 tors. eta vs tors. theta energy: -145.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1545.819892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.819892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.819892 (E_RNA) where: Base-Base interactions energy: -1050.623 where: short stacking energy: -438.854 Base-Backbone interact. energy: -0.545 local terms energy: -494.651900 where: bonds (distance) C4'-P energy: -104.879 bonds (distance) P-C4' energy: -111.338 flat angles C4'-P-C4' energy: -109.525 flat angles P-C4'-P energy: -66.683 tors. eta vs tors. theta energy: -102.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1450.425990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.425990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.425990 (E_RNA) where: Base-Base interactions energy: -957.696 where: short stacking energy: -429.350 Base-Backbone interact. energy: -3.069 local terms energy: -489.661370 where: bonds (distance) C4'-P energy: -87.537 bonds (distance) P-C4' energy: -95.282 flat angles C4'-P-C4' energy: -110.968 flat angles P-C4'-P energy: -78.824 tors. eta vs tors. theta energy: -117.051 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: 6, replica: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1257.777630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.777630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.777630 (E_RNA) where: Base-Base interactions energy: -806.777 where: short stacking energy: -349.263 Base-Backbone interact. energy: -1.607 local terms energy: -449.393168 where: bonds (distance) C4'-P energy: -93.630 bonds (distance) P-C4' energy: -91.921 flat angles C4'-P-C4' energy: -102.196 flat angles P-C4'-P energy: -66.667 tors. eta vs tors. theta energy: -94.978 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: 316 Temperature: 1.200000 Total energy: -1106.224337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.224337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.224337 (E_RNA) where: Base-Base interactions energy: -686.567 where: short stacking energy: -302.643 Base-Backbone interact. energy: -0.051 local terms energy: -419.606540 where: bonds (distance) C4'-P energy: -107.603 bonds (distance) P-C4' energy: -96.887 flat angles C4'-P-C4' energy: -100.841 flat angles P-C4'-P energy: -48.629 tors. eta vs tors. theta energy: -65.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -802.235971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.235971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.235971 (E_RNA) where: Base-Base interactions energy: -438.612 where: short stacking energy: -230.955 Base-Backbone interact. energy: -0.146 local terms energy: -363.477978 where: bonds (distance) C4'-P energy: -93.424 bonds (distance) P-C4' energy: -106.594 flat angles C4'-P-C4' energy: -74.721 flat angles P-C4'-P energy: -55.961 tors. eta vs tors. theta energy: -32.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -451.453119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.453119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.453119 (E_RNA) where: Base-Base interactions energy: -142.173 where: short stacking energy: -119.986 Base-Backbone interact. energy: -2.537 local terms energy: -306.743796 where: bonds (distance) C4'-P energy: -99.555 bonds (distance) P-C4' energy: -95.301 flat angles C4'-P-C4' energy: -78.378 flat angles P-C4'-P energy: -52.957 tors. eta vs tors. theta energy: 19.447 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: 9 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -422.788755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.788755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.788755 (E_RNA) where: Base-Base interactions energy: -155.524 where: short stacking energy: -118.343 Base-Backbone interact. energy: -1.648 local terms energy: -265.616754 where: bonds (distance) C4'-P energy: -96.486 bonds (distance) P-C4' energy: -72.426 flat angles C4'-P-C4' energy: -71.740 flat angles P-C4'-P energy: -43.994 tors. eta vs tors. theta energy: 19.029 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: 317 Temperature: 0.900000 Total energy: -1926.729249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.729249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.729249 (E_RNA) where: Base-Base interactions energy: -1313.053 where: short stacking energy: -549.002 Base-Backbone interact. energy: -0.025 local terms energy: -613.651622 where: bonds (distance) C4'-P energy: -117.379 bonds (distance) P-C4' energy: -114.674 flat angles C4'-P-C4' energy: -126.075 flat angles P-C4'-P energy: -90.120 tors. eta vs tors. theta energy: -165.403 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: 3 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1815.044976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.044976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.044976 (E_RNA) where: Base-Base interactions energy: -1232.785 where: short stacking energy: -501.884 Base-Backbone interact. energy: 0.803 local terms energy: -583.063278 where: bonds (distance) C4'-P energy: -117.204 bonds (distance) P-C4' energy: -102.852 flat angles C4'-P-C4' energy: -124.357 flat angles P-C4'-P energy: -84.435 tors. eta vs tors. theta energy: -154.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1695.656676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.656676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.656676 (E_RNA) where: Base-Base interactions energy: -1165.604 where: short stacking energy: -497.150 Base-Backbone interact. energy: 0.679 local terms energy: -530.732176 where: bonds (distance) C4'-P energy: -94.496 bonds (distance) P-C4' energy: -96.272 flat angles C4'-P-C4' energy: -118.010 flat angles P-C4'-P energy: -67.140 tors. eta vs tors. theta energy: -154.813 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: 4, replica: 6 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1578.277446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.277446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.277446 (E_RNA) where: Base-Base interactions energy: -1081.398 where: short stacking energy: -433.867 Base-Backbone interact. energy: -1.584 local terms energy: -495.295646 where: bonds (distance) C4'-P energy: -95.886 bonds (distance) P-C4' energy: -91.330 flat angles C4'-P-C4' energy: -101.345 flat angles P-C4'-P energy: -89.286 tors. eta vs tors. theta energy: -117.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1475.166043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.166043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.166043 (E_RNA) where: Base-Base interactions energy: -975.226 where: short stacking energy: -438.538 Base-Backbone interact. energy: -0.013 local terms energy: -499.927012 where: bonds (distance) C4'-P energy: -108.120 bonds (distance) P-C4' energy: -99.924 flat angles C4'-P-C4' energy: -100.261 flat angles P-C4'-P energy: -72.910 tors. eta vs tors. theta energy: -118.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1217.639092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.639092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.639092 (E_RNA) where: Base-Base interactions energy: -761.075 where: short stacking energy: -346.797 Base-Backbone interact. energy: -2.069 local terms energy: -454.494195 where: bonds (distance) C4'-P energy: -111.682 bonds (distance) P-C4' energy: -91.880 flat angles C4'-P-C4' energy: -107.170 flat angles P-C4'-P energy: -56.671 tors. eta vs tors. theta energy: -87.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1098.407716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.407716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.407716 (E_RNA) where: Base-Base interactions energy: -682.123 where: short stacking energy: -306.165 Base-Backbone interact. energy: 4.069 local terms energy: -420.354010 where: bonds (distance) C4'-P energy: -102.182 bonds (distance) P-C4' energy: -98.054 flat angles C4'-P-C4' energy: -92.841 flat angles P-C4'-P energy: -60.149 tors. eta vs tors. theta energy: -67.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -797.798123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.798123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.798123 (E_RNA) where: Base-Base interactions energy: -431.455 where: short stacking energy: -221.870 Base-Backbone interact. energy: 0.934 local terms energy: -367.277603 where: bonds (distance) C4'-P energy: -101.428 bonds (distance) P-C4' energy: -81.653 flat angles C4'-P-C4' energy: -89.874 flat angles P-C4'-P energy: -70.681 tors. eta vs tors. theta energy: -23.640 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: 9, replica: 4 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -470.413165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.413165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.413165 (E_RNA) where: Base-Base interactions energy: -136.809 where: short stacking energy: -107.974 Base-Backbone interact. energy: -0.357 local terms energy: -333.246469 where: bonds (distance) C4'-P energy: -85.642 bonds (distance) P-C4' energy: -103.203 flat angles C4'-P-C4' energy: -90.086 flat angles P-C4'-P energy: -53.397 tors. eta vs tors. theta energy: -0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -426.692051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.692051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.692051 (E_RNA) where: Base-Base interactions energy: -147.801 where: short stacking energy: -121.844 Base-Backbone interact. energy: 0.254 local terms energy: -279.145333 where: bonds (distance) C4'-P energy: -107.476 bonds (distance) P-C4' energy: -88.396 flat angles C4'-P-C4' energy: -60.888 flat angles P-C4'-P energy: -38.437 tors. eta vs tors. theta energy: 16.052 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: 1, replica: 7 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1906.085444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.085444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.085444 (E_RNA) where: Base-Base interactions energy: -1321.068 where: short stacking energy: -544.049 Base-Backbone interact. energy: -2.222 local terms energy: -582.795207 where: bonds (distance) C4'-P energy: -109.303 bonds (distance) P-C4' energy: -114.145 flat angles C4'-P-C4' energy: -122.883 flat angles P-C4'-P energy: -76.314 tors. eta vs tors. theta energy: -160.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1799.609210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.609210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.609210 (E_RNA) where: Base-Base interactions energy: -1236.327 where: short stacking energy: -515.065 Base-Backbone interact. energy: -2.267 local terms energy: -561.015032 where: bonds (distance) C4'-P energy: -106.116 bonds (distance) P-C4' energy: -114.716 flat angles C4'-P-C4' energy: -120.929 flat angles P-C4'-P energy: -72.789 tors. eta vs tors. theta energy: -146.464 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: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1692.823880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.823880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.823880 (E_RNA) where: Base-Base interactions energy: -1151.053 where: short stacking energy: -496.278 Base-Backbone interact. energy: 0.763 local terms energy: -542.533282 where: bonds (distance) C4'-P energy: -92.177 bonds (distance) P-C4' energy: -106.380 flat angles C4'-P-C4' energy: -115.254 flat angles P-C4'-P energy: -69.962 tors. eta vs tors. theta energy: -158.760 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: 6 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1546.766433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.766433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.766433 (E_RNA) where: Base-Base interactions energy: -1049.034 where: short stacking energy: -434.566 Base-Backbone interact. energy: 0.131 local terms energy: -497.864176 where: bonds (distance) C4'-P energy: -103.140 bonds (distance) P-C4' energy: -84.375 flat angles C4'-P-C4' energy: -102.910 flat angles P-C4'-P energy: -90.618 tors. eta vs tors. theta energy: -116.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1448.718914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.718914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.718914 (E_RNA) where: Base-Base interactions energy: -964.557 where: short stacking energy: -401.776 Base-Backbone interact. energy: -1.467 local terms energy: -482.694546 where: bonds (distance) C4'-P energy: -92.365 bonds (distance) P-C4' energy: -95.594 flat angles C4'-P-C4' energy: -114.297 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -110.178 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: 6, replica: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1209.847121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.847121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.847121 (E_RNA) where: Base-Base interactions energy: -759.553 where: short stacking energy: -349.593 Base-Backbone interact. energy: -0.835 local terms energy: -449.459340 where: bonds (distance) C4'-P energy: -88.860 bonds (distance) P-C4' energy: -103.106 flat angles C4'-P-C4' energy: -119.116 flat angles P-C4'-P energy: -46.585 tors. eta vs tors. theta energy: -91.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1058.814855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.814855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.814855 (E_RNA) where: Base-Base interactions energy: -656.278 where: short stacking energy: -306.409 Base-Backbone interact. energy: -0.382 local terms energy: -402.154362 where: bonds (distance) C4'-P energy: -86.889 bonds (distance) P-C4' energy: -94.102 flat angles C4'-P-C4' energy: -94.013 flat angles P-C4'-P energy: -67.759 tors. eta vs tors. theta energy: -59.390 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: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -814.380317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.380317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.380317 (E_RNA) where: Base-Base interactions energy: -445.983 where: short stacking energy: -243.412 Base-Backbone interact. energy: 1.095 local terms energy: -369.492685 where: bonds (distance) C4'-P energy: -92.204 bonds (distance) P-C4' energy: -102.866 flat angles C4'-P-C4' energy: -97.322 flat angles P-C4'-P energy: -39.876 tors. eta vs tors. theta energy: -37.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -442.936806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.936806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.936806 (E_RNA) where: Base-Base interactions energy: -175.017 where: short stacking energy: -110.919 Base-Backbone interact. energy: 1.587 local terms energy: -269.506423 where: bonds (distance) C4'-P energy: -74.230 bonds (distance) P-C4' energy: -84.800 flat angles C4'-P-C4' energy: -68.677 flat angles P-C4'-P energy: -47.475 tors. eta vs tors. theta energy: 5.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -420.800031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.800031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.800031 (E_RNA) where: Base-Base interactions energy: -155.328 where: short stacking energy: -123.794 Base-Backbone interact. energy: 3.375 local terms energy: -268.846953 where: bonds (distance) C4'-P energy: -89.560 bonds (distance) P-C4' energy: -94.893 flat angles C4'-P-C4' energy: -70.549 flat angles P-C4'-P energy: -32.500 tors. eta vs tors. theta energy: 18.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1917.669175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.669175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.669175 (E_RNA) where: Base-Base interactions energy: -1322.269 where: short stacking energy: -554.753 Base-Backbone interact. energy: -3.016 local terms energy: -592.383482 where: bonds (distance) C4'-P energy: -112.129 bonds (distance) P-C4' energy: -111.852 flat angles C4'-P-C4' energy: -128.948 flat angles P-C4'-P energy: -73.605 tors. eta vs tors. theta energy: -165.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1789.651245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.651245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.651245 (E_RNA) where: Base-Base interactions energy: -1216.071 where: short stacking energy: -499.522 Base-Backbone interact. energy: -0.335 local terms energy: -573.245052 where: bonds (distance) C4'-P energy: -109.157 bonds (distance) P-C4' energy: -116.331 flat angles C4'-P-C4' energy: -126.706 flat angles P-C4'-P energy: -72.179 tors. eta vs tors. theta energy: -148.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1667.659914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.659914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.659914 (E_RNA) where: Base-Base interactions energy: -1120.102 where: short stacking energy: -492.511 Base-Backbone interact. energy: -2.247 local terms energy: -545.311014 where: bonds (distance) C4'-P energy: -93.673 bonds (distance) P-C4' energy: -97.196 flat angles C4'-P-C4' energy: -132.220 flat angles P-C4'-P energy: -79.306 tors. eta vs tors. theta energy: -142.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1559.348325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.348325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.348325 (E_RNA) where: Base-Base interactions energy: -1040.069 where: short stacking energy: -438.287 Base-Backbone interact. energy: 0.162 local terms energy: -519.441791 where: bonds (distance) C4'-P energy: -99.419 bonds (distance) P-C4' energy: -91.142 flat angles C4'-P-C4' energy: -120.304 flat angles P-C4'-P energy: -84.581 tors. eta vs tors. theta energy: -123.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1444.928275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.928275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.928275 (E_RNA) where: Base-Base interactions energy: -945.946 where: short stacking energy: -385.594 Base-Backbone interact. energy: 1.427 local terms energy: -500.409629 where: bonds (distance) C4'-P energy: -103.917 bonds (distance) P-C4' energy: -107.238 flat angles C4'-P-C4' energy: -116.485 flat angles P-C4'-P energy: -55.787 tors. eta vs tors. theta energy: -116.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1258.561637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.561637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.561637 (E_RNA) where: Base-Base interactions energy: -803.874 where: short stacking energy: -344.490 Base-Backbone interact. energy: -0.263 local terms energy: -454.424450 where: bonds (distance) C4'-P energy: -107.201 bonds (distance) P-C4' energy: -95.011 flat angles C4'-P-C4' energy: -103.449 flat angles P-C4'-P energy: -71.402 tors. eta vs tors. theta energy: -77.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1052.479205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.479205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.479205 (E_RNA) where: Base-Base interactions energy: -668.736 where: short stacking energy: -293.476 Base-Backbone interact. energy: -0.868 local terms energy: -382.874716 where: bonds (distance) C4'-P energy: -88.683 bonds (distance) P-C4' energy: -106.487 flat angles C4'-P-C4' energy: -82.729 flat angles P-C4'-P energy: -49.299 tors. eta vs tors. theta energy: -55.677 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: 10 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -831.465230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.465230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.465230 (E_RNA) where: Base-Base interactions energy: -493.351 where: short stacking energy: -240.739 Base-Backbone interact. energy: -1.399 local terms energy: -336.715063 where: bonds (distance) C4'-P energy: -86.891 bonds (distance) P-C4' energy: -84.341 flat angles C4'-P-C4' energy: -96.614 flat angles P-C4'-P energy: -42.771 tors. eta vs tors. theta energy: -26.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -473.983617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.983617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.983617 (E_RNA) where: Base-Base interactions energy: -154.037 where: short stacking energy: -134.039 Base-Backbone interact. energy: 0.604 local terms energy: -320.550874 where: bonds (distance) C4'-P energy: -104.781 bonds (distance) P-C4' energy: -99.566 flat angles C4'-P-C4' energy: -83.397 flat angles P-C4'-P energy: -42.965 tors. eta vs tors. theta energy: 10.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -417.704381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.704381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.704381 (E_RNA) where: Base-Base interactions energy: -150.831 where: short stacking energy: -104.215 Base-Backbone interact. energy: 2.031 local terms energy: -268.904720 where: bonds (distance) C4'-P energy: -101.106 bonds (distance) P-C4' energy: -77.424 flat angles C4'-P-C4' energy: -70.012 flat angles P-C4'-P energy: -34.559 tors. eta vs tors. theta energy: 14.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1920.722780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.722780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.722780 (E_RNA) where: Base-Base interactions energy: -1331.969 where: short stacking energy: -550.482 Base-Backbone interact. energy: -2.432 local terms energy: -586.321099 where: bonds (distance) C4'-P energy: -100.251 bonds (distance) P-C4' energy: -111.858 flat angles C4'-P-C4' energy: -122.081 flat angles P-C4'-P energy: -86.160 tors. eta vs tors. theta energy: -165.971 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: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1797.530883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.530883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.530883 (E_RNA) where: Base-Base interactions energy: -1246.525 where: short stacking energy: -513.690 Base-Backbone interact. energy: -0.052 local terms energy: -550.954032 where: bonds (distance) C4'-P energy: -97.805 bonds (distance) P-C4' energy: -109.184 flat angles C4'-P-C4' energy: -114.446 flat angles P-C4'-P energy: -81.107 tors. eta vs tors. theta energy: -148.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1683.173870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.173870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.173870 (E_RNA) where: Base-Base interactions energy: -1118.405 where: short stacking energy: -487.004 Base-Backbone interact. energy: -1.122 local terms energy: -563.647328 where: bonds (distance) C4'-P energy: -115.047 bonds (distance) P-C4' energy: -112.487 flat angles C4'-P-C4' energy: -118.725 flat angles P-C4'-P energy: -78.497 tors. eta vs tors. theta energy: -138.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1512.028466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.028466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.028466 (E_RNA) where: Base-Base interactions energy: -1012.987 where: short stacking energy: -425.151 Base-Backbone interact. energy: 0.245 local terms energy: -499.287112 where: bonds (distance) C4'-P energy: -84.838 bonds (distance) P-C4' energy: -108.372 flat angles C4'-P-C4' energy: -116.591 flat angles P-C4'-P energy: -76.002 tors. eta vs tors. theta energy: -113.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1491.642842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.642842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.642842 (E_RNA) where: Base-Base interactions energy: -993.600 where: short stacking energy: -413.698 Base-Backbone interact. energy: 0.245 local terms energy: -498.288196 where: bonds (distance) C4'-P energy: -94.247 bonds (distance) P-C4' energy: -107.049 flat angles C4'-P-C4' energy: -118.979 flat angles P-C4'-P energy: -64.833 tors. eta vs tors. theta energy: -113.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1245.059952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.059952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.059952 (E_RNA) where: Base-Base interactions energy: -790.374 where: short stacking energy: -379.373 Base-Backbone interact. energy: 2.119 local terms energy: -456.805503 where: bonds (distance) C4'-P energy: -91.832 bonds (distance) P-C4' energy: -96.450 flat angles C4'-P-C4' energy: -103.014 flat angles P-C4'-P energy: -67.489 tors. eta vs tors. theta energy: -98.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1056.408057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.408057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.408057 (E_RNA) where: Base-Base interactions energy: -642.727 where: short stacking energy: -280.766 Base-Backbone interact. energy: 0.152 local terms energy: -413.833592 where: bonds (distance) C4'-P energy: -102.803 bonds (distance) P-C4' energy: -98.239 flat angles C4'-P-C4' energy: -75.210 flat angles P-C4'-P energy: -84.495 tors. eta vs tors. theta energy: -53.086 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: 320 Temperature: 1.250000 Total energy: -831.663773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.663773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.663773 (E_RNA) where: Base-Base interactions energy: -486.573 where: short stacking energy: -246.290 Base-Backbone interact. energy: -0.328 local terms energy: -344.763283 where: bonds (distance) C4'-P energy: -83.787 bonds (distance) P-C4' energy: -95.064 flat angles C4'-P-C4' energy: -83.647 flat angles P-C4'-P energy: -57.199 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: 9, replica: 4 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -482.558362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.558362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.558362 (E_RNA) where: Base-Base interactions energy: -169.052 where: short stacking energy: -107.851 Base-Backbone interact. energy: -0.382 local terms energy: -313.124199 where: bonds (distance) C4'-P energy: -97.973 bonds (distance) P-C4' energy: -109.296 flat angles C4'-P-C4' energy: -80.227 flat angles P-C4'-P energy: -39.446 tors. eta vs tors. theta energy: 13.818 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: 320 Temperature: 1.350000 Total energy: -433.538086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.538086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.538086 (E_RNA) where: Base-Base interactions energy: -124.247 where: short stacking energy: -114.935 Base-Backbone interact. energy: -0.064 local terms energy: -309.227098 where: bonds (distance) C4'-P energy: -103.307 bonds (distance) P-C4' energy: -99.728 flat angles C4'-P-C4' energy: -85.976 flat angles P-C4'-P energy: -37.943 tors. eta vs tors. theta energy: 17.726 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: 1, replica: 7 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1914.411551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.411551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.411551 (E_RNA) where: Base-Base interactions energy: -1323.884 where: short stacking energy: -540.639 Base-Backbone interact. energy: -1.964 local terms energy: -588.563207 where: bonds (distance) C4'-P energy: -110.102 bonds (distance) P-C4' energy: -116.223 flat angles C4'-P-C4' energy: -113.379 flat angles P-C4'-P energy: -90.341 tors. eta vs tors. theta energy: -158.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1831.763563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.763563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.763563 (E_RNA) where: Base-Base interactions energy: -1257.412 where: short stacking energy: -525.268 Base-Backbone interact. energy: -3.398 local terms energy: -570.953615 where: bonds (distance) C4'-P energy: -106.629 bonds (distance) P-C4' energy: -95.705 flat angles C4'-P-C4' energy: -125.665 flat angles P-C4'-P energy: -78.570 tors. eta vs tors. theta energy: -164.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1702.231367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.231367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.231367 (E_RNA) where: Base-Base interactions energy: -1122.486 where: short stacking energy: -503.840 Base-Backbone interact. energy: -1.900 local terms energy: -577.845655 where: bonds (distance) C4'-P energy: -107.284 bonds (distance) P-C4' energy: -104.685 flat angles C4'-P-C4' energy: -131.338 flat angles P-C4'-P energy: -79.487 tors. eta vs tors. theta energy: -155.053 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: 321 Temperature: 1.050000 Total energy: -1528.168665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.168665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.168665 (E_RNA) where: Base-Base interactions energy: -1029.614 where: short stacking energy: -422.920 Base-Backbone interact. energy: -2.224 local terms energy: -496.330745 where: bonds (distance) C4'-P energy: -100.917 bonds (distance) P-C4' energy: -105.686 flat angles C4'-P-C4' energy: -115.703 flat angles P-C4'-P energy: -73.949 tors. eta vs tors. theta energy: -100.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1480.107337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.107337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.107337 (E_RNA) where: Base-Base interactions energy: -989.298 where: short stacking energy: -440.501 Base-Backbone interact. energy: 3.705 local terms energy: -494.514429 where: bonds (distance) C4'-P energy: -93.303 bonds (distance) P-C4' energy: -94.337 flat angles C4'-P-C4' energy: -108.489 flat angles P-C4'-P energy: -65.911 tors. eta vs tors. theta energy: -132.474 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: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1260.926618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.926618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.926618 (E_RNA) where: Base-Base interactions energy: -793.909 where: short stacking energy: -352.093 Base-Backbone interact. energy: -0.350 local terms energy: -466.667879 where: bonds (distance) C4'-P energy: -77.573 bonds (distance) P-C4' energy: -117.328 flat angles C4'-P-C4' energy: -101.570 flat angles P-C4'-P energy: -80.544 tors. eta vs tors. theta energy: -89.653 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: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1152.475978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.475978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.475978 (E_RNA) where: Base-Base interactions energy: -739.892 where: short stacking energy: -350.153 Base-Backbone interact. energy: -1.187 local terms energy: -411.397432 where: bonds (distance) C4'-P energy: -79.952 bonds (distance) P-C4' energy: -96.921 flat angles C4'-P-C4' energy: -94.327 flat angles P-C4'-P energy: -66.217 tors. eta vs tors. theta energy: -73.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -813.807508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.807508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.807508 (E_RNA) where: Base-Base interactions energy: -471.258 where: short stacking energy: -230.794 Base-Backbone interact. energy: 6.328 local terms energy: -348.877956 where: bonds (distance) C4'-P energy: -66.654 bonds (distance) P-C4' energy: -112.126 flat angles C4'-P-C4' energy: -77.505 flat angles P-C4'-P energy: -52.704 tors. eta vs tors. theta energy: -39.890 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: 4 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -479.891320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.891320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.891320 (E_RNA) where: Base-Base interactions energy: -228.674 where: short stacking energy: -149.605 Base-Backbone interact. energy: -2.788 local terms energy: -248.429823 where: bonds (distance) C4'-P energy: -85.974 bonds (distance) P-C4' energy: -92.676 flat angles C4'-P-C4' energy: -63.231 flat angles P-C4'-P energy: -24.428 tors. eta vs tors. theta energy: 17.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -432.191944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.191944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.191944 (E_RNA) where: Base-Base interactions energy: -169.085 where: short stacking energy: -124.808 Base-Backbone interact. energy: 2.922 local terms energy: -266.028250 where: bonds (distance) C4'-P energy: -94.526 bonds (distance) P-C4' energy: -87.565 flat angles C4'-P-C4' energy: -71.702 flat angles P-C4'-P energy: -46.718 tors. eta vs tors. theta energy: 34.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1895.455910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.455910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.455910 (E_RNA) where: Base-Base interactions energy: -1293.575 where: short stacking energy: -527.351 Base-Backbone interact. energy: -2.247 local terms energy: -599.633983 where: bonds (distance) C4'-P energy: -118.860 bonds (distance) P-C4' energy: -107.208 flat angles C4'-P-C4' energy: -126.507 flat angles P-C4'-P energy: -88.632 tors. eta vs tors. theta energy: -158.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1855.804810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.804810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.804810 (E_RNA) where: Base-Base interactions energy: -1281.071 where: short stacking energy: -535.356 Base-Backbone interact. energy: 9.437 local terms energy: -584.169989 where: bonds (distance) C4'-P energy: -102.967 bonds (distance) P-C4' energy: -108.919 flat angles C4'-P-C4' energy: -133.940 flat angles P-C4'-P energy: -72.940 tors. eta vs tors. theta energy: -165.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1650.142310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.142310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.142310 (E_RNA) where: Base-Base interactions energy: -1109.403 where: short stacking energy: -489.905 Base-Backbone interact. energy: -1.349 local terms energy: -539.391046 where: bonds (distance) C4'-P energy: -107.338 bonds (distance) P-C4' energy: -98.891 flat angles C4'-P-C4' energy: -116.865 flat angles P-C4'-P energy: -65.954 tors. eta vs tors. theta energy: -150.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1549.512854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.512854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.512854 (E_RNA) where: Base-Base interactions energy: -1059.403 where: short stacking energy: -448.210 Base-Backbone interact. energy: -0.673 local terms energy: -489.436425 where: bonds (distance) C4'-P energy: -102.225 bonds (distance) P-C4' energy: -106.133 flat angles C4'-P-C4' energy: -112.190 flat angles P-C4'-P energy: -63.369 tors. eta vs tors. theta energy: -105.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1518.763808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.763808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.763808 (E_RNA) where: Base-Base interactions energy: -1011.365 where: short stacking energy: -424.462 Base-Backbone interact. energy: 2.810 local terms energy: -510.208944 where: bonds (distance) C4'-P energy: -113.083 bonds (distance) P-C4' energy: -110.800 flat angles C4'-P-C4' energy: -102.784 flat angles P-C4'-P energy: -70.999 tors. eta vs tors. theta energy: -112.544 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: 6, replica: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1259.974594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.974594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.974594 (E_RNA) where: Base-Base interactions energy: -789.655 where: short stacking energy: -383.992 Base-Backbone interact. energy: -0.466 local terms energy: -469.853996 where: bonds (distance) C4'-P energy: -100.614 bonds (distance) P-C4' energy: -117.672 flat angles C4'-P-C4' energy: -107.435 flat angles P-C4'-P energy: -48.410 tors. eta vs tors. theta energy: -95.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1151.557192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.557192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.557192 (E_RNA) where: Base-Base interactions energy: -761.267 where: short stacking energy: -326.413 Base-Backbone interact. energy: -0.123 local terms energy: -390.167284 where: bonds (distance) C4'-P energy: -86.629 bonds (distance) P-C4' energy: -101.842 flat angles C4'-P-C4' energy: -88.540 flat angles P-C4'-P energy: -43.061 tors. eta vs tors. theta energy: -70.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -792.816304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.816304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.816304 (E_RNA) where: Base-Base interactions energy: -453.954 where: short stacking energy: -215.883 Base-Backbone interact. energy: -2.056 local terms energy: -336.806096 where: bonds (distance) C4'-P energy: -89.905 bonds (distance) P-C4' energy: -78.072 flat angles C4'-P-C4' energy: -85.756 flat angles P-C4'-P energy: -45.339 tors. eta vs tors. theta energy: -37.734 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: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -509.264364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.264364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.264364 (E_RNA) where: Base-Base interactions energy: -197.488 where: short stacking energy: -133.852 Base-Backbone interact. energy: -1.079 local terms energy: -310.697583 where: bonds (distance) C4'-P energy: -97.427 bonds (distance) P-C4' energy: -97.842 flat angles C4'-P-C4' energy: -69.181 flat angles P-C4'-P energy: -45.474 tors. eta vs tors. theta energy: -0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -420.469960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.469960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.469960 (E_RNA) where: Base-Base interactions energy: -110.046 where: short stacking energy: -86.659 Base-Backbone interact. energy: 0.556 local terms energy: -310.979542 where: bonds (distance) C4'-P energy: -89.659 bonds (distance) P-C4' energy: -121.577 flat angles C4'-P-C4' energy: -88.112 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: 32.378 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: 323 Temperature: 0.900000 Total energy: -1911.412559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.412559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.412559 (E_RNA) where: Base-Base interactions energy: -1337.383 where: short stacking energy: -544.161 Base-Backbone interact. energy: -0.788 local terms energy: -573.242289 where: bonds (distance) C4'-P energy: -103.193 bonds (distance) P-C4' energy: -115.220 flat angles C4'-P-C4' energy: -125.573 flat angles P-C4'-P energy: -66.354 tors. eta vs tors. theta energy: -162.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1840.004433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.004433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.004433 (E_RNA) where: Base-Base interactions energy: -1275.673 where: short stacking energy: -516.079 Base-Backbone interact. energy: 0.350 local terms energy: -564.681334 where: bonds (distance) C4'-P energy: -114.203 bonds (distance) P-C4' energy: -113.142 flat angles C4'-P-C4' energy: -109.133 flat angles P-C4'-P energy: -74.634 tors. eta vs tors. theta energy: -153.570 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: 1 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1635.068678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.068678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.068678 (E_RNA) where: Base-Base interactions energy: -1075.289 where: short stacking energy: -468.994 Base-Backbone interact. energy: -2.907 local terms energy: -556.872786 where: bonds (distance) C4'-P energy: -94.043 bonds (distance) P-C4' energy: -122.536 flat angles C4'-P-C4' energy: -124.663 flat angles P-C4'-P energy: -80.246 tors. eta vs tors. theta energy: -135.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1518.956954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.956954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.956954 (E_RNA) where: Base-Base interactions energy: -1036.661 where: short stacking energy: -427.241 Base-Backbone interact. energy: -2.758 local terms energy: -479.537146 where: bonds (distance) C4'-P energy: -88.278 bonds (distance) P-C4' energy: -110.017 flat angles C4'-P-C4' energy: -114.497 flat angles P-C4'-P energy: -63.248 tors. eta vs tors. theta energy: -103.498 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: 323 Temperature: 1.100000 Total energy: -1501.566703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.566703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.566703 (E_RNA) where: Base-Base interactions energy: -993.162 where: short stacking energy: -417.656 Base-Backbone interact. energy: -2.356 local terms energy: -506.048840 where: bonds (distance) C4'-P energy: -102.137 bonds (distance) P-C4' energy: -101.601 flat angles C4'-P-C4' energy: -115.787 flat angles P-C4'-P energy: -76.820 tors. eta vs tors. theta energy: -109.704 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: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1224.869803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.869803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.869803 (E_RNA) where: Base-Base interactions energy: -774.696 where: short stacking energy: -353.722 Base-Backbone interact. energy: -1.922 local terms energy: -448.252259 where: bonds (distance) C4'-P energy: -94.421 bonds (distance) P-C4' energy: -92.688 flat angles C4'-P-C4' energy: -97.123 flat angles P-C4'-P energy: -72.038 tors. eta vs tors. theta energy: -91.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1159.374538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.374538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.374538 (E_RNA) where: Base-Base interactions energy: -731.855 where: short stacking energy: -313.992 Base-Backbone interact. energy: -1.479 local terms energy: -426.040262 where: bonds (distance) C4'-P energy: -83.016 bonds (distance) P-C4' energy: -101.247 flat angles C4'-P-C4' energy: -97.301 flat angles P-C4'-P energy: -79.633 tors. eta vs tors. theta energy: -64.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -713.239220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.239220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.239220 (E_RNA) where: Base-Base interactions energy: -373.854 where: short stacking energy: -208.356 Base-Backbone interact. energy: -1.463 local terms energy: -337.923199 where: bonds (distance) C4'-P energy: -90.027 bonds (distance) P-C4' energy: -95.667 flat angles C4'-P-C4' energy: -103.076 flat angles P-C4'-P energy: -47.985 tors. eta vs tors. theta energy: -1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -481.233300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.233300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.233300 (E_RNA) where: Base-Base interactions energy: -171.447 where: short stacking energy: -147.879 Base-Backbone interact. energy: 0.241 local terms energy: -310.027191 where: bonds (distance) C4'-P energy: -78.498 bonds (distance) P-C4' energy: -101.438 flat angles C4'-P-C4' energy: -91.263 flat angles P-C4'-P energy: -43.536 tors. eta vs tors. theta energy: 4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -431.618952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.618952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.618952 (E_RNA) where: Base-Base interactions energy: -151.264 where: short stacking energy: -118.296 Base-Backbone interact. energy: 1.908 local terms energy: -282.262816 where: bonds (distance) C4'-P energy: -92.625 bonds (distance) P-C4' energy: -90.275 flat angles C4'-P-C4' energy: -65.153 flat angles P-C4'-P energy: -54.275 tors. eta vs tors. theta energy: 20.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1906.408405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.408405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.408405 (E_RNA) where: Base-Base interactions energy: -1312.843 where: short stacking energy: -535.478 Base-Backbone interact. energy: -1.190 local terms energy: -592.375228 where: bonds (distance) C4'-P energy: -107.799 bonds (distance) P-C4' energy: -116.557 flat angles C4'-P-C4' energy: -114.663 flat angles P-C4'-P energy: -85.779 tors. eta vs tors. theta energy: -167.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1827.591534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.591534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.591534 (E_RNA) where: Base-Base interactions energy: -1274.667 where: short stacking energy: -518.561 Base-Backbone interact. energy: -3.545 local terms energy: -549.379891 where: bonds (distance) C4'-P energy: -100.968 bonds (distance) P-C4' energy: -103.580 flat angles C4'-P-C4' energy: -113.106 flat angles P-C4'-P energy: -79.657 tors. eta vs tors. theta energy: -152.070 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: 1 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1659.588961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.588961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.588961 (E_RNA) where: Base-Base interactions energy: -1107.350 where: short stacking energy: -486.831 Base-Backbone interact. energy: -0.575 local terms energy: -551.664604 where: bonds (distance) C4'-P energy: -101.804 bonds (distance) P-C4' energy: -101.614 flat angles C4'-P-C4' energy: -127.570 flat angles P-C4'-P energy: -84.282 tors. eta vs tors. theta energy: -136.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1594.852620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.852620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.852620 (E_RNA) where: Base-Base interactions energy: -1065.929 where: short stacking energy: -459.567 Base-Backbone interact. energy: -0.725 local terms energy: -528.198708 where: bonds (distance) C4'-P energy: -108.992 bonds (distance) P-C4' energy: -97.187 flat angles C4'-P-C4' energy: -115.330 flat angles P-C4'-P energy: -88.492 tors. eta vs tors. theta energy: -118.198 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: 324 Temperature: 1.100000 Total energy: -1501.080384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.080384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.080384 (E_RNA) where: Base-Base interactions energy: -1015.567 where: short stacking energy: -413.647 Base-Backbone interact. energy: -0.325 local terms energy: -485.188286 where: bonds (distance) C4'-P energy: -109.678 bonds (distance) P-C4' energy: -93.429 flat angles C4'-P-C4' energy: -105.153 flat angles P-C4'-P energy: -65.237 tors. eta vs tors. theta energy: -111.692 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: 6, replica: 5 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1223.369031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.369031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.369031 (E_RNA) where: Base-Base interactions energy: -751.366 where: short stacking energy: -337.740 Base-Backbone interact. energy: -1.814 local terms energy: -470.189112 where: bonds (distance) C4'-P energy: -112.039 bonds (distance) P-C4' energy: -115.036 flat angles C4'-P-C4' energy: -101.125 flat angles P-C4'-P energy: -62.991 tors. eta vs tors. theta energy: -78.997 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: 8 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1173.759226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.759226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.759226 (E_RNA) where: Base-Base interactions energy: -778.733 where: short stacking energy: -351.488 Base-Backbone interact. energy: -1.750 local terms energy: -393.276511 where: bonds (distance) C4'-P energy: -77.833 bonds (distance) P-C4' energy: -89.605 flat angles C4'-P-C4' energy: -94.454 flat angles P-C4'-P energy: -50.896 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: 8, replica: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -740.009201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.009201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.009201 (E_RNA) where: Base-Base interactions energy: -391.511 where: short stacking energy: -213.366 Base-Backbone interact. energy: -1.632 local terms energy: -346.865796 where: bonds (distance) C4'-P energy: -81.469 bonds (distance) P-C4' energy: -92.788 flat angles C4'-P-C4' energy: -89.848 flat angles P-C4'-P energy: -55.300 tors. eta vs tors. theta energy: -27.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -536.284686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.284686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.284686 (E_RNA) where: Base-Base interactions energy: -201.340 where: short stacking energy: -156.398 Base-Backbone interact. energy: -2.320 local terms energy: -332.624774 where: bonds (distance) C4'-P energy: -94.029 bonds (distance) P-C4' energy: -106.494 flat angles C4'-P-C4' energy: -73.298 flat angles P-C4'-P energy: -52.799 tors. eta vs tors. theta energy: -6.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -427.643266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.643266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.643266 (E_RNA) where: Base-Base interactions energy: -162.451 where: short stacking energy: -99.666 Base-Backbone interact. energy: -1.690 local terms energy: -263.502779 where: bonds (distance) C4'-P energy: -83.335 bonds (distance) P-C4' energy: -94.876 flat angles C4'-P-C4' energy: -61.942 flat angles P-C4'-P energy: -48.306 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: 1, replica: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1921.542486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.542486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.542486 (E_RNA) where: Base-Base interactions energy: -1303.231 where: short stacking energy: -555.357 Base-Backbone interact. energy: -1.155 local terms energy: -617.157229 where: bonds (distance) C4'-P energy: -115.035 bonds (distance) P-C4' energy: -111.063 flat angles C4'-P-C4' energy: -127.070 flat angles P-C4'-P energy: -96.155 tors. eta vs tors. theta energy: -167.835 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: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1829.947344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.947344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.947344 (E_RNA) where: Base-Base interactions energy: -1261.130 where: short stacking energy: -504.581 Base-Backbone interact. energy: -2.659 local terms energy: -566.158115 where: bonds (distance) C4'-P energy: -103.683 bonds (distance) P-C4' energy: -113.766 flat angles C4'-P-C4' energy: -129.306 flat angles P-C4'-P energy: -70.450 tors. eta vs tors. theta energy: -148.953 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: 325 Temperature: 1.000000 Total energy: -1633.617129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.617129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.617129 (E_RNA) where: Base-Base interactions energy: -1096.866 where: short stacking energy: -475.336 Base-Backbone interact. energy: -1.589 local terms energy: -535.161717 where: bonds (distance) C4'-P energy: -105.869 bonds (distance) P-C4' energy: -95.986 flat angles C4'-P-C4' energy: -112.498 flat angles P-C4'-P energy: -77.986 tors. eta vs tors. theta energy: -142.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1564.751812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.751812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.751812 (E_RNA) where: Base-Base interactions energy: -1079.697 where: short stacking energy: -434.828 Base-Backbone interact. energy: -3.284 local terms energy: -481.770924 where: bonds (distance) C4'-P energy: -89.818 bonds (distance) P-C4' energy: -97.151 flat angles C4'-P-C4' energy: -118.827 flat angles P-C4'-P energy: -65.266 tors. eta vs tors. theta energy: -110.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1435.495297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.495297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.495297 (E_RNA) where: Base-Base interactions energy: -952.976 where: short stacking energy: -389.132 Base-Backbone interact. energy: 2.164 local terms energy: -484.682841 where: bonds (distance) C4'-P energy: -86.044 bonds (distance) P-C4' energy: -100.750 flat angles C4'-P-C4' energy: -113.130 flat angles P-C4'-P energy: -84.743 tors. eta vs tors. theta energy: -100.015 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: 325 Temperature: 1.150000 Total energy: -1184.412855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.412855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.412855 (E_RNA) where: Base-Base interactions energy: -740.551 where: short stacking energy: -346.739 Base-Backbone interact. energy: -1.829 local terms energy: -442.032827 where: bonds (distance) C4'-P energy: -105.499 bonds (distance) P-C4' energy: -105.337 flat angles C4'-P-C4' energy: -88.909 flat angles P-C4'-P energy: -63.088 tors. eta vs tors. theta energy: -79.201 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: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1136.402409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.402409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.402409 (E_RNA) where: Base-Base interactions energy: -705.210 where: short stacking energy: -328.530 Base-Backbone interact. energy: -2.950 local terms energy: -428.242949 where: bonds (distance) C4'-P energy: -83.273 bonds (distance) P-C4' energy: -96.057 flat angles C4'-P-C4' energy: -101.282 flat angles P-C4'-P energy: -75.754 tors. eta vs tors. theta energy: -71.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -788.782651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.782651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.782651 (E_RNA) where: Base-Base interactions energy: -430.417 where: short stacking energy: -230.719 Base-Backbone interact. energy: 0.866 local terms energy: -359.232114 where: bonds (distance) C4'-P energy: -87.111 bonds (distance) P-C4' energy: -112.371 flat angles C4'-P-C4' energy: -81.579 flat angles P-C4'-P energy: -58.150 tors. eta vs tors. theta energy: -20.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -488.234521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.234521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.234521 (E_RNA) where: Base-Base interactions energy: -173.897 where: short stacking energy: -149.858 Base-Backbone interact. energy: -0.187 local terms energy: -314.151144 where: bonds (distance) C4'-P energy: -90.388 bonds (distance) P-C4' energy: -80.750 flat angles C4'-P-C4' energy: -87.239 flat angles P-C4'-P energy: -50.427 tors. eta vs tors. theta energy: -5.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -466.672373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.672373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.672373 (E_RNA) where: Base-Base interactions energy: -172.594 where: short stacking energy: -138.505 Base-Backbone interact. energy: 0.878 local terms energy: -294.956341 where: bonds (distance) C4'-P energy: -91.243 bonds (distance) P-C4' energy: -85.385 flat angles C4'-P-C4' energy: -82.968 flat angles P-C4'-P energy: -42.625 tors. eta vs tors. theta energy: 7.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1907.120456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.120456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.120456 (E_RNA) where: Base-Base interactions energy: -1305.050 where: short stacking energy: -572.439 Base-Backbone interact. energy: -0.715 local terms energy: -601.355499 where: bonds (distance) C4'-P energy: -113.135 bonds (distance) P-C4' energy: -104.688 flat angles C4'-P-C4' energy: -128.252 flat angles P-C4'-P energy: -72.702 tors. eta vs tors. theta energy: -182.579 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: 2, replica: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1833.152150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.152150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.152150 (E_RNA) where: Base-Base interactions energy: -1295.013 where: short stacking energy: -528.094 Base-Backbone interact. energy: -0.838 local terms energy: -537.301110 where: bonds (distance) C4'-P energy: -113.450 bonds (distance) P-C4' energy: -99.118 flat angles C4'-P-C4' energy: -127.068 flat angles P-C4'-P energy: -53.354 tors. eta vs tors. theta energy: -144.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1619.724300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.724300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.724300 (E_RNA) where: Base-Base interactions energy: -1078.429 where: short stacking energy: -462.280 Base-Backbone interact. energy: -2.885 local terms energy: -538.409831 where: bonds (distance) C4'-P energy: -116.932 bonds (distance) P-C4' energy: -106.743 flat angles C4'-P-C4' energy: -104.051 flat angles P-C4'-P energy: -68.135 tors. eta vs tors. theta energy: -142.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1549.895912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.895912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.895912 (E_RNA) where: Base-Base interactions energy: -1023.671 where: short stacking energy: -434.105 Base-Backbone interact. energy: -3.356 local terms energy: -522.869528 where: bonds (distance) C4'-P energy: -104.888 bonds (distance) P-C4' energy: -101.099 flat angles C4'-P-C4' energy: -130.314 flat angles P-C4'-P energy: -74.115 tors. eta vs tors. theta energy: -112.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1424.469446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.469446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.469446 (E_RNA) where: Base-Base interactions energy: -951.431 where: short stacking energy: -394.905 Base-Backbone interact. energy: -1.220 local terms energy: -471.818859 where: bonds (distance) C4'-P energy: -99.964 bonds (distance) P-C4' energy: -106.918 flat angles C4'-P-C4' energy: -103.568 flat angles P-C4'-P energy: -61.959 tors. eta vs tors. theta energy: -99.410 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: 326 Temperature: 1.150000 Total energy: -1201.633868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.633868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.633868 (E_RNA) where: Base-Base interactions energy: -766.495 where: short stacking energy: -334.464 Base-Backbone interact. energy: -1.499 local terms energy: -433.640676 where: bonds (distance) C4'-P energy: -97.613 bonds (distance) P-C4' energy: -84.510 flat angles C4'-P-C4' energy: -111.634 flat angles P-C4'-P energy: -59.143 tors. eta vs tors. theta energy: -80.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1127.858578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.858578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.858578 (E_RNA) where: Base-Base interactions energy: -704.658 where: short stacking energy: -318.817 Base-Backbone interact. energy: -0.625 local terms energy: -422.575466 where: bonds (distance) C4'-P energy: -93.361 bonds (distance) P-C4' energy: -95.919 flat angles C4'-P-C4' energy: -98.934 flat angles P-C4'-P energy: -58.189 tors. eta vs tors. theta energy: -76.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -723.862745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.862745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.862745 (E_RNA) where: Base-Base interactions energy: -347.807 where: short stacking energy: -191.810 Base-Backbone interact. energy: -0.260 local terms energy: -375.795983 where: bonds (distance) C4'-P energy: -109.514 bonds (distance) P-C4' energy: -98.683 flat angles C4'-P-C4' energy: -91.022 flat angles P-C4'-P energy: -55.507 tors. eta vs tors. theta energy: -21.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -476.290168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.290168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.290168 (E_RNA) where: Base-Base interactions energy: -156.032 where: short stacking energy: -141.595 Base-Backbone interact. energy: 1.996 local terms energy: -322.254811 where: bonds (distance) C4'-P energy: -83.482 bonds (distance) P-C4' energy: -97.141 flat angles C4'-P-C4' energy: -87.973 flat angles P-C4'-P energy: -53.825 tors. eta vs tors. theta energy: 0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -422.663383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.663383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.663383 (E_RNA) where: Base-Base interactions energy: -137.431 where: short stacking energy: -120.251 Base-Backbone interact. energy: 1.503 local terms energy: -286.734497 where: bonds (distance) C4'-P energy: -85.869 bonds (distance) P-C4' energy: -98.601 flat angles C4'-P-C4' energy: -77.648 flat angles P-C4'-P energy: -37.227 tors. eta vs tors. theta energy: 12.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1903.744328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.744328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.744328 (E_RNA) where: Base-Base interactions energy: -1287.556 where: short stacking energy: -547.252 Base-Backbone interact. energy: -2.359 local terms energy: -613.829513 where: bonds (distance) C4'-P energy: -101.276 bonds (distance) P-C4' energy: -114.363 flat angles C4'-P-C4' energy: -126.102 flat angles P-C4'-P energy: -95.184 tors. eta vs tors. theta energy: -176.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1833.455376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.455376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.455376 (E_RNA) where: Base-Base interactions energy: -1255.346 where: short stacking energy: -511.787 Base-Backbone interact. energy: -0.353 local terms energy: -577.755898 where: bonds (distance) C4'-P energy: -114.888 bonds (distance) P-C4' energy: -117.794 flat angles C4'-P-C4' energy: -122.772 flat angles P-C4'-P energy: -69.117 tors. eta vs tors. theta energy: -153.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1639.312489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.312489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.312489 (E_RNA) where: Base-Base interactions energy: -1122.092 where: short stacking energy: -461.175 Base-Backbone interact. energy: -2.258 local terms energy: -514.962661 where: bonds (distance) C4'-P energy: -94.010 bonds (distance) P-C4' energy: -105.307 flat angles C4'-P-C4' energy: -117.432 flat angles P-C4'-P energy: -62.841 tors. eta vs tors. theta energy: -135.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1548.679574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.679574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.679574 (E_RNA) where: Base-Base interactions energy: -1062.542 where: short stacking energy: -435.156 Base-Backbone interact. energy: 4.925 local terms energy: -491.062947 where: bonds (distance) C4'-P energy: -88.501 bonds (distance) P-C4' energy: -101.933 flat angles C4'-P-C4' energy: -111.721 flat angles P-C4'-P energy: -76.351 tors. eta vs tors. theta energy: -112.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1479.981356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.981356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.981356 (E_RNA) where: Base-Base interactions energy: -1002.848 where: short stacking energy: -437.200 Base-Backbone interact. energy: -0.193 local terms energy: -476.940994 where: bonds (distance) C4'-P energy: -95.772 bonds (distance) P-C4' energy: -98.331 flat angles C4'-P-C4' energy: -107.901 flat angles P-C4'-P energy: -64.505 tors. eta vs tors. theta energy: -110.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1261.985048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.985048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.985048 (E_RNA) where: Base-Base interactions energy: -810.518 where: short stacking energy: -364.211 Base-Backbone interact. energy: -0.717 local terms energy: -450.750445 where: bonds (distance) C4'-P energy: -96.058 bonds (distance) P-C4' energy: -101.068 flat angles C4'-P-C4' energy: -97.722 flat angles P-C4'-P energy: -58.286 tors. eta vs tors. theta energy: -97.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1141.251754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.251754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.251754 (E_RNA) where: Base-Base interactions energy: -734.639 where: short stacking energy: -320.988 Base-Backbone interact. energy: 1.067 local terms energy: -407.679666 where: bonds (distance) C4'-P energy: -94.856 bonds (distance) P-C4' energy: -94.460 flat angles C4'-P-C4' energy: -91.377 flat angles P-C4'-P energy: -53.520 tors. eta vs tors. theta energy: -73.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -692.126951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.126951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.126951 (E_RNA) where: Base-Base interactions energy: -338.219 where: short stacking energy: -197.757 Base-Backbone interact. energy: -2.695 local terms energy: -351.213330 where: bonds (distance) C4'-P energy: -97.435 bonds (distance) P-C4' energy: -95.794 flat angles C4'-P-C4' energy: -69.246 flat angles P-C4'-P energy: -69.750 tors. eta vs tors. theta energy: -18.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -467.602445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.602445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.602445 (E_RNA) where: Base-Base interactions energy: -155.817 where: short stacking energy: -130.306 Base-Backbone interact. energy: 2.676 local terms energy: -314.461099 where: bonds (distance) C4'-P energy: -90.139 bonds (distance) P-C4' energy: -92.850 flat angles C4'-P-C4' energy: -73.561 flat angles P-C4'-P energy: -64.021 tors. eta vs tors. theta energy: 6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -422.795081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.795081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.795081 (E_RNA) where: Base-Base interactions energy: -155.320 where: short stacking energy: -142.130 Base-Backbone interact. energy: -2.695 local terms energy: -264.780555 where: bonds (distance) C4'-P energy: -88.512 bonds (distance) P-C4' energy: -96.745 flat angles C4'-P-C4' energy: -61.466 flat angles P-C4'-P energy: -30.009 tors. eta vs tors. theta energy: 11.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1916.154965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.154965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.154965 (E_RNA) where: Base-Base interactions energy: -1314.205 where: short stacking energy: -552.605 Base-Backbone interact. energy: -1.575 local terms energy: -600.374253 where: bonds (distance) C4'-P energy: -107.946 bonds (distance) P-C4' energy: -107.147 flat angles C4'-P-C4' energy: -120.326 flat angles P-C4'-P energy: -90.901 tors. eta vs tors. theta energy: -174.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1834.232355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.232355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.232355 (E_RNA) where: Base-Base interactions energy: -1291.351 where: short stacking energy: -536.802 Base-Backbone interact. energy: -0.950 local terms energy: -541.931021 where: bonds (distance) C4'-P energy: -93.578 bonds (distance) P-C4' energy: -118.971 flat angles C4'-P-C4' energy: -108.480 flat angles P-C4'-P energy: -70.759 tors. eta vs tors. theta energy: -150.143 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: 1 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1626.309046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.309046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.309046 (E_RNA) where: Base-Base interactions energy: -1068.036 where: short stacking energy: -491.408 Base-Backbone interact. energy: -1.513 local terms energy: -556.759947 where: bonds (distance) C4'-P energy: -97.153 bonds (distance) P-C4' energy: -112.559 flat angles C4'-P-C4' energy: -119.306 flat angles P-C4'-P energy: -82.166 tors. eta vs tors. theta energy: -145.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1491.343717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.343717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.343717 (E_RNA) where: Base-Base interactions energy: -991.101 where: short stacking energy: -414.634 Base-Backbone interact. energy: -0.207 local terms energy: -500.035496 where: bonds (distance) C4'-P energy: -96.465 bonds (distance) P-C4' energy: -104.143 flat angles C4'-P-C4' energy: -118.936 flat angles P-C4'-P energy: -71.027 tors. eta vs tors. theta energy: -109.464 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: 328 Temperature: 1.100000 Total energy: -1418.935868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.935868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.935868 (E_RNA) where: Base-Base interactions energy: -960.425 where: short stacking energy: -390.114 Base-Backbone interact. energy: 3.123 local terms energy: -461.633924 where: bonds (distance) C4'-P energy: -100.154 bonds (distance) P-C4' energy: -103.326 flat angles C4'-P-C4' energy: -103.355 flat angles P-C4'-P energy: -65.607 tors. eta vs tors. theta energy: -89.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1204.765305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.765305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.765305 (E_RNA) where: Base-Base interactions energy: -760.172 where: short stacking energy: -379.222 Base-Backbone interact. energy: -2.953 local terms energy: -441.640689 where: bonds (distance) C4'-P energy: -90.219 bonds (distance) P-C4' energy: -102.644 flat angles C4'-P-C4' energy: -98.226 flat angles P-C4'-P energy: -59.946 tors. eta vs tors. theta energy: -90.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1145.889438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.889438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.889438 (E_RNA) where: Base-Base interactions energy: -727.195 where: short stacking energy: -310.714 Base-Backbone interact. energy: -0.371 local terms energy: -418.323518 where: bonds (distance) C4'-P energy: -96.149 bonds (distance) P-C4' energy: -97.557 flat angles C4'-P-C4' energy: -99.456 flat angles P-C4'-P energy: -65.437 tors. eta vs tors. theta energy: -59.724 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: 328 Temperature: 1.250000 Total energy: -711.343599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.343599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.343599 (E_RNA) where: Base-Base interactions energy: -366.746 where: short stacking energy: -198.400 Base-Backbone interact. energy: 1.021 local terms energy: -345.618700 where: bonds (distance) C4'-P energy: -99.324 bonds (distance) P-C4' energy: -96.233 flat angles C4'-P-C4' energy: -95.487 flat angles P-C4'-P energy: -46.836 tors. eta vs tors. theta energy: -7.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -452.409949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.409949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.409949 (E_RNA) where: Base-Base interactions energy: -160.934 where: short stacking energy: -122.701 Base-Backbone interact. energy: -2.616 local terms energy: -288.859716 where: bonds (distance) C4'-P energy: -83.276 bonds (distance) P-C4' energy: -93.362 flat angles C4'-P-C4' energy: -67.816 flat angles P-C4'-P energy: -44.780 tors. eta vs tors. theta energy: 0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -394.427546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.427546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.427546 (E_RNA) where: Base-Base interactions energy: -136.131 where: short stacking energy: -84.379 Base-Backbone interact. energy: 2.508 local terms energy: -260.804581 where: bonds (distance) C4'-P energy: -93.492 bonds (distance) P-C4' energy: -92.726 flat angles C4'-P-C4' energy: -57.950 flat angles P-C4'-P energy: -39.578 tors. eta vs tors. theta energy: 22.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1926.669998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.669998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.669998 (E_RNA) where: Base-Base interactions energy: -1307.693 where: short stacking energy: -574.105 Base-Backbone interact. energy: -0.799 local terms energy: -618.178624 where: bonds (distance) C4'-P energy: -113.911 bonds (distance) P-C4' energy: -119.332 flat angles C4'-P-C4' energy: -126.373 flat angles P-C4'-P energy: -83.895 tors. eta vs tors. theta energy: -174.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1866.502024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.502024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.502024 (E_RNA) where: Base-Base interactions energy: -1299.072 where: short stacking energy: -553.934 Base-Backbone interact. energy: 0.644 local terms energy: -568.074686 where: bonds (distance) C4'-P energy: -95.065 bonds (distance) P-C4' energy: -102.317 flat angles C4'-P-C4' energy: -126.915 flat angles P-C4'-P energy: -85.191 tors. eta vs tors. theta energy: -158.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1684.893837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.893837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.893837 (E_RNA) where: Base-Base interactions energy: -1117.579 where: short stacking energy: -480.273 Base-Backbone interact. energy: 1.517 local terms energy: -568.832206 where: bonds (distance) C4'-P energy: -100.620 bonds (distance) P-C4' energy: -118.808 flat angles C4'-P-C4' energy: -122.412 flat angles P-C4'-P energy: -84.603 tors. eta vs tors. theta energy: -142.390 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: 329 Temperature: 1.050000 Total energy: -1528.669627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.669627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.669627 (E_RNA) where: Base-Base interactions energy: -1003.829 where: short stacking energy: -442.992 Base-Backbone interact. energy: -1.451 local terms energy: -523.388650 where: bonds (distance) C4'-P energy: -116.793 bonds (distance) P-C4' energy: -95.373 flat angles C4'-P-C4' energy: -114.285 flat angles P-C4'-P energy: -78.581 tors. eta vs tors. theta energy: -118.357 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: 329 Temperature: 1.100000 Total energy: -1400.794551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.794551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.794551 (E_RNA) where: Base-Base interactions energy: -933.835 where: short stacking energy: -394.530 Base-Backbone interact. energy: -2.603 local terms energy: -464.356404 where: bonds (distance) C4'-P energy: -91.929 bonds (distance) P-C4' energy: -107.655 flat angles C4'-P-C4' energy: -98.809 flat angles P-C4'-P energy: -76.411 tors. eta vs tors. theta energy: -89.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1235.895128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.895128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.895128 (E_RNA) where: Base-Base interactions energy: -772.226 where: short stacking energy: -344.001 Base-Backbone interact. energy: -1.302 local terms energy: -462.367231 where: bonds (distance) C4'-P energy: -92.155 bonds (distance) P-C4' energy: -105.608 flat angles C4'-P-C4' energy: -96.827 flat angles P-C4'-P energy: -70.847 tors. eta vs tors. theta energy: -96.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1136.469345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.469345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.469345 (E_RNA) where: Base-Base interactions energy: -711.250 where: short stacking energy: -317.534 Base-Backbone interact. energy: 1.368 local terms energy: -426.586711 where: bonds (distance) C4'-P energy: -100.296 bonds (distance) P-C4' energy: -95.801 flat angles C4'-P-C4' energy: -103.204 flat angles P-C4'-P energy: -62.731 tors. eta vs tors. theta energy: -64.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -689.424903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.424903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.424903 (E_RNA) where: Base-Base interactions energy: -340.580 where: short stacking energy: -189.150 Base-Backbone interact. energy: 3.028 local terms energy: -351.872418 where: bonds (distance) C4'-P energy: -97.948 bonds (distance) P-C4' energy: -98.830 flat angles C4'-P-C4' energy: -88.253 flat angles P-C4'-P energy: -48.302 tors. eta vs tors. theta energy: -18.539 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: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -459.668506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.668506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.668506 (E_RNA) where: Base-Base interactions energy: -155.520 where: short stacking energy: -111.367 Base-Backbone interact. energy: 0.594 local terms energy: -304.742707 where: bonds (distance) C4'-P energy: -103.857 bonds (distance) P-C4' energy: -90.607 flat angles C4'-P-C4' energy: -87.366 flat angles P-C4'-P energy: -43.643 tors. eta vs tors. theta energy: 20.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -419.885159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.885159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.885159 (E_RNA) where: Base-Base interactions energy: -135.784 where: short stacking energy: -103.510 Base-Backbone interact. energy: 2.930 local terms energy: -287.031266 where: bonds (distance) C4'-P energy: -87.401 bonds (distance) P-C4' energy: -94.999 flat angles C4'-P-C4' energy: -76.057 flat angles P-C4'-P energy: -44.671 tors. eta vs tors. theta energy: 16.096 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: 7 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1929.002949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.002949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.002949 (E_RNA) where: Base-Base interactions energy: -1314.894 where: short stacking energy: -591.171 Base-Backbone interact. energy: 0.797 local terms energy: -614.905083 where: bonds (distance) C4'-P energy: -113.378 bonds (distance) P-C4' energy: -113.475 flat angles C4'-P-C4' energy: -119.231 flat angles P-C4'-P energy: -90.763 tors. eta vs tors. theta energy: -178.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1825.141397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.141397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.141397 (E_RNA) where: Base-Base interactions energy: -1267.843 where: short stacking energy: -509.404 Base-Backbone interact. energy: -1.540 local terms energy: -555.758886 where: bonds (distance) C4'-P energy: -104.985 bonds (distance) P-C4' energy: -109.899 flat angles C4'-P-C4' energy: -118.123 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -150.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1687.890827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.890827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.890827 (E_RNA) where: Base-Base interactions energy: -1135.883 where: short stacking energy: -478.540 Base-Backbone interact. energy: -3.305 local terms energy: -548.703047 where: bonds (distance) C4'-P energy: -101.123 bonds (distance) P-C4' energy: -110.786 flat angles C4'-P-C4' energy: -121.384 flat angles P-C4'-P energy: -75.700 tors. eta vs tors. theta energy: -139.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1521.203207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.203207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.203207 (E_RNA) where: Base-Base interactions energy: -1035.455 where: short stacking energy: -435.355 Base-Backbone interact. energy: 0.320 local terms energy: -486.067382 where: bonds (distance) C4'-P energy: -103.566 bonds (distance) P-C4' energy: -103.365 flat angles C4'-P-C4' energy: -102.431 flat angles P-C4'-P energy: -74.502 tors. eta vs tors. theta energy: -102.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1408.183563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.183563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.183563 (E_RNA) where: Base-Base interactions energy: -925.698 where: short stacking energy: -377.653 Base-Backbone interact. energy: 0.516 local terms energy: -483.001751 where: bonds (distance) C4'-P energy: -106.074 bonds (distance) P-C4' energy: -89.607 flat angles C4'-P-C4' energy: -117.519 flat angles P-C4'-P energy: -62.964 tors. eta vs tors. theta energy: -106.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1171.473320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.473320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.473320 (E_RNA) where: Base-Base interactions energy: -727.437 where: short stacking energy: -321.265 Base-Backbone interact. energy: 0.481 local terms energy: -444.517251 where: bonds (distance) C4'-P energy: -96.171 bonds (distance) P-C4' energy: -102.704 flat angles C4'-P-C4' energy: -105.139 flat angles P-C4'-P energy: -69.089 tors. eta vs tors. theta energy: -71.415 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: 330 Temperature: 1.200000 Total energy: -1079.513768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.513768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.513768 (E_RNA) where: Base-Base interactions energy: -687.913 where: short stacking energy: -317.851 Base-Backbone interact. energy: -1.950 local terms energy: -389.650280 where: bonds (distance) C4'-P energy: -96.828 bonds (distance) P-C4' energy: -81.540 flat angles C4'-P-C4' energy: -86.997 flat angles P-C4'-P energy: -60.406 tors. eta vs tors. theta energy: -63.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -743.938656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.938656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.938656 (E_RNA) where: Base-Base interactions energy: -387.651 where: short stacking energy: -200.857 Base-Backbone interact. energy: -0.124 local terms energy: -356.163340 where: bonds (distance) C4'-P energy: -93.388 bonds (distance) P-C4' energy: -104.730 flat angles C4'-P-C4' energy: -85.583 flat angles P-C4'-P energy: -46.672 tors. eta vs tors. theta energy: -25.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -536.864076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.864076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.864076 (E_RNA) where: Base-Base interactions energy: -230.256 where: short stacking energy: -141.886 Base-Backbone interact. energy: 4.578 local terms energy: -311.185784 where: bonds (distance) C4'-P energy: -92.966 bonds (distance) P-C4' energy: -100.599 flat angles C4'-P-C4' energy: -81.300 flat angles P-C4'-P energy: -42.446 tors. eta vs tors. theta energy: 6.125 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: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -418.150142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.150142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.150142 (E_RNA) where: Base-Base interactions energy: -141.942 where: short stacking energy: -106.831 Base-Backbone interact. energy: 1.481 local terms energy: -277.689009 where: bonds (distance) C4'-P energy: -71.025 bonds (distance) P-C4' energy: -108.004 flat angles C4'-P-C4' energy: -75.807 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: 25.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1941.823175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.823175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.823175 (E_RNA) where: Base-Base interactions energy: -1352.074 where: short stacking energy: -571.559 Base-Backbone interact. energy: -1.306 local terms energy: -588.442788 where: bonds (distance) C4'-P energy: -104.975 bonds (distance) P-C4' energy: -102.437 flat angles C4'-P-C4' energy: -127.003 flat angles P-C4'-P energy: -77.768 tors. eta vs tors. theta energy: -176.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1860.828887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.828887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.828887 (E_RNA) where: Base-Base interactions energy: -1294.999 where: short stacking energy: -535.045 Base-Backbone interact. energy: -2.770 local terms energy: -563.060424 where: bonds (distance) C4'-P energy: -108.814 bonds (distance) P-C4' energy: -108.173 flat angles C4'-P-C4' energy: -116.242 flat angles P-C4'-P energy: -82.678 tors. eta vs tors. theta energy: -147.153 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: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1673.075620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.075620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.075620 (E_RNA) where: Base-Base interactions energy: -1122.590 where: short stacking energy: -469.582 Base-Backbone interact. energy: -3.108 local terms energy: -547.377892 where: bonds (distance) C4'-P energy: -104.620 bonds (distance) P-C4' energy: -109.391 flat angles C4'-P-C4' energy: -120.443 flat angles P-C4'-P energy: -71.394 tors. eta vs tors. theta energy: -141.531 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: 4, replica: 6 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1524.532459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.532459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.532459 (E_RNA) where: Base-Base interactions energy: -1022.786 where: short stacking energy: -406.525 Base-Backbone interact. energy: -5.187 local terms energy: -496.558887 where: bonds (distance) C4'-P energy: -90.514 bonds (distance) P-C4' energy: -109.536 flat angles C4'-P-C4' energy: -114.866 flat angles P-C4'-P energy: -65.444 tors. eta vs tors. theta energy: -116.198 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: 331 Temperature: 1.100000 Total energy: -1444.973049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.973049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.973049 (E_RNA) where: Base-Base interactions energy: -954.092 where: short stacking energy: -409.463 Base-Backbone interact. energy: 2.407 local terms energy: -493.288254 where: bonds (distance) C4'-P energy: -86.886 bonds (distance) P-C4' energy: -99.940 flat angles C4'-P-C4' energy: -118.173 flat angles P-C4'-P energy: -82.530 tors. eta vs tors. theta energy: -105.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1110.312440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.312440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.312440 (E_RNA) where: Base-Base interactions energy: -680.855 where: short stacking energy: -327.415 Base-Backbone interact. energy: -1.709 local terms energy: -427.748829 where: bonds (distance) C4'-P energy: -86.866 bonds (distance) P-C4' energy: -88.317 flat angles C4'-P-C4' energy: -103.302 flat angles P-C4'-P energy: -64.052 tors. eta vs tors. theta energy: -85.212 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: 7, replica: 8 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1075.221243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.221243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.221243 (E_RNA) where: Base-Base interactions energy: -686.453 where: short stacking energy: -323.980 Base-Backbone interact. energy: 5.523 local terms energy: -394.291603 where: bonds (distance) C4'-P energy: -90.538 bonds (distance) P-C4' energy: -79.077 flat angles C4'-P-C4' energy: -84.153 flat angles P-C4'-P energy: -74.333 tors. eta vs tors. theta energy: -66.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -781.612116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.612116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.612116 (E_RNA) where: Base-Base interactions energy: -443.100 where: short stacking energy: -222.183 Base-Backbone interact. energy: 3.943 local terms energy: -342.455026 where: bonds (distance) C4'-P energy: -89.871 bonds (distance) P-C4' energy: -84.027 flat angles C4'-P-C4' energy: -88.045 flat angles P-C4'-P energy: -55.563 tors. eta vs tors. theta energy: -24.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -437.082595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.082595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.082595 (E_RNA) where: Base-Base interactions energy: -146.666 where: short stacking energy: -127.099 Base-Backbone interact. energy: -0.092 local terms energy: -290.324469 where: bonds (distance) C4'-P energy: -103.337 bonds (distance) P-C4' energy: -94.159 flat angles C4'-P-C4' energy: -79.059 flat angles P-C4'-P energy: -38.282 tors. eta vs tors. theta energy: 24.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -424.332052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.332052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.332052 (E_RNA) where: Base-Base interactions energy: -140.606 where: short stacking energy: -99.769 Base-Backbone interact. energy: -0.155 local terms energy: -283.570501 where: bonds (distance) C4'-P energy: -98.416 bonds (distance) P-C4' energy: -86.934 flat angles C4'-P-C4' energy: -77.981 flat angles P-C4'-P energy: -39.268 tors. eta vs tors. theta energy: 19.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1936.168183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.168183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.168183 (E_RNA) where: Base-Base interactions energy: -1337.342 where: short stacking energy: -564.766 Base-Backbone interact. energy: 6.108 local terms energy: -604.934602 where: bonds (distance) C4'-P energy: -100.355 bonds (distance) P-C4' energy: -113.686 flat angles C4'-P-C4' energy: -129.773 flat angles P-C4'-P energy: -90.633 tors. eta vs tors. theta energy: -170.488 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: 2, replica: 3 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1839.727519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.727519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.727519 (E_RNA) where: Base-Base interactions energy: -1305.829 where: short stacking energy: -521.995 Base-Backbone interact. energy: -1.695 local terms energy: -532.203594 where: bonds (distance) C4'-P energy: -107.838 bonds (distance) P-C4' energy: -92.680 flat angles C4'-P-C4' energy: -112.982 flat angles P-C4'-P energy: -71.795 tors. eta vs tors. theta energy: -146.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1662.312906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.312906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.312906 (E_RNA) where: Base-Base interactions energy: -1128.382 where: short stacking energy: -469.225 Base-Backbone interact. energy: -1.392 local terms energy: -532.539050 where: bonds (distance) C4'-P energy: -98.525 bonds (distance) P-C4' energy: -110.723 flat angles C4'-P-C4' energy: -116.115 flat angles P-C4'-P energy: -75.084 tors. eta vs tors. theta energy: -132.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1510.249035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.249035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.249035 (E_RNA) where: Base-Base interactions energy: -1005.384 where: short stacking energy: -412.710 Base-Backbone interact. energy: 0.292 local terms energy: -505.156922 where: bonds (distance) C4'-P energy: -88.986 bonds (distance) P-C4' energy: -108.502 flat angles C4'-P-C4' energy: -118.399 flat angles P-C4'-P energy: -70.913 tors. eta vs tors. theta energy: -118.357 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: 332 Temperature: 1.100000 Total energy: -1473.617677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.617677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.617677 (E_RNA) where: Base-Base interactions energy: -956.693 where: short stacking energy: -396.227 Base-Backbone interact. energy: -3.652 local terms energy: -513.272298 where: bonds (distance) C4'-P energy: -106.883 bonds (distance) P-C4' energy: -113.927 flat angles C4'-P-C4' energy: -119.800 flat angles P-C4'-P energy: -66.389 tors. eta vs tors. theta energy: -106.273 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: 6, replica: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1096.935426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.935426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.935426 (E_RNA) where: Base-Base interactions energy: -671.449 where: short stacking energy: -340.784 Base-Backbone interact. energy: 6.029 local terms energy: -431.516027 where: bonds (distance) C4'-P energy: -93.923 bonds (distance) P-C4' energy: -92.157 flat angles C4'-P-C4' energy: -105.212 flat angles P-C4'-P energy: -61.836 tors. eta vs tors. theta energy: -78.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1033.136807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.136807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.136807 (E_RNA) where: Base-Base interactions energy: -625.226 where: short stacking energy: -287.003 Base-Backbone interact. energy: 0.238 local terms energy: -408.149086 where: bonds (distance) C4'-P energy: -84.310 bonds (distance) P-C4' energy: -105.628 flat angles C4'-P-C4' energy: -99.470 flat angles P-C4'-P energy: -65.058 tors. eta vs tors. theta energy: -53.682 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: 10 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -789.892986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.892986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.892986 (E_RNA) where: Base-Base interactions energy: -409.204 where: short stacking energy: -215.080 Base-Backbone interact. energy: -0.668 local terms energy: -380.020982 where: bonds (distance) C4'-P energy: -94.785 bonds (distance) P-C4' energy: -107.970 flat angles C4'-P-C4' energy: -72.812 flat angles P-C4'-P energy: -69.898 tors. eta vs tors. theta energy: -34.556 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: 4 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -565.953977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.953977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.953977 (E_RNA) where: Base-Base interactions energy: -264.229 where: short stacking energy: -153.698 Base-Backbone interact. energy: -1.141 local terms energy: -300.584404 where: bonds (distance) C4'-P energy: -87.428 bonds (distance) P-C4' energy: -92.179 flat angles C4'-P-C4' energy: -76.932 flat angles P-C4'-P energy: -42.522 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -444.942016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.942016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.942016 (E_RNA) where: Base-Base interactions energy: -146.899 where: short stacking energy: -122.720 Base-Backbone interact. energy: -1.591 local terms energy: -296.452493 where: bonds (distance) C4'-P energy: -91.561 bonds (distance) P-C4' energy: -114.702 flat angles C4'-P-C4' energy: -55.506 flat angles P-C4'-P energy: -53.425 tors. eta vs tors. theta energy: 18.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1926.335617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.335617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.335617 (E_RNA) where: Base-Base interactions energy: -1312.543 where: short stacking energy: -548.136 Base-Backbone interact. energy: 2.044 local terms energy: -615.835987 where: bonds (distance) C4'-P energy: -117.366 bonds (distance) P-C4' energy: -117.574 flat angles C4'-P-C4' energy: -125.878 flat angles P-C4'-P energy: -82.511 tors. eta vs tors. theta energy: -172.507 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: 3 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1838.790841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.790841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.790841 (E_RNA) where: Base-Base interactions energy: -1257.713 where: short stacking energy: -516.787 Base-Backbone interact. energy: -3.895 local terms energy: -577.182510 where: bonds (distance) C4'-P energy: -101.794 bonds (distance) P-C4' energy: -120.658 flat angles C4'-P-C4' energy: -121.910 flat angles P-C4'-P energy: -86.838 tors. eta vs tors. theta energy: -145.982 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: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1673.097312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.097312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.097312 (E_RNA) where: Base-Base interactions energy: -1155.827 where: short stacking energy: -489.860 Base-Backbone interact. energy: -2.050 local terms energy: -515.220204 where: bonds (distance) C4'-P energy: -91.521 bonds (distance) P-C4' energy: -97.868 flat angles C4'-P-C4' energy: -110.283 flat angles P-C4'-P energy: -75.865 tors. eta vs tors. theta energy: -139.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1505.001369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.001369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.001369 (E_RNA) where: Base-Base interactions energy: -980.257 where: short stacking energy: -425.886 Base-Backbone interact. energy: -3.571 local terms energy: -521.173136 where: bonds (distance) C4'-P energy: -114.270 bonds (distance) P-C4' energy: -91.784 flat angles C4'-P-C4' energy: -124.921 flat angles P-C4'-P energy: -79.550 tors. eta vs tors. theta energy: -110.648 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: 333 Temperature: 1.100000 Total energy: -1425.216896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.216896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.216896 (E_RNA) where: Base-Base interactions energy: -931.407 where: short stacking energy: -371.467 Base-Backbone interact. energy: -2.714 local terms energy: -491.096599 where: bonds (distance) C4'-P energy: -103.564 bonds (distance) P-C4' energy: -104.223 flat angles C4'-P-C4' energy: -110.213 flat angles P-C4'-P energy: -67.656 tors. eta vs tors. theta energy: -105.440 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: 6, replica: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1122.958444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.958444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.958444 (E_RNA) where: Base-Base interactions energy: -681.623 where: short stacking energy: -328.068 Base-Backbone interact. energy: 2.436 local terms energy: -443.771777 where: bonds (distance) C4'-P energy: -106.654 bonds (distance) P-C4' energy: -93.082 flat angles C4'-P-C4' energy: -97.512 flat angles P-C4'-P energy: -66.194 tors. eta vs tors. theta energy: -80.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1085.910345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.910345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.910345 (E_RNA) where: Base-Base interactions energy: -648.162 where: short stacking energy: -316.524 Base-Backbone interact. energy: -1.665 local terms energy: -436.083150 where: bonds (distance) C4'-P energy: -98.171 bonds (distance) P-C4' energy: -101.474 flat angles C4'-P-C4' energy: -106.989 flat angles P-C4'-P energy: -71.182 tors. eta vs tors. theta energy: -58.267 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: 10 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -839.674258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.674258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.674258 (E_RNA) where: Base-Base interactions energy: -485.253 where: short stacking energy: -267.863 Base-Backbone interact. energy: -1.806 local terms energy: -352.615664 where: bonds (distance) C4'-P energy: -74.313 bonds (distance) P-C4' energy: -91.521 flat angles C4'-P-C4' energy: -95.763 flat angles P-C4'-P energy: -58.327 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: 9, replica: 4 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -564.227063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.227063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.227063 (E_RNA) where: Base-Base interactions energy: -253.773 where: short stacking energy: -133.691 Base-Backbone interact. energy: 6.147 local terms energy: -316.601133 where: bonds (distance) C4'-P energy: -91.618 bonds (distance) P-C4' energy: -96.377 flat angles C4'-P-C4' energy: -75.876 flat angles P-C4'-P energy: -46.895 tors. eta vs tors. theta energy: -5.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -430.429010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.429010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.429010 (E_RNA) where: Base-Base interactions energy: -130.101 where: short stacking energy: -107.823 Base-Backbone interact. energy: 1.024 local terms energy: -301.352475 where: bonds (distance) C4'-P energy: -98.720 bonds (distance) P-C4' energy: -99.182 flat angles C4'-P-C4' energy: -79.573 flat angles P-C4'-P energy: -39.509 tors. eta vs tors. theta energy: 15.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1917.994242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.994242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.994242 (E_RNA) where: Base-Base interactions energy: -1307.379 where: short stacking energy: -577.860 Base-Backbone interact. energy: 0.283 local terms energy: -610.897996 where: bonds (distance) C4'-P energy: -115.419 bonds (distance) P-C4' energy: -116.129 flat angles C4'-P-C4' energy: -126.906 flat angles P-C4'-P energy: -85.398 tors. eta vs tors. theta energy: -167.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1809.209326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.209326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.209326 (E_RNA) where: Base-Base interactions energy: -1229.125 where: short stacking energy: -516.679 Base-Backbone interact. energy: -2.160 local terms energy: -577.924780 where: bonds (distance) C4'-P energy: -117.339 bonds (distance) P-C4' energy: -100.520 flat angles C4'-P-C4' energy: -120.736 flat angles P-C4'-P energy: -78.551 tors. eta vs tors. theta energy: -160.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1696.317070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.317070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.317070 (E_RNA) where: Base-Base interactions energy: -1152.209 where: short stacking energy: -485.287 Base-Backbone interact. energy: 1.004 local terms energy: -545.111190 where: bonds (distance) C4'-P energy: -106.836 bonds (distance) P-C4' energy: -100.803 flat angles C4'-P-C4' energy: -111.998 flat angles P-C4'-P energy: -84.624 tors. eta vs tors. theta energy: -140.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1498.004407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.004407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.004407 (E_RNA) where: Base-Base interactions energy: -983.502 where: short stacking energy: -441.344 Base-Backbone interact. energy: -2.051 local terms energy: -512.451688 where: bonds (distance) C4'-P energy: -104.415 bonds (distance) P-C4' energy: -108.194 flat angles C4'-P-C4' energy: -104.396 flat angles P-C4'-P energy: -78.231 tors. eta vs tors. theta energy: -117.216 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: 334 Temperature: 1.100000 Total energy: -1454.535429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.535429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.535429 (E_RNA) where: Base-Base interactions energy: -971.233 where: short stacking energy: -415.384 Base-Backbone interact. energy: -2.521 local terms energy: -480.781463 where: bonds (distance) C4'-P energy: -105.735 bonds (distance) P-C4' energy: -84.626 flat angles C4'-P-C4' energy: -115.983 flat angles P-C4'-P energy: -65.734 tors. eta vs tors. theta energy: -108.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1093.346263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.346263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.346263 (E_RNA) where: Base-Base interactions energy: -667.704 where: short stacking energy: -316.398 Base-Backbone interact. energy: 3.283 local terms energy: -428.925952 where: bonds (distance) C4'-P energy: -90.272 bonds (distance) P-C4' energy: -98.678 flat angles C4'-P-C4' energy: -111.682 flat angles P-C4'-P energy: -55.438 tors. eta vs tors. theta energy: -72.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1067.752013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.752013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.752013 (E_RNA) where: Base-Base interactions energy: -647.673 where: short stacking energy: -319.255 Base-Backbone interact. energy: -4.367 local terms energy: -415.712230 where: bonds (distance) C4'-P energy: -90.975 bonds (distance) P-C4' energy: -91.371 flat angles C4'-P-C4' energy: -101.368 flat angles P-C4'-P energy: -64.483 tors. eta vs tors. theta energy: -67.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -791.873205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.873205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.873205 (E_RNA) where: Base-Base interactions energy: -441.609 where: short stacking energy: -211.377 Base-Backbone interact. energy: -0.338 local terms energy: -349.925985 where: bonds (distance) C4'-P energy: -95.301 bonds (distance) P-C4' energy: -98.436 flat angles C4'-P-C4' energy: -99.326 flat angles P-C4'-P energy: -49.304 tors. eta vs tors. theta energy: -7.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -521.777426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.777426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.777426 (E_RNA) where: Base-Base interactions energy: -216.649 where: short stacking energy: -153.828 Base-Backbone interact. energy: 1.529 local terms energy: -306.657477 where: bonds (distance) C4'-P energy: -94.396 bonds (distance) P-C4' energy: -93.639 flat angles C4'-P-C4' energy: -76.661 flat angles P-C4'-P energy: -44.781 tors. eta vs tors. theta energy: 2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -408.075991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.075991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.075991 (E_RNA) where: Base-Base interactions energy: -123.103 where: short stacking energy: -105.405 Base-Backbone interact. energy: -0.900 local terms energy: -284.073696 where: bonds (distance) C4'-P energy: -90.602 bonds (distance) P-C4' energy: -92.716 flat angles C4'-P-C4' energy: -65.715 flat angles P-C4'-P energy: -52.606 tors. eta vs tors. theta energy: 17.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1919.144848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.144848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.144848 (E_RNA) where: Base-Base interactions energy: -1323.048 where: short stacking energy: -560.168 Base-Backbone interact. energy: -2.954 local terms energy: -593.142960 where: bonds (distance) C4'-P energy: -101.729 bonds (distance) P-C4' energy: -104.599 flat angles C4'-P-C4' energy: -126.120 flat angles P-C4'-P energy: -90.519 tors. eta vs tors. theta energy: -170.176 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: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1825.882684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.882684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.882684 (E_RNA) where: Base-Base interactions energy: -1258.542 where: short stacking energy: -507.660 Base-Backbone interact. energy: -1.291 local terms energy: -566.049155 where: bonds (distance) C4'-P energy: -104.744 bonds (distance) P-C4' energy: -107.402 flat angles C4'-P-C4' energy: -120.094 flat angles P-C4'-P energy: -80.539 tors. eta vs tors. theta energy: -153.271 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: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1688.797474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.797474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.797474 (E_RNA) where: Base-Base interactions energy: -1155.504 where: short stacking energy: -475.095 Base-Backbone interact. energy: -3.043 local terms energy: -530.251368 where: bonds (distance) C4'-P energy: -93.916 bonds (distance) P-C4' energy: -108.297 flat angles C4'-P-C4' energy: -118.611 flat angles P-C4'-P energy: -73.245 tors. eta vs tors. theta energy: -136.182 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: 4, replica: 6 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1574.519865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.519865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.519865 (E_RNA) where: Base-Base interactions energy: -1058.525 where: short stacking energy: -454.514 Base-Backbone interact. energy: -4.487 local terms energy: -511.508336 where: bonds (distance) C4'-P energy: -100.107 bonds (distance) P-C4' energy: -107.607 flat angles C4'-P-C4' energy: -107.759 flat angles P-C4'-P energy: -63.939 tors. eta vs tors. theta energy: -132.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1450.079752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.079752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.079752 (E_RNA) where: Base-Base interactions energy: -941.424 where: short stacking energy: -396.686 Base-Backbone interact. energy: -2.479 local terms energy: -506.176385 where: bonds (distance) C4'-P energy: -113.331 bonds (distance) P-C4' energy: -94.982 flat angles C4'-P-C4' energy: -123.806 flat angles P-C4'-P energy: -73.719 tors. eta vs tors. theta energy: -100.338 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: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1106.441366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.441366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.441366 (E_RNA) where: Base-Base interactions energy: -697.421 where: short stacking energy: -333.095 Base-Backbone interact. energy: -1.086 local terms energy: -407.934357 where: bonds (distance) C4'-P energy: -91.244 bonds (distance) P-C4' energy: -90.906 flat angles C4'-P-C4' energy: -107.793 flat angles P-C4'-P energy: -50.330 tors. eta vs tors. theta energy: -67.661 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: 8 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1068.037900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.037900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.037900 (E_RNA) where: Base-Base interactions energy: -667.660 where: short stacking energy: -306.250 Base-Backbone interact. energy: 2.176 local terms energy: -402.553952 where: bonds (distance) C4'-P energy: -84.790 bonds (distance) P-C4' energy: -79.533 flat angles C4'-P-C4' energy: -108.520 flat angles P-C4'-P energy: -67.771 tors. eta vs tors. theta energy: -61.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -715.389375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.389375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.389375 (E_RNA) where: Base-Base interactions energy: -346.280 where: short stacking energy: -176.683 Base-Backbone interact. energy: 3.515 local terms energy: -372.623705 where: bonds (distance) C4'-P energy: -98.045 bonds (distance) P-C4' energy: -98.856 flat angles C4'-P-C4' energy: -101.378 flat angles P-C4'-P energy: -68.501 tors. eta vs tors. theta energy: -5.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -511.576019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.576019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.576019 (E_RNA) where: Base-Base interactions energy: -226.734 where: short stacking energy: -134.520 Base-Backbone interact. energy: -0.877 local terms energy: -283.965046 where: bonds (distance) C4'-P energy: -82.180 bonds (distance) P-C4' energy: -95.613 flat angles C4'-P-C4' energy: -64.956 flat angles P-C4'-P energy: -53.647 tors. eta vs tors. theta energy: 12.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -415.353955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.353955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.353955 (E_RNA) where: Base-Base interactions energy: -139.937 where: short stacking energy: -115.273 Base-Backbone interact. energy: 5.598 local terms energy: -281.014877 where: bonds (distance) C4'-P energy: -83.763 bonds (distance) P-C4' energy: -93.440 flat angles C4'-P-C4' energy: -71.752 flat angles P-C4'-P energy: -45.926 tors. eta vs tors. theta energy: 13.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1914.055128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.055128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.055128 (E_RNA) where: Base-Base interactions energy: -1328.157 where: short stacking energy: -555.242 Base-Backbone interact. energy: -3.746 local terms energy: -582.152792 where: bonds (distance) C4'-P energy: -111.873 bonds (distance) P-C4' energy: -94.127 flat angles C4'-P-C4' energy: -129.392 flat angles P-C4'-P energy: -80.583 tors. eta vs tors. theta energy: -166.178 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: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1826.628961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.628961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.628961 (E_RNA) where: Base-Base interactions energy: -1268.416 where: short stacking energy: -537.135 Base-Backbone interact. energy: 2.237 local terms energy: -560.450290 where: bonds (distance) C4'-P energy: -99.544 bonds (distance) P-C4' energy: -109.653 flat angles C4'-P-C4' energy: -126.551 flat angles P-C4'-P energy: -70.534 tors. eta vs tors. theta energy: -154.169 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: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1676.990800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.990800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.990800 (E_RNA) where: Base-Base interactions energy: -1147.408 where: short stacking energy: -475.655 Base-Backbone interact. energy: -2.419 local terms energy: -527.163166 where: bonds (distance) C4'-P energy: -95.133 bonds (distance) P-C4' energy: -111.053 flat angles C4'-P-C4' energy: -113.800 flat angles P-C4'-P energy: -67.787 tors. eta vs tors. theta energy: -139.390 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: 336 Temperature: 1.050000 Total energy: -1523.302639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.302639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.302639 (E_RNA) where: Base-Base interactions energy: -1011.320 where: short stacking energy: -423.923 Base-Backbone interact. energy: -1.556 local terms energy: -510.425984 where: bonds (distance) C4'-P energy: -96.843 bonds (distance) P-C4' energy: -105.878 flat angles C4'-P-C4' energy: -112.482 flat angles P-C4'-P energy: -77.440 tors. eta vs tors. theta energy: -117.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1396.447039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.447039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.447039 (E_RNA) where: Base-Base interactions energy: -907.260 where: short stacking energy: -364.786 Base-Backbone interact. energy: 0.077 local terms energy: -489.264359 where: bonds (distance) C4'-P energy: -105.336 bonds (distance) P-C4' energy: -105.713 flat angles C4'-P-C4' energy: -102.529 flat angles P-C4'-P energy: -75.984 tors. eta vs tors. theta energy: -99.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1094.412620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.412620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.412620 (E_RNA) where: Base-Base interactions energy: -662.538 where: short stacking energy: -303.776 Base-Backbone interact. energy: 1.212 local terms energy: -433.086253 where: bonds (distance) C4'-P energy: -92.876 bonds (distance) P-C4' energy: -116.382 flat angles C4'-P-C4' energy: -109.892 flat angles P-C4'-P energy: -52.556 tors. eta vs tors. theta energy: -61.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1039.360175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.360175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.360175 (E_RNA) where: Base-Base interactions energy: -633.845 where: short stacking energy: -308.384 Base-Backbone interact. energy: 1.255 local terms energy: -406.770370 where: bonds (distance) C4'-P energy: -93.050 bonds (distance) P-C4' energy: -96.862 flat angles C4'-P-C4' energy: -95.362 flat angles P-C4'-P energy: -57.708 tors. eta vs tors. theta energy: -63.787 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: 8, replica: 10 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -825.985688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.985688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.985688 (E_RNA) where: Base-Base interactions energy: -499.975 where: short stacking energy: -241.889 Base-Backbone interact. energy: -0.701 local terms energy: -325.310325 where: bonds (distance) C4'-P energy: -81.063 bonds (distance) P-C4' energy: -92.793 flat angles C4'-P-C4' energy: -83.218 flat angles P-C4'-P energy: -48.218 tors. eta vs tors. theta energy: -20.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -486.454550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.454550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.454550 (E_RNA) where: Base-Base interactions energy: -189.581 where: short stacking energy: -150.443 Base-Backbone interact. energy: -1.499 local terms energy: -295.374228 where: bonds (distance) C4'-P energy: -91.690 bonds (distance) P-C4' energy: -99.036 flat angles C4'-P-C4' energy: -68.886 flat angles P-C4'-P energy: -40.881 tors. eta vs tors. theta energy: 5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -443.251623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.251623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.251623 (E_RNA) where: Base-Base interactions energy: -141.333 where: short stacking energy: -127.577 Base-Backbone interact. energy: -0.668 local terms energy: -301.251154 where: bonds (distance) C4'-P energy: -86.528 bonds (distance) P-C4' energy: -88.353 flat angles C4'-P-C4' energy: -80.336 flat angles P-C4'-P energy: -43.726 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1909.607789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.607789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.607789 (E_RNA) where: Base-Base interactions energy: -1281.866 where: short stacking energy: -533.800 Base-Backbone interact. energy: -3.537 local terms energy: -624.204492 where: bonds (distance) C4'-P energy: -116.597 bonds (distance) P-C4' energy: -121.044 flat angles C4'-P-C4' energy: -125.591 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -168.587 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: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1840.826478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.826478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.826478 (E_RNA) where: Base-Base interactions energy: -1254.433 where: short stacking energy: -520.831 Base-Backbone interact. energy: -0.227 local terms energy: -586.166225 where: bonds (distance) C4'-P energy: -115.204 bonds (distance) P-C4' energy: -107.545 flat angles C4'-P-C4' energy: -124.109 flat angles P-C4'-P energy: -86.687 tors. eta vs tors. theta energy: -152.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1716.635177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.635177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.635177 (E_RNA) where: Base-Base interactions energy: -1181.765 where: short stacking energy: -512.067 Base-Backbone interact. energy: -3.013 local terms energy: -531.857171 where: bonds (distance) C4'-P energy: -105.465 bonds (distance) P-C4' energy: -89.524 flat angles C4'-P-C4' energy: -121.875 flat angles P-C4'-P energy: -62.345 tors. eta vs tors. theta energy: -152.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1566.736967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.736967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.736967 (E_RNA) where: Base-Base interactions energy: -1041.316 where: short stacking energy: -439.530 Base-Backbone interact. energy: -4.521 local terms energy: -520.900169 where: bonds (distance) C4'-P energy: -110.834 bonds (distance) P-C4' energy: -106.517 flat angles C4'-P-C4' energy: -112.927 flat angles P-C4'-P energy: -65.620 tors. eta vs tors. theta energy: -125.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1391.673081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.673081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.673081 (E_RNA) where: Base-Base interactions energy: -921.167 where: short stacking energy: -387.372 Base-Backbone interact. energy: -3.191 local terms energy: -467.315486 where: bonds (distance) C4'-P energy: -91.011 bonds (distance) P-C4' energy: -99.840 flat angles C4'-P-C4' energy: -95.937 flat angles P-C4'-P energy: -70.902 tors. eta vs tors. theta energy: -109.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1056.315308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.315308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.315308 (E_RNA) where: Base-Base interactions energy: -620.980 where: short stacking energy: -297.758 Base-Backbone interact. energy: 2.539 local terms energy: -437.873702 where: bonds (distance) C4'-P energy: -101.834 bonds (distance) P-C4' energy: -99.448 flat angles C4'-P-C4' energy: -96.446 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: -71.518 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: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1006.824128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.824128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.824128 (E_RNA) where: Base-Base interactions energy: -613.011 where: short stacking energy: -298.697 Base-Backbone interact. energy: 0.693 local terms energy: -394.506001 where: bonds (distance) C4'-P energy: -94.177 bonds (distance) P-C4' energy: -79.195 flat angles C4'-P-C4' energy: -94.437 flat angles P-C4'-P energy: -64.891 tors. eta vs tors. theta energy: -61.806 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: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -838.630173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.630173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.630173 (E_RNA) where: Base-Base interactions energy: -452.567 where: short stacking energy: -221.425 Base-Backbone interact. energy: -2.008 local terms energy: -384.055299 where: bonds (distance) C4'-P energy: -91.843 bonds (distance) P-C4' energy: -107.786 flat angles C4'-P-C4' energy: -96.789 flat angles P-C4'-P energy: -56.987 tors. eta vs tors. theta energy: -30.650 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: 4 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -500.123911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.123911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.123911 (E_RNA) where: Base-Base interactions energy: -214.271 where: short stacking energy: -135.530 Base-Backbone interact. energy: -2.923 local terms energy: -282.930409 where: bonds (distance) C4'-P energy: -77.916 bonds (distance) P-C4' energy: -95.388 flat angles C4'-P-C4' energy: -72.891 flat angles P-C4'-P energy: -54.016 tors. eta vs tors. theta energy: 17.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -416.642431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.642431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.642431 (E_RNA) where: Base-Base interactions energy: -141.296 where: short stacking energy: -116.285 Base-Backbone interact. energy: 0.887 local terms energy: -276.233759 where: bonds (distance) C4'-P energy: -88.442 bonds (distance) P-C4' energy: -105.896 flat angles C4'-P-C4' energy: -70.399 flat angles P-C4'-P energy: -39.310 tors. eta vs tors. theta energy: 27.813 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: 338 Temperature: 0.900000 Total energy: -1904.444978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.444978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.444978 (E_RNA) where: Base-Base interactions energy: -1313.446 where: short stacking energy: -562.146 Base-Backbone interact. energy: -1.080 local terms energy: -589.919392 where: bonds (distance) C4'-P energy: -97.495 bonds (distance) P-C4' energy: -104.443 flat angles C4'-P-C4' energy: -130.795 flat angles P-C4'-P energy: -81.001 tors. eta vs tors. theta energy: -176.185 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: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1830.805679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.805679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.805679 (E_RNA) where: Base-Base interactions energy: -1241.380 where: short stacking energy: -522.409 Base-Backbone interact. energy: -1.306 local terms energy: -588.119327 where: bonds (distance) C4'-P energy: -105.412 bonds (distance) P-C4' energy: -116.483 flat angles C4'-P-C4' energy: -127.062 flat angles P-C4'-P energy: -80.062 tors. eta vs tors. theta energy: -159.100 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: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1661.220760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.220760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.220760 (E_RNA) where: Base-Base interactions energy: -1106.986 where: short stacking energy: -486.795 Base-Backbone interact. energy: -0.868 local terms energy: -553.366783 where: bonds (distance) C4'-P energy: -97.145 bonds (distance) P-C4' energy: -112.654 flat angles C4'-P-C4' energy: -115.949 flat angles P-C4'-P energy: -79.037 tors. eta vs tors. theta energy: -148.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1554.693879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.693879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.693879 (E_RNA) where: Base-Base interactions energy: -1052.739 where: short stacking energy: -433.869 Base-Backbone interact. energy: -2.572 local terms energy: -499.382287 where: bonds (distance) C4'-P energy: -107.776 bonds (distance) P-C4' energy: -95.479 flat angles C4'-P-C4' energy: -117.152 flat angles P-C4'-P energy: -73.153 tors. eta vs tors. theta energy: -105.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1393.953448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.953448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.953448 (E_RNA) where: Base-Base interactions energy: -910.100 where: short stacking energy: -395.204 Base-Backbone interact. energy: -0.258 local terms energy: -483.595061 where: bonds (distance) C4'-P energy: -103.845 bonds (distance) P-C4' energy: -110.565 flat angles C4'-P-C4' energy: -105.444 flat angles P-C4'-P energy: -59.025 tors. eta vs tors. theta energy: -104.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1106.881869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.881869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.881869 (E_RNA) where: Base-Base interactions energy: -677.437 where: short stacking energy: -304.892 Base-Backbone interact. energy: 4.821 local terms energy: -434.266141 where: bonds (distance) C4'-P energy: -103.832 bonds (distance) P-C4' energy: -92.282 flat angles C4'-P-C4' energy: -111.203 flat angles P-C4'-P energy: -55.095 tors. eta vs tors. theta energy: -71.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1022.662867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.662867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.662867 (E_RNA) where: Base-Base interactions energy: -632.922 where: short stacking energy: -276.508 Base-Backbone interact. energy: -1.431 local terms energy: -388.309836 where: bonds (distance) C4'-P energy: -94.238 bonds (distance) P-C4' energy: -96.659 flat angles C4'-P-C4' energy: -92.226 flat angles P-C4'-P energy: -58.551 tors. eta vs tors. theta energy: -46.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -796.542432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.542432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.542432 (E_RNA) where: Base-Base interactions energy: -462.636 where: short stacking energy: -227.479 Base-Backbone interact. energy: -2.295 local terms energy: -331.611756 where: bonds (distance) C4'-P energy: -96.273 bonds (distance) P-C4' energy: -88.766 flat angles C4'-P-C4' energy: -69.234 flat angles P-C4'-P energy: -36.917 tors. eta vs tors. theta energy: -40.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -498.150272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.150272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.150272 (E_RNA) where: Base-Base interactions energy: -207.955 where: short stacking energy: -143.361 Base-Backbone interact. energy: 2.231 local terms energy: -292.425972 where: bonds (distance) C4'-P energy: -81.440 bonds (distance) P-C4' energy: -109.295 flat angles C4'-P-C4' energy: -62.749 flat angles P-C4'-P energy: -45.957 tors. eta vs tors. theta energy: 7.015 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: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -413.354761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.354761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.354761 (E_RNA) where: Base-Base interactions energy: -143.722 where: short stacking energy: -103.892 Base-Backbone interact. energy: -0.365 local terms energy: -269.267671 where: bonds (distance) C4'-P energy: -92.175 bonds (distance) P-C4' energy: -99.824 flat angles C4'-P-C4' energy: -77.159 flat angles P-C4'-P energy: -35.837 tors. eta vs tors. theta energy: 35.728 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: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1901.669843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.669843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.669843 (E_RNA) where: Base-Base interactions energy: -1288.557 where: short stacking energy: -535.491 Base-Backbone interact. energy: -3.292 local terms energy: -609.820763 where: bonds (distance) C4'-P energy: -110.253 bonds (distance) P-C4' energy: -113.419 flat angles C4'-P-C4' energy: -120.720 flat angles P-C4'-P energy: -85.812 tors. eta vs tors. theta energy: -179.618 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: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1868.691714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.691714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.691714 (E_RNA) where: Base-Base interactions energy: -1293.923 where: short stacking energy: -527.668 Base-Backbone interact. energy: -1.196 local terms energy: -573.573080 where: bonds (distance) C4'-P energy: -101.974 bonds (distance) P-C4' energy: -116.906 flat angles C4'-P-C4' energy: -126.726 flat angles P-C4'-P energy: -72.268 tors. eta vs tors. theta energy: -155.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1693.393717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.393717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.393717 (E_RNA) where: Base-Base interactions energy: -1140.128 where: short stacking energy: -483.599 Base-Backbone interact. energy: 1.192 local terms energy: -554.457932 where: bonds (distance) C4'-P energy: -95.441 bonds (distance) P-C4' energy: -119.109 flat angles C4'-P-C4' energy: -114.494 flat angles P-C4'-P energy: -81.099 tors. eta vs tors. theta energy: -144.316 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: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1554.966916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.966916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.966916 (E_RNA) where: Base-Base interactions energy: -1028.687 where: short stacking energy: -448.733 Base-Backbone interact. energy: -0.924 local terms energy: -525.356105 where: bonds (distance) C4'-P energy: -105.676 bonds (distance) P-C4' energy: -102.507 flat angles C4'-P-C4' energy: -115.218 flat angles P-C4'-P energy: -75.844 tors. eta vs tors. theta energy: -126.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1398.957865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.957865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.957865 (E_RNA) where: Base-Base interactions energy: -932.059 where: short stacking energy: -400.192 Base-Backbone interact. energy: 1.986 local terms energy: -468.884594 where: bonds (distance) C4'-P energy: -90.520 bonds (distance) P-C4' energy: -99.948 flat angles C4'-P-C4' energy: -103.577 flat angles P-C4'-P energy: -68.182 tors. eta vs tors. theta energy: -106.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1156.327021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.327021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.327021 (E_RNA) where: Base-Base interactions energy: -738.348 where: short stacking energy: -338.568 Base-Backbone interact. energy: -0.946 local terms energy: -417.032869 where: bonds (distance) C4'-P energy: -97.151 bonds (distance) P-C4' energy: -110.013 flat angles C4'-P-C4' energy: -83.029 flat angles P-C4'-P energy: -51.839 tors. eta vs tors. theta energy: -75.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1055.307487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.307487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.307487 (E_RNA) where: Base-Base interactions energy: -635.407 where: short stacking energy: -279.379 Base-Backbone interact. energy: 1.048 local terms energy: -420.948146 where: bonds (distance) C4'-P energy: -99.463 bonds (distance) P-C4' energy: -105.088 flat angles C4'-P-C4' energy: -91.678 flat angles P-C4'-P energy: -51.679 tors. eta vs tors. theta energy: -73.040 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: 10 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -844.912423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.912423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.912423 (E_RNA) where: Base-Base interactions energy: -467.677 where: short stacking energy: -216.311 Base-Backbone interact. energy: -0.517 local terms energy: -376.718670 where: bonds (distance) C4'-P energy: -89.875 bonds (distance) P-C4' energy: -95.596 flat angles C4'-P-C4' energy: -90.505 flat angles P-C4'-P energy: -65.904 tors. eta vs tors. theta energy: -34.840 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: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -468.835863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.835863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.835863 (E_RNA) where: Base-Base interactions energy: -183.662 where: short stacking energy: -155.034 Base-Backbone interact. energy: 0.404 local terms energy: -285.577320 where: bonds (distance) C4'-P energy: -80.307 bonds (distance) P-C4' energy: -79.611 flat angles C4'-P-C4' energy: -82.590 flat angles P-C4'-P energy: -51.249 tors. eta vs tors. theta energy: 8.181 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: 339 Temperature: 1.350000 Total energy: -411.546328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.546328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.546328 (E_RNA) where: Base-Base interactions energy: -122.738 where: short stacking energy: -104.155 Base-Backbone interact. energy: 2.475 local terms energy: -291.283929 where: bonds (distance) C4'-P energy: -80.929 bonds (distance) P-C4' energy: -100.395 flat angles C4'-P-C4' energy: -82.129 flat angles P-C4'-P energy: -55.967 tors. eta vs tors. theta energy: 28.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1903.573086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.573086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.573086 (E_RNA) where: Base-Base interactions energy: -1290.347 where: short stacking energy: -556.932 Base-Backbone interact. energy: -1.503 local terms energy: -611.723674 where: bonds (distance) C4'-P energy: -112.666 bonds (distance) P-C4' energy: -113.354 flat angles C4'-P-C4' energy: -125.071 flat angles P-C4'-P energy: -79.003 tors. eta vs tors. theta energy: -181.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1836.607808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.607808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.607808 (E_RNA) where: Base-Base interactions energy: -1274.442 where: short stacking energy: -527.692 Base-Backbone interact. energy: -1.315 local terms energy: -560.850390 where: bonds (distance) C4'-P energy: -110.757 bonds (distance) P-C4' energy: -106.932 flat angles C4'-P-C4' energy: -121.590 flat angles P-C4'-P energy: -70.735 tors. eta vs tors. theta energy: -150.837 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: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1672.876570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.876570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.876570 (E_RNA) where: Base-Base interactions energy: -1135.432 where: short stacking energy: -480.004 Base-Backbone interact. energy: -4.384 local terms energy: -533.060809 where: bonds (distance) C4'-P energy: -96.153 bonds (distance) P-C4' energy: -106.010 flat angles C4'-P-C4' energy: -123.945 flat angles P-C4'-P energy: -68.710 tors. eta vs tors. theta energy: -138.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1543.910039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.910039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.910039 (E_RNA) where: Base-Base interactions energy: -1018.991 where: short stacking energy: -427.915 Base-Backbone interact. energy: -0.957 local terms energy: -523.962433 where: bonds (distance) C4'-P energy: -101.182 bonds (distance) P-C4' energy: -104.040 flat angles C4'-P-C4' energy: -109.614 flat angles P-C4'-P energy: -83.279 tors. eta vs tors. theta energy: -125.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1443.015098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.015098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.015098 (E_RNA) where: Base-Base interactions energy: -962.845 where: short stacking energy: -402.458 Base-Backbone interact. energy: 0.824 local terms energy: -480.994023 where: bonds (distance) C4'-P energy: -90.204 bonds (distance) P-C4' energy: -97.499 flat angles C4'-P-C4' energy: -119.413 flat angles P-C4'-P energy: -66.792 tors. eta vs tors. theta energy: -107.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1109.009526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.009526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.009526 (E_RNA) where: Base-Base interactions energy: -685.256 where: short stacking energy: -343.410 Base-Backbone interact. energy: 0.966 local terms energy: -424.720010 where: bonds (distance) C4'-P energy: -89.820 bonds (distance) P-C4' energy: -95.091 flat angles C4'-P-C4' energy: -104.766 flat angles P-C4'-P energy: -58.158 tors. eta vs tors. theta energy: -76.885 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: 7, replica: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1098.549744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.549744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.549744 (E_RNA) where: Base-Base interactions energy: -675.971 where: short stacking energy: -297.852 Base-Backbone interact. energy: -3.002 local terms energy: -419.576733 where: bonds (distance) C4'-P energy: -102.968 bonds (distance) P-C4' energy: -86.334 flat angles C4'-P-C4' energy: -106.787 flat angles P-C4'-P energy: -72.075 tors. eta vs tors. theta energy: -51.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -880.530787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.530787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.530787 (E_RNA) where: Base-Base interactions energy: -486.817 where: short stacking energy: -259.853 Base-Backbone interact. energy: -3.727 local terms energy: -389.986493 where: bonds (distance) C4'-P energy: -100.987 bonds (distance) P-C4' energy: -102.571 flat angles C4'-P-C4' energy: -79.473 flat angles P-C4'-P energy: -59.245 tors. eta vs tors. theta energy: -47.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -473.769327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.769327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.769327 (E_RNA) where: Base-Base interactions energy: -176.465 where: short stacking energy: -131.319 Base-Backbone interact. energy: -0.616 local terms energy: -296.688514 where: bonds (distance) C4'-P energy: -78.480 bonds (distance) P-C4' energy: -92.584 flat angles C4'-P-C4' energy: -79.357 flat angles P-C4'-P energy: -46.981 tors. eta vs tors. theta energy: 0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -431.446031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.446031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.446031 (E_RNA) where: Base-Base interactions energy: -138.497 where: short stacking energy: -102.681 Base-Backbone interact. energy: 11.098 local terms energy: -304.047796 where: bonds (distance) C4'-P energy: -93.940 bonds (distance) P-C4' energy: -104.822 flat angles C4'-P-C4' energy: -82.744 flat angles P-C4'-P energy: -55.557 tors. eta vs tors. theta energy: 33.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1911.287487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.287487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.287487 (E_RNA) where: Base-Base interactions energy: -1306.915 where: short stacking energy: -588.827 Base-Backbone interact. energy: 2.392 local terms energy: -606.764416 where: bonds (distance) C4'-P energy: -109.255 bonds (distance) P-C4' energy: -109.063 flat angles C4'-P-C4' energy: -127.414 flat angles P-C4'-P energy: -84.068 tors. eta vs tors. theta energy: -176.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1807.771111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.771111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.771111 (E_RNA) where: Base-Base interactions energy: -1250.442 where: short stacking energy: -492.010 Base-Backbone interact. energy: -1.298 local terms energy: -556.031188 where: bonds (distance) C4'-P energy: -118.446 bonds (distance) P-C4' energy: -101.391 flat angles C4'-P-C4' energy: -119.152 flat angles P-C4'-P energy: -72.826 tors. eta vs tors. theta energy: -144.217 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: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1654.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.567346 (E_RNA) where: Base-Base interactions energy: -1112.148 where: short stacking energy: -467.530 Base-Backbone interact. energy: -3.022 local terms energy: -539.396784 where: bonds (distance) C4'-P energy: -103.843 bonds (distance) P-C4' energy: -106.815 flat angles C4'-P-C4' energy: -110.507 flat angles P-C4'-P energy: -72.650 tors. eta vs tors. theta energy: -145.582 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: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1614.241403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.241403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.241403 (E_RNA) where: Base-Base interactions energy: -1101.222 where: short stacking energy: -455.230 Base-Backbone interact. energy: 0.644 local terms energy: -513.663509 where: bonds (distance) C4'-P energy: -85.958 bonds (distance) P-C4' energy: -105.081 flat angles C4'-P-C4' energy: -120.861 flat angles P-C4'-P energy: -72.802 tors. eta vs tors. theta energy: -128.961 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: 341 Temperature: 1.100000 Total energy: -1442.115502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.115502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.115502 (E_RNA) where: Base-Base interactions energy: -961.661 where: short stacking energy: -419.736 Base-Backbone interact. energy: -0.702 local terms energy: -479.753063 where: bonds (distance) C4'-P energy: -86.214 bonds (distance) P-C4' energy: -101.948 flat angles C4'-P-C4' energy: -101.520 flat angles P-C4'-P energy: -77.116 tors. eta vs tors. theta energy: -112.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1135.575796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.575796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.575796 (E_RNA) where: Base-Base interactions energy: -699.943 where: short stacking energy: -338.707 Base-Backbone interact. energy: -1.631 local terms energy: -434.002364 where: bonds (distance) C4'-P energy: -87.727 bonds (distance) P-C4' energy: -104.046 flat angles C4'-P-C4' energy: -102.955 flat angles P-C4'-P energy: -68.391 tors. eta vs tors. theta energy: -70.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1100.668385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.668385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.668385 (E_RNA) where: Base-Base interactions energy: -693.857 where: short stacking energy: -301.551 Base-Backbone interact. energy: 3.733 local terms energy: -410.544914 where: bonds (distance) C4'-P energy: -94.614 bonds (distance) P-C4' energy: -109.689 flat angles C4'-P-C4' energy: -94.890 flat angles P-C4'-P energy: -52.837 tors. eta vs tors. theta energy: -58.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -867.227500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.227500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.227500 (E_RNA) where: Base-Base interactions energy: -467.201 where: short stacking energy: -237.727 Base-Backbone interact. energy: -1.193 local terms energy: -398.833215 where: bonds (distance) C4'-P energy: -112.544 bonds (distance) P-C4' energy: -98.306 flat angles C4'-P-C4' energy: -91.050 flat angles P-C4'-P energy: -50.586 tors. eta vs tors. theta energy: -46.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -529.294816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.294816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.294816 (E_RNA) where: Base-Base interactions energy: -215.691 where: short stacking energy: -113.330 Base-Backbone interact. energy: 2.226 local terms energy: -315.829953 where: bonds (distance) C4'-P energy: -85.651 bonds (distance) P-C4' energy: -106.649 flat angles C4'-P-C4' energy: -82.553 flat angles P-C4'-P energy: -63.311 tors. eta vs tors. theta energy: 22.334 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: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -434.118060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.118060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.118060 (E_RNA) where: Base-Base interactions energy: -156.291 where: short stacking energy: -126.767 Base-Backbone interact. energy: 4.395 local terms energy: -282.221681 where: bonds (distance) C4'-P energy: -85.148 bonds (distance) P-C4' energy: -86.365 flat angles C4'-P-C4' energy: -76.683 flat angles P-C4'-P energy: -45.681 tors. eta vs tors. theta energy: 11.656 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: 1, replica: 7 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1914.267031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.267031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.267031 (E_RNA) where: Base-Base interactions energy: -1310.514 where: short stacking energy: -578.064 Base-Backbone interact. energy: -1.975 local terms energy: -601.778574 where: bonds (distance) C4'-P energy: -108.429 bonds (distance) P-C4' energy: -92.567 flat angles C4'-P-C4' energy: -137.287 flat angles P-C4'-P energy: -77.163 tors. eta vs tors. theta energy: -186.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1748.548247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.548247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.548247 (E_RNA) where: Base-Base interactions energy: -1217.861 where: short stacking energy: -505.691 Base-Backbone interact. energy: -2.744 local terms energy: -527.943724 where: bonds (distance) C4'-P energy: -104.922 bonds (distance) P-C4' energy: -95.760 flat angles C4'-P-C4' energy: -118.467 flat angles P-C4'-P energy: -71.253 tors. eta vs tors. theta energy: -137.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1691.034128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.034128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.034128 (E_RNA) where: Base-Base interactions energy: -1128.184 where: short stacking energy: -482.661 Base-Backbone interact. energy: -4.454 local terms energy: -558.396287 where: bonds (distance) C4'-P energy: -100.657 bonds (distance) P-C4' energy: -107.669 flat angles C4'-P-C4' energy: -123.796 flat angles P-C4'-P energy: -81.448 tors. eta vs tors. theta energy: -144.826 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: 342 Temperature: 1.050000 Total energy: -1538.368681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.368681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.368681 (E_RNA) where: Base-Base interactions energy: -1017.317 where: short stacking energy: -424.088 Base-Backbone interact. energy: 3.030 local terms energy: -524.081669 where: bonds (distance) C4'-P energy: -105.729 bonds (distance) P-C4' energy: -106.231 flat angles C4'-P-C4' energy: -118.469 flat angles P-C4'-P energy: -77.564 tors. eta vs tors. theta energy: -116.089 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: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1414.681816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.681816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.681816 (E_RNA) where: Base-Base interactions energy: -933.012 where: short stacking energy: -393.004 Base-Backbone interact. energy: -0.787 local terms energy: -480.882767 where: bonds (distance) C4'-P energy: -108.972 bonds (distance) P-C4' energy: -94.282 flat angles C4'-P-C4' energy: -110.773 flat angles P-C4'-P energy: -67.191 tors. eta vs tors. theta energy: -99.664 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: 8 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1128.985775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.985775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.985775 (E_RNA) where: Base-Base interactions energy: -710.609 where: short stacking energy: -320.978 Base-Backbone interact. energy: -0.680 local terms energy: -417.696022 where: bonds (distance) C4'-P energy: -94.140 bonds (distance) P-C4' energy: -94.838 flat angles C4'-P-C4' energy: -104.900 flat angles P-C4'-P energy: -61.682 tors. eta vs tors. theta energy: -62.136 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: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1039.379578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.379578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.379578 (E_RNA) where: Base-Base interactions energy: -643.377 where: short stacking energy: -286.211 Base-Backbone interact. energy: -1.659 local terms energy: -394.342795 where: bonds (distance) C4'-P energy: -98.449 bonds (distance) P-C4' energy: -92.390 flat angles C4'-P-C4' energy: -92.000 flat angles P-C4'-P energy: -51.807 tors. eta vs tors. theta energy: -59.696 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: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -853.181161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.181161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.181161 (E_RNA) where: Base-Base interactions energy: -453.764 where: short stacking energy: -226.107 Base-Backbone interact. energy: -2.377 local terms energy: -397.040086 where: bonds (distance) C4'-P energy: -113.749 bonds (distance) P-C4' energy: -99.609 flat angles C4'-P-C4' energy: -81.048 flat angles P-C4'-P energy: -60.455 tors. eta vs tors. theta energy: -42.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -472.385572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.385572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.385572 (E_RNA) where: Base-Base interactions energy: -174.622 where: short stacking energy: -150.615 Base-Backbone interact. energy: -0.795 local terms energy: -296.969098 where: bonds (distance) C4'-P energy: -83.646 bonds (distance) P-C4' energy: -96.584 flat angles C4'-P-C4' energy: -74.437 flat angles P-C4'-P energy: -45.895 tors. eta vs tors. theta energy: 3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -465.373210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.373210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.373210 (E_RNA) where: Base-Base interactions energy: -194.106 where: short stacking energy: -131.113 Base-Backbone interact. energy: 0.459 local terms energy: -271.726221 where: bonds (distance) C4'-P energy: -85.932 bonds (distance) P-C4' energy: -72.440 flat angles C4'-P-C4' energy: -84.778 flat angles P-C4'-P energy: -47.952 tors. eta vs tors. theta energy: 19.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1909.532617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.532617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.532617 (E_RNA) where: Base-Base interactions energy: -1311.129 where: short stacking energy: -553.237 Base-Backbone interact. energy: -4.407 local terms energy: -593.996745 where: bonds (distance) C4'-P energy: -113.116 bonds (distance) P-C4' energy: -108.123 flat angles C4'-P-C4' energy: -119.936 flat angles P-C4'-P energy: -84.823 tors. eta vs tors. theta energy: -167.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1772.843173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.843173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.843173 (E_RNA) where: Base-Base interactions energy: -1223.513 where: short stacking energy: -464.551 Base-Backbone interact. energy: 0.491 local terms energy: -549.821267 where: bonds (distance) C4'-P energy: -106.102 bonds (distance) P-C4' energy: -122.352 flat angles C4'-P-C4' energy: -118.748 flat angles P-C4'-P energy: -70.560 tors. eta vs tors. theta energy: -132.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1676.693636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.693636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.693636 (E_RNA) where: Base-Base interactions energy: -1114.606 where: short stacking energy: -473.946 Base-Backbone interact. energy: -2.323 local terms energy: -559.764877 where: bonds (distance) C4'-P energy: -106.762 bonds (distance) P-C4' energy: -102.999 flat angles C4'-P-C4' energy: -120.502 flat angles P-C4'-P energy: -86.804 tors. eta vs tors. theta energy: -142.697 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: 6 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1541.701355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.701355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.701355 (E_RNA) where: Base-Base interactions energy: -1036.064 where: short stacking energy: -453.238 Base-Backbone interact. energy: -0.369 local terms energy: -505.268867 where: bonds (distance) C4'-P energy: -92.251 bonds (distance) P-C4' energy: -91.405 flat angles C4'-P-C4' energy: -107.350 flat angles P-C4'-P energy: -78.446 tors. eta vs tors. theta energy: -135.817 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: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1407.671780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.671780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.671780 (E_RNA) where: Base-Base interactions energy: -949.503 where: short stacking energy: -406.490 Base-Backbone interact. energy: -2.924 local terms energy: -455.244604 where: bonds (distance) C4'-P energy: -101.609 bonds (distance) P-C4' energy: -96.358 flat angles C4'-P-C4' energy: -95.528 flat angles P-C4'-P energy: -61.381 tors. eta vs tors. theta energy: -100.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1161.630023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.630023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.630023 (E_RNA) where: Base-Base interactions energy: -725.907 where: short stacking energy: -357.097 Base-Backbone interact. energy: -0.062 local terms energy: -435.660432 where: bonds (distance) C4'-P energy: -84.214 bonds (distance) P-C4' energy: -91.211 flat angles C4'-P-C4' energy: -101.308 flat angles P-C4'-P energy: -78.180 tors. eta vs tors. theta energy: -80.749 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: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1010.693591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.693591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.693591 (E_RNA) where: Base-Base interactions energy: -623.589 where: short stacking energy: -309.600 Base-Backbone interact. energy: -1.354 local terms energy: -385.751035 where: bonds (distance) C4'-P energy: -85.511 bonds (distance) P-C4' energy: -92.068 flat angles C4'-P-C4' energy: -97.238 flat angles P-C4'-P energy: -43.164 tors. eta vs tors. theta energy: -67.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -858.872105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.872105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.872105 (E_RNA) where: Base-Base interactions energy: -505.319 where: short stacking energy: -246.723 Base-Backbone interact. energy: 0.922 local terms energy: -354.474754 where: bonds (distance) C4'-P energy: -80.613 bonds (distance) P-C4' energy: -89.089 flat angles C4'-P-C4' energy: -80.583 flat angles P-C4'-P energy: -68.317 tors. eta vs tors. theta energy: -35.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -478.891038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.891038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.891038 (E_RNA) where: Base-Base interactions energy: -192.974 where: short stacking energy: -141.334 Base-Backbone interact. energy: 2.965 local terms energy: -288.882645 where: bonds (distance) C4'-P energy: -77.759 bonds (distance) P-C4' energy: -107.843 flat angles C4'-P-C4' energy: -72.312 flat angles P-C4'-P energy: -39.531 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: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -424.028470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.028470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.028470 (E_RNA) where: Base-Base interactions energy: -159.371 where: short stacking energy: -125.136 Base-Backbone interact. energy: 6.955 local terms energy: -271.611625 where: bonds (distance) C4'-P energy: -78.391 bonds (distance) P-C4' energy: -98.826 flat angles C4'-P-C4' energy: -60.460 flat angles P-C4'-P energy: -45.962 tors. eta vs tors. theta energy: 12.026 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: 344 Temperature: 0.900000 Total energy: -1902.589486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.589486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.589486 (E_RNA) where: Base-Base interactions energy: -1297.896 where: short stacking energy: -557.965 Base-Backbone interact. energy: 0.696 local terms energy: -605.388911 where: bonds (distance) C4'-P energy: -122.014 bonds (distance) P-C4' energy: -106.116 flat angles C4'-P-C4' energy: -120.178 flat angles P-C4'-P energy: -89.621 tors. eta vs tors. theta energy: -167.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1779.180641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.180641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.180641 (E_RNA) where: Base-Base interactions energy: -1233.022 where: short stacking energy: -481.285 Base-Backbone interact. energy: 4.795 local terms energy: -550.953875 where: bonds (distance) C4'-P energy: -111.175 bonds (distance) P-C4' energy: -102.588 flat angles C4'-P-C4' energy: -124.886 flat angles P-C4'-P energy: -71.959 tors. eta vs tors. theta energy: -140.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1680.044458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.044458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.044458 (E_RNA) where: Base-Base interactions energy: -1148.751 where: short stacking energy: -482.314 Base-Backbone interact. energy: -1.482 local terms energy: -529.812151 where: bonds (distance) C4'-P energy: -102.616 bonds (distance) P-C4' energy: -114.717 flat angles C4'-P-C4' energy: -106.704 flat angles P-C4'-P energy: -69.992 tors. eta vs tors. theta energy: -135.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1516.904226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.904226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.904226 (E_RNA) where: Base-Base interactions energy: -1008.213 where: short stacking energy: -438.362 Base-Backbone interact. energy: -1.143 local terms energy: -507.548277 where: bonds (distance) C4'-P energy: -98.491 bonds (distance) P-C4' energy: -110.725 flat angles C4'-P-C4' energy: -96.647 flat angles P-C4'-P energy: -78.635 tors. eta vs tors. theta energy: -123.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1451.673807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.673807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.673807 (E_RNA) where: Base-Base interactions energy: -947.172 where: short stacking energy: -413.784 Base-Backbone interact. energy: -0.637 local terms energy: -503.864404 where: bonds (distance) C4'-P energy: -108.073 bonds (distance) P-C4' energy: -110.673 flat angles C4'-P-C4' energy: -112.174 flat angles P-C4'-P energy: -73.846 tors. eta vs tors. theta energy: -99.099 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: 8 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1134.016137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.016137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.016137 (E_RNA) where: Base-Base interactions energy: -706.568 where: short stacking energy: -323.509 Base-Backbone interact. energy: 1.484 local terms energy: -428.931950 where: bonds (distance) C4'-P energy: -83.900 bonds (distance) P-C4' energy: -107.853 flat angles C4'-P-C4' energy: -94.458 flat angles P-C4'-P energy: -65.982 tors. eta vs tors. theta energy: -76.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1010.440890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.440890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.440890 (E_RNA) where: Base-Base interactions energy: -611.479 where: short stacking energy: -300.950 Base-Backbone interact. energy: -1.148 local terms energy: -397.813860 where: bonds (distance) C4'-P energy: -94.494 bonds (distance) P-C4' energy: -95.475 flat angles C4'-P-C4' energy: -90.579 flat angles P-C4'-P energy: -53.530 tors. eta vs tors. theta energy: -63.737 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: 8, replica: 10 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -780.888152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.888152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.888152 (E_RNA) where: Base-Base interactions energy: -448.360 where: short stacking energy: -231.617 Base-Backbone interact. energy: 1.452 local terms energy: -333.980357 where: bonds (distance) C4'-P energy: -85.236 bonds (distance) P-C4' energy: -94.381 flat angles C4'-P-C4' energy: -89.311 flat angles P-C4'-P energy: -56.526 tors. eta vs tors. theta energy: -8.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -446.568514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.568514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.568514 (E_RNA) where: Base-Base interactions energy: -187.206 where: short stacking energy: -143.914 Base-Backbone interact. energy: 0.149 local terms energy: -259.511386 where: bonds (distance) C4'-P energy: -85.600 bonds (distance) P-C4' energy: -79.825 flat angles C4'-P-C4' energy: -72.050 flat angles P-C4'-P energy: -38.441 tors. eta vs tors. theta energy: 16.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -445.469255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.469255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.469255 (E_RNA) where: Base-Base interactions energy: -131.832 where: short stacking energy: -103.383 Base-Backbone interact. energy: -1.458 local terms energy: -312.178736 where: bonds (distance) C4'-P energy: -104.754 bonds (distance) P-C4' energy: -106.487 flat angles C4'-P-C4' energy: -84.352 flat angles P-C4'-P energy: -38.007 tors. eta vs tors. theta energy: 21.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1912.473384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.473384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.473384 (E_RNA) where: Base-Base interactions energy: -1316.841 where: short stacking energy: -550.776 Base-Backbone interact. energy: -2.511 local terms energy: -593.121423 where: bonds (distance) C4'-P energy: -118.453 bonds (distance) P-C4' energy: -104.937 flat angles C4'-P-C4' energy: -125.656 flat angles P-C4'-P energy: -74.688 tors. eta vs tors. theta energy: -169.387 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: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1759.696850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.696850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.696850 (E_RNA) where: Base-Base interactions energy: -1238.939 where: short stacking energy: -474.947 Base-Backbone interact. energy: 0.721 local terms energy: -521.478517 where: bonds (distance) C4'-P energy: -98.134 bonds (distance) P-C4' energy: -108.089 flat angles C4'-P-C4' energy: -113.448 flat angles P-C4'-P energy: -72.148 tors. eta vs tors. theta energy: -129.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1700.050562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.050562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.050562 (E_RNA) where: Base-Base interactions energy: -1148.074 where: short stacking energy: -472.281 Base-Backbone interact. energy: -0.863 local terms energy: -551.113130 where: bonds (distance) C4'-P energy: -102.825 bonds (distance) P-C4' energy: -105.954 flat angles C4'-P-C4' energy: -117.414 flat angles P-C4'-P energy: -78.481 tors. eta vs tors. theta energy: -146.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1502.796609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.796609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.796609 (E_RNA) where: Base-Base interactions energy: -1007.183 where: short stacking energy: -436.400 Base-Backbone interact. energy: 0.820 local terms energy: -496.433539 where: bonds (distance) C4'-P energy: -114.291 bonds (distance) P-C4' energy: -103.214 flat angles C4'-P-C4' energy: -113.735 flat angles P-C4'-P energy: -56.978 tors. eta vs tors. theta energy: -108.216 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: 345 Temperature: 1.100000 Total energy: -1442.326496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.326496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.326496 (E_RNA) where: Base-Base interactions energy: -964.614 where: short stacking energy: -403.303 Base-Backbone interact. energy: 2.962 local terms energy: -480.675229 where: bonds (distance) C4'-P energy: -104.125 bonds (distance) P-C4' energy: -112.065 flat angles C4'-P-C4' energy: -107.422 flat angles P-C4'-P energy: -51.403 tors. eta vs tors. theta energy: -105.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1138.133236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.133236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.133236 (E_RNA) where: Base-Base interactions energy: -706.440 where: short stacking energy: -313.419 Base-Backbone interact. energy: 1.649 local terms energy: -433.342324 where: bonds (distance) C4'-P energy: -96.736 bonds (distance) P-C4' energy: -97.703 flat angles C4'-P-C4' energy: -101.881 flat angles P-C4'-P energy: -61.800 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: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -994.503078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.503078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.503078 (E_RNA) where: Base-Base interactions energy: -593.124 where: short stacking energy: -263.677 Base-Backbone interact. energy: -1.836 local terms energy: -399.542656 where: bonds (distance) C4'-P energy: -102.854 bonds (distance) P-C4' energy: -104.499 flat angles C4'-P-C4' energy: -87.024 flat angles P-C4'-P energy: -70.852 tors. eta vs tors. theta energy: -34.314 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: 8, replica: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -778.644952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.644952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.644952 (E_RNA) where: Base-Base interactions energy: -429.043 where: short stacking energy: -220.229 Base-Backbone interact. energy: -2.567 local terms energy: -347.034513 where: bonds (distance) C4'-P energy: -92.674 bonds (distance) P-C4' energy: -97.476 flat angles C4'-P-C4' energy: -77.853 flat angles P-C4'-P energy: -53.995 tors. eta vs tors. theta energy: -25.037 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: 4 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -466.301072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.301072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.301072 (E_RNA) where: Base-Base interactions energy: -179.384 where: short stacking energy: -152.024 Base-Backbone interact. energy: 2.196 local terms energy: -289.112835 where: bonds (distance) C4'-P energy: -89.035 bonds (distance) P-C4' energy: -83.687 flat angles C4'-P-C4' energy: -74.514 flat angles P-C4'-P energy: -53.247 tors. eta vs tors. theta energy: 11.370 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: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -450.707715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.707715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.707715 (E_RNA) where: Base-Base interactions energy: -151.122 where: short stacking energy: -126.148 Base-Backbone interact. energy: 2.317 local terms energy: -301.902267 where: bonds (distance) C4'-P energy: -93.170 bonds (distance) P-C4' energy: -100.136 flat angles C4'-P-C4' energy: -85.685 flat angles P-C4'-P energy: -42.860 tors. eta vs tors. theta energy: 19.950 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: 1, replica: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1903.069556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.069556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.069556 (E_RNA) where: Base-Base interactions energy: -1293.742 where: short stacking energy: -558.004 Base-Backbone interact. energy: 3.632 local terms energy: -612.959579 where: bonds (distance) C4'-P energy: -111.896 bonds (distance) P-C4' energy: -113.392 flat angles C4'-P-C4' energy: -133.400 flat angles P-C4'-P energy: -81.387 tors. eta vs tors. theta energy: -172.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1772.469650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.469650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.469650 (E_RNA) where: Base-Base interactions energy: -1232.458 where: short stacking energy: -488.094 Base-Backbone interact. energy: 1.111 local terms energy: -541.122436 where: bonds (distance) C4'-P energy: -91.753 bonds (distance) P-C4' energy: -109.610 flat angles C4'-P-C4' energy: -127.841 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: -143.290 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: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1706.406567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.406567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.406567 (E_RNA) where: Base-Base interactions energy: -1167.999 where: short stacking energy: -485.676 Base-Backbone interact. energy: -1.031 local terms energy: -537.376460 where: bonds (distance) C4'-P energy: -97.421 bonds (distance) P-C4' energy: -100.653 flat angles C4'-P-C4' energy: -120.656 flat angles P-C4'-P energy: -78.645 tors. eta vs tors. theta energy: -140.001 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: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1502.395152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.395152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.395152 (E_RNA) where: Base-Base interactions energy: -995.289 where: short stacking energy: -417.331 Base-Backbone interact. energy: -2.301 local terms energy: -504.805390 where: bonds (distance) C4'-P energy: -116.505 bonds (distance) P-C4' energy: -109.234 flat angles C4'-P-C4' energy: -96.457 flat angles P-C4'-P energy: -69.240 tors. eta vs tors. theta energy: -113.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1428.732897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.732897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.732897 (E_RNA) where: Base-Base interactions energy: -959.441 where: short stacking energy: -425.613 Base-Backbone interact. energy: -1.009 local terms energy: -468.283040 where: bonds (distance) C4'-P energy: -93.706 bonds (distance) P-C4' energy: -103.683 flat angles C4'-P-C4' energy: -103.194 flat angles P-C4'-P energy: -59.285 tors. eta vs tors. theta energy: -108.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1140.896751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.896751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.896751 (E_RNA) where: Base-Base interactions energy: -727.233 where: short stacking energy: -322.611 Base-Backbone interact. energy: -2.972 local terms energy: -410.691443 where: bonds (distance) C4'-P energy: -71.315 bonds (distance) P-C4' energy: -109.426 flat angles C4'-P-C4' energy: -104.672 flat angles P-C4'-P energy: -63.938 tors. eta vs tors. theta energy: -61.341 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: 7, replica: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1052.187284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.187284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.187284 (E_RNA) where: Base-Base interactions energy: -616.189 where: short stacking energy: -282.189 Base-Backbone interact. energy: -1.484 local terms energy: -434.514854 where: bonds (distance) C4'-P energy: -107.570 bonds (distance) P-C4' energy: -90.201 flat angles C4'-P-C4' energy: -113.041 flat angles P-C4'-P energy: -59.708 tors. eta vs tors. theta energy: -63.995 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: 346 Temperature: 1.250000 Total energy: -784.212275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.212275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.212275 (E_RNA) where: Base-Base interactions energy: -430.551 where: short stacking energy: -224.023 Base-Backbone interact. energy: -1.166 local terms energy: -352.495943 where: bonds (distance) C4'-P energy: -92.637 bonds (distance) P-C4' energy: -96.848 flat angles C4'-P-C4' energy: -85.553 flat angles P-C4'-P energy: -50.226 tors. eta vs tors. theta energy: -27.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -465.322252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.322252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.322252 (E_RNA) where: Base-Base interactions energy: -148.348 where: short stacking energy: -120.662 Base-Backbone interact. energy: 1.020 local terms energy: -317.994424 where: bonds (distance) C4'-P energy: -90.165 bonds (distance) P-C4' energy: -102.305 flat angles C4'-P-C4' energy: -72.246 flat angles P-C4'-P energy: -56.441 tors. eta vs tors. theta energy: 3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -425.775264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.775264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.775264 (E_RNA) where: Base-Base interactions energy: -134.924 where: short stacking energy: -109.880 Base-Backbone interact. energy: 2.942 local terms energy: -293.792704 where: bonds (distance) C4'-P energy: -95.510 bonds (distance) P-C4' energy: -85.679 flat angles C4'-P-C4' energy: -75.514 flat angles P-C4'-P energy: -57.481 tors. eta vs tors. theta energy: 20.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1934.306718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.306718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.306718 (E_RNA) where: Base-Base interactions energy: -1313.750 where: short stacking energy: -564.903 Base-Backbone interact. energy: -0.626 local terms energy: -619.930914 where: bonds (distance) C4'-P energy: -112.548 bonds (distance) P-C4' energy: -113.994 flat angles C4'-P-C4' energy: -125.481 flat angles P-C4'-P energy: -89.632 tors. eta vs tors. theta energy: -178.276 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: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1787.928128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.928128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.928128 (E_RNA) where: Base-Base interactions energy: -1260.814 where: short stacking energy: -505.825 Base-Backbone interact. energy: -1.108 local terms energy: -526.005899 where: bonds (distance) C4'-P energy: -84.935 bonds (distance) P-C4' energy: -110.908 flat angles C4'-P-C4' energy: -121.883 flat angles P-C4'-P energy: -64.625 tors. eta vs tors. theta energy: -143.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1657.295920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.295920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.295920 (E_RNA) where: Base-Base interactions energy: -1130.700 where: short stacking energy: -478.193 Base-Backbone interact. energy: 2.139 local terms energy: -528.735325 where: bonds (distance) C4'-P energy: -99.051 bonds (distance) P-C4' energy: -108.076 flat angles C4'-P-C4' energy: -118.673 flat angles P-C4'-P energy: -73.471 tors. eta vs tors. theta energy: -129.464 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: 6 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1514.228246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.228246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.228246 (E_RNA) where: Base-Base interactions energy: -1027.998 where: short stacking energy: -416.381 Base-Backbone interact. energy: -2.151 local terms energy: -484.079490 where: bonds (distance) C4'-P energy: -101.234 bonds (distance) P-C4' energy: -94.946 flat angles C4'-P-C4' energy: -109.867 flat angles P-C4'-P energy: -71.757 tors. eta vs tors. theta energy: -106.277 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: 347 Temperature: 1.100000 Total energy: -1485.686095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.686095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.686095 (E_RNA) where: Base-Base interactions energy: -998.103 where: short stacking energy: -432.002 Base-Backbone interact. energy: 1.434 local terms energy: -489.017230 where: bonds (distance) C4'-P energy: -103.274 bonds (distance) P-C4' energy: -96.922 flat angles C4'-P-C4' energy: -116.711 flat angles P-C4'-P energy: -49.340 tors. eta vs tors. theta energy: -122.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1139.103454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.103454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.103454 (E_RNA) where: Base-Base interactions energy: -723.964 where: short stacking energy: -332.752 Base-Backbone interact. energy: -0.170 local terms energy: -414.969937 where: bonds (distance) C4'-P energy: -89.201 bonds (distance) P-C4' energy: -107.468 flat angles C4'-P-C4' energy: -100.817 flat angles P-C4'-P energy: -48.423 tors. eta vs tors. theta energy: -69.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1104.675707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.675707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.675707 (E_RNA) where: Base-Base interactions energy: -688.390 where: short stacking energy: -315.950 Base-Backbone interact. energy: -0.008 local terms energy: -416.277499 where: bonds (distance) C4'-P energy: -96.343 bonds (distance) P-C4' energy: -96.935 flat angles C4'-P-C4' energy: -84.945 flat angles P-C4'-P energy: -67.698 tors. eta vs tors. theta energy: -70.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -798.717057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.717057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.717057 (E_RNA) where: Base-Base interactions energy: -478.223 where: short stacking energy: -243.032 Base-Backbone interact. energy: -0.468 local terms energy: -320.026341 where: bonds (distance) C4'-P energy: -72.814 bonds (distance) P-C4' energy: -88.527 flat angles C4'-P-C4' energy: -81.418 flat angles P-C4'-P energy: -42.835 tors. eta vs tors. theta energy: -34.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -473.182716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.182716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.182716 (E_RNA) where: Base-Base interactions energy: -173.940 where: short stacking energy: -142.100 Base-Backbone interact. energy: 2.553 local terms energy: -301.796630 where: bonds (distance) C4'-P energy: -92.955 bonds (distance) P-C4' energy: -93.203 flat angles C4'-P-C4' energy: -74.221 flat angles P-C4'-P energy: -38.892 tors. eta vs tors. theta energy: -2.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -431.446121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.446121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.446121 (E_RNA) where: Base-Base interactions energy: -160.458 where: short stacking energy: -107.116 Base-Backbone interact. energy: 2.635 local terms energy: -273.623202 where: bonds (distance) C4'-P energy: -101.357 bonds (distance) P-C4' energy: -88.061 flat angles C4'-P-C4' energy: -76.904 flat angles P-C4'-P energy: -46.513 tors. eta vs tors. theta energy: 39.212 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: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1933.497220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.497220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.497220 (E_RNA) where: Base-Base interactions energy: -1319.012 where: short stacking energy: -539.995 Base-Backbone interact. energy: 0.695 local terms energy: -615.180895 where: bonds (distance) C4'-P energy: -116.601 bonds (distance) P-C4' energy: -119.185 flat angles C4'-P-C4' energy: -125.351 flat angles P-C4'-P energy: -77.332 tors. eta vs tors. theta energy: -176.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1825.428598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.428598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.428598 (E_RNA) where: Base-Base interactions energy: -1245.168 where: short stacking energy: -552.255 Base-Backbone interact. energy: -0.031 local terms energy: -580.229684 where: bonds (distance) C4'-P energy: -107.323 bonds (distance) P-C4' energy: -111.345 flat angles C4'-P-C4' energy: -127.164 flat angles P-C4'-P energy: -75.698 tors. eta vs tors. theta energy: -158.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1681.450348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.450348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.450348 (E_RNA) where: Base-Base interactions energy: -1110.059 where: short stacking energy: -474.033 Base-Backbone interact. energy: -4.774 local terms energy: -566.618208 where: bonds (distance) C4'-P energy: -99.335 bonds (distance) P-C4' energy: -108.323 flat angles C4'-P-C4' energy: -126.439 flat angles P-C4'-P energy: -87.618 tors. eta vs tors. theta energy: -144.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1565.762622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.762622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.762622 (E_RNA) where: Base-Base interactions energy: -1053.865 where: short stacking energy: -423.081 Base-Backbone interact. energy: -3.139 local terms energy: -508.758318 where: bonds (distance) C4'-P energy: -98.585 bonds (distance) P-C4' energy: -105.234 flat angles C4'-P-C4' energy: -110.459 flat angles P-C4'-P energy: -80.435 tors. eta vs tors. theta energy: -114.046 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: 348 Temperature: 1.100000 Total energy: -1431.779919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.779919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.779919 (E_RNA) where: Base-Base interactions energy: -935.145 where: short stacking energy: -403.655 Base-Backbone interact. energy: -1.994 local terms energy: -494.641204 where: bonds (distance) C4'-P energy: -107.382 bonds (distance) P-C4' energy: -112.056 flat angles C4'-P-C4' energy: -109.667 flat angles P-C4'-P energy: -61.070 tors. eta vs tors. theta energy: -104.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1106.341192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.341192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.341192 (E_RNA) where: Base-Base interactions energy: -689.876 where: short stacking energy: -330.644 Base-Backbone interact. energy: -2.487 local terms energy: -413.979082 where: bonds (distance) C4'-P energy: -87.685 bonds (distance) P-C4' energy: -98.217 flat angles C4'-P-C4' energy: -110.591 flat angles P-C4'-P energy: -52.436 tors. eta vs tors. theta energy: -65.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1080.178531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.178531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.178531 (E_RNA) where: Base-Base interactions energy: -660.662 where: short stacking energy: -311.135 Base-Backbone interact. energy: 0.999 local terms energy: -420.516074 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -104.047 flat angles C4'-P-C4' energy: -104.359 flat angles P-C4'-P energy: -59.085 tors. eta vs tors. theta energy: -73.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -862.844949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.844949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.844949 (E_RNA) where: Base-Base interactions energy: -499.501 where: short stacking energy: -246.619 Base-Backbone interact. energy: -1.421 local terms energy: -361.922858 where: bonds (distance) C4'-P energy: -74.684 bonds (distance) P-C4' energy: -99.638 flat angles C4'-P-C4' energy: -89.222 flat angles P-C4'-P energy: -60.510 tors. eta vs tors. theta energy: -37.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -466.845378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.845378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.845378 (E_RNA) where: Base-Base interactions energy: -177.356 where: short stacking energy: -166.171 Base-Backbone interact. energy: 5.528 local terms energy: -295.017034 where: bonds (distance) C4'-P energy: -93.280 bonds (distance) P-C4' energy: -89.797 flat angles C4'-P-C4' energy: -65.175 flat angles P-C4'-P energy: -35.566 tors. eta vs tors. theta energy: -11.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -436.411815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.411815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.411815 (E_RNA) where: Base-Base interactions energy: -156.740 where: short stacking energy: -119.697 Base-Backbone interact. energy: -1.293 local terms energy: -278.378554 where: bonds (distance) C4'-P energy: -107.063 bonds (distance) P-C4' energy: -88.573 flat angles C4'-P-C4' energy: -72.692 flat angles P-C4'-P energy: -32.728 tors. eta vs tors. theta energy: 22.678 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: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1915.613492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.613492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.613492 (E_RNA) where: Base-Base interactions energy: -1300.715 where: short stacking energy: -573.396 Base-Backbone interact. energy: -3.419 local terms energy: -611.479195 where: bonds (distance) C4'-P energy: -108.807 bonds (distance) P-C4' energy: -104.169 flat angles C4'-P-C4' energy: -132.206 flat angles P-C4'-P energy: -84.408 tors. eta vs tors. theta energy: -181.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1802.797994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.797994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.797994 (E_RNA) where: Base-Base interactions energy: -1254.088 where: short stacking energy: -514.823 Base-Backbone interact. energy: -0.861 local terms energy: -547.849557 where: bonds (distance) C4'-P energy: -95.616 bonds (distance) P-C4' energy: -109.934 flat angles C4'-P-C4' energy: -114.792 flat angles P-C4'-P energy: -73.336 tors. eta vs tors. theta energy: -154.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1665.185307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.185307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.185307 (E_RNA) where: Base-Base interactions energy: -1124.526 where: short stacking energy: -504.224 Base-Backbone interact. energy: -1.263 local terms energy: -539.396214 where: bonds (distance) C4'-P energy: -112.833 bonds (distance) P-C4' energy: -103.786 flat angles C4'-P-C4' energy: -113.463 flat angles P-C4'-P energy: -73.787 tors. eta vs tors. theta energy: -135.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1498.542602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.542602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.542602 (E_RNA) where: Base-Base interactions energy: -985.599 where: short stacking energy: -393.120 Base-Backbone interact. energy: -1.230 local terms energy: -511.713494 where: bonds (distance) C4'-P energy: -111.242 bonds (distance) P-C4' energy: -106.921 flat angles C4'-P-C4' energy: -104.324 flat angles P-C4'-P energy: -76.352 tors. eta vs tors. theta energy: -112.875 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: 349 Temperature: 1.100000 Total energy: -1394.959598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.959598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.959598 (E_RNA) where: Base-Base interactions energy: -933.189 where: short stacking energy: -397.220 Base-Backbone interact. energy: -5.176 local terms energy: -456.594287 where: bonds (distance) C4'-P energy: -90.843 bonds (distance) P-C4' energy: -102.249 flat angles C4'-P-C4' energy: -106.661 flat angles P-C4'-P energy: -63.448 tors. eta vs tors. theta energy: -93.392 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: 349 Temperature: 1.150000 Total energy: -1136.893254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.893254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.893254 (E_RNA) where: Base-Base interactions energy: -729.271 where: short stacking energy: -352.715 Base-Backbone interact. energy: -0.096 local terms energy: -407.526337 where: bonds (distance) C4'-P energy: -102.529 bonds (distance) P-C4' energy: -81.432 flat angles C4'-P-C4' energy: -83.779 flat angles P-C4'-P energy: -68.787 tors. eta vs tors. theta energy: -70.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1131.901784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.901784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.901784 (E_RNA) where: Base-Base interactions energy: -693.224 where: short stacking energy: -323.118 Base-Backbone interact. energy: 5.471 local terms energy: -444.149134 where: bonds (distance) C4'-P energy: -107.693 bonds (distance) P-C4' energy: -98.015 flat angles C4'-P-C4' energy: -103.520 flat angles P-C4'-P energy: -56.857 tors. eta vs tors. theta energy: -78.065 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: 8, replica: 10 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -839.467266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.467266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.467266 (E_RNA) where: Base-Base interactions energy: -468.964 where: short stacking energy: -234.692 Base-Backbone interact. energy: -0.988 local terms energy: -369.515467 where: bonds (distance) C4'-P energy: -99.302 bonds (distance) P-C4' energy: -103.419 flat angles C4'-P-C4' energy: -88.242 flat angles P-C4'-P energy: -43.275 tors. eta vs tors. theta energy: -35.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -490.950832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.950832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.950832 (E_RNA) where: Base-Base interactions energy: -203.695 where: short stacking energy: -136.338 Base-Backbone interact. energy: -2.334 local terms energy: -284.922144 where: bonds (distance) C4'-P energy: -90.952 bonds (distance) P-C4' energy: -95.593 flat angles C4'-P-C4' energy: -81.334 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: 27.148 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: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -418.460234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.460234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.460234 (E_RNA) where: Base-Base interactions energy: -145.046 where: short stacking energy: -118.756 Base-Backbone interact. energy: 1.795 local terms energy: -275.208830 where: bonds (distance) C4'-P energy: -99.163 bonds (distance) P-C4' energy: -94.108 flat angles C4'-P-C4' energy: -68.334 flat angles P-C4'-P energy: -37.288 tors. eta vs tors. theta energy: 23.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1911.057612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.057612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.057612 (E_RNA) where: Base-Base interactions energy: -1311.807 where: short stacking energy: -556.059 Base-Backbone interact. energy: -0.869 local terms energy: -598.381157 where: bonds (distance) C4'-P energy: -106.289 bonds (distance) P-C4' energy: -98.743 flat angles C4'-P-C4' energy: -130.907 flat angles P-C4'-P energy: -93.358 tors. eta vs tors. theta energy: -169.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1758.333671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.333671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.333671 (E_RNA) where: Base-Base interactions energy: -1208.161 where: short stacking energy: -482.471 Base-Backbone interact. energy: 2.560 local terms energy: -552.732982 where: bonds (distance) C4'-P energy: -112.299 bonds (distance) P-C4' energy: -102.655 flat angles C4'-P-C4' energy: -116.382 flat angles P-C4'-P energy: -85.604 tors. eta vs tors. theta energy: -135.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1707.147107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.147107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.147107 (E_RNA) where: Base-Base interactions energy: -1163.131 where: short stacking energy: -505.950 Base-Backbone interact. energy: -1.661 local terms energy: -542.355600 where: bonds (distance) C4'-P energy: -107.973 bonds (distance) P-C4' energy: -105.110 flat angles C4'-P-C4' energy: -114.761 flat angles P-C4'-P energy: -66.249 tors. eta vs tors. theta energy: -148.263 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: 350 Temperature: 1.050000 Total energy: -1514.563261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.563261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.563261 (E_RNA) where: Base-Base interactions energy: -1022.459 where: short stacking energy: -431.946 Base-Backbone interact. energy: -5.017 local terms energy: -487.087994 where: bonds (distance) C4'-P energy: -103.071 bonds (distance) P-C4' energy: -96.932 flat angles C4'-P-C4' energy: -110.220 flat angles P-C4'-P energy: -71.304 tors. eta vs tors. theta energy: -105.561 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: 350 Temperature: 1.100000 Total energy: -1427.317567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.317567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.317567 (E_RNA) where: Base-Base interactions energy: -934.162 where: short stacking energy: -395.182 Base-Backbone interact. energy: -1.960 local terms energy: -491.195721 where: bonds (distance) C4'-P energy: -88.748 bonds (distance) P-C4' energy: -107.706 flat angles C4'-P-C4' energy: -116.227 flat angles P-C4'-P energy: -73.007 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: 6, replica: 5 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1140.049131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.049131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.049131 (E_RNA) where: Base-Base interactions energy: -704.315 where: short stacking energy: -322.688 Base-Backbone interact. energy: 0.318 local terms energy: -436.051572 where: bonds (distance) C4'-P energy: -85.905 bonds (distance) P-C4' energy: -85.102 flat angles C4'-P-C4' energy: -105.476 flat angles P-C4'-P energy: -77.212 tors. eta vs tors. theta energy: -82.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1153.501917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.501917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.501917 (E_RNA) where: Base-Base interactions energy: -730.393 where: short stacking energy: -332.297 Base-Backbone interact. energy: -2.158 local terms energy: -420.950444 where: bonds (distance) C4'-P energy: -106.879 bonds (distance) P-C4' energy: -89.097 flat angles C4'-P-C4' energy: -87.928 flat angles P-C4'-P energy: -39.194 tors. eta vs tors. theta energy: -97.852 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: 8, replica: 10 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -817.777263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.777263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.777263 (E_RNA) where: Base-Base interactions energy: -447.679 where: short stacking energy: -224.756 Base-Backbone interact. energy: 0.184 local terms energy: -370.282783 where: bonds (distance) C4'-P energy: -105.004 bonds (distance) P-C4' energy: -96.823 flat angles C4'-P-C4' energy: -78.593 flat angles P-C4'-P energy: -64.206 tors. eta vs tors. theta energy: -25.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -468.250373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.250373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.250373 (E_RNA) where: Base-Base interactions energy: -168.525 where: short stacking energy: -130.136 Base-Backbone interact. energy: 0.793 local terms energy: -300.518523 where: bonds (distance) C4'-P energy: -86.696 bonds (distance) P-C4' energy: -95.261 flat angles C4'-P-C4' energy: -80.128 flat angles P-C4'-P energy: -40.760 tors. eta vs tors. theta energy: 2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -411.126846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.126846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.126846 (E_RNA) where: Base-Base interactions energy: -142.588 where: short stacking energy: -115.939 Base-Backbone interact. energy: 0.141 local terms energy: -268.680298 where: bonds (distance) C4'-P energy: -96.291 bonds (distance) P-C4' energy: -80.702 flat angles C4'-P-C4' energy: -80.505 flat angles P-C4'-P energy: -39.025 tors. eta vs tors. theta energy: 27.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1896.537354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.537354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.537354 (E_RNA) where: Base-Base interactions energy: -1309.212 where: short stacking energy: -562.048 Base-Backbone interact. energy: -1.374 local terms energy: -585.951084 where: bonds (distance) C4'-P energy: -112.503 bonds (distance) P-C4' energy: -108.583 flat angles C4'-P-C4' energy: -124.610 flat angles P-C4'-P energy: -77.024 tors. eta vs tors. theta energy: -163.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1775.056077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.056077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.056077 (E_RNA) where: Base-Base interactions energy: -1191.637 where: short stacking energy: -505.445 Base-Backbone interact. energy: 1.036 local terms energy: -584.454802 where: bonds (distance) C4'-P energy: -122.961 bonds (distance) P-C4' energy: -111.434 flat angles C4'-P-C4' energy: -123.526 flat angles P-C4'-P energy: -78.737 tors. eta vs tors. theta energy: -147.797 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: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1688.221796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.221796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.221796 (E_RNA) where: Base-Base interactions energy: -1141.641 where: short stacking energy: -487.080 Base-Backbone interact. energy: -4.510 local terms energy: -542.071536 where: bonds (distance) C4'-P energy: -101.716 bonds (distance) P-C4' energy: -99.396 flat angles C4'-P-C4' energy: -115.926 flat angles P-C4'-P energy: -76.041 tors. eta vs tors. theta energy: -148.993 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: 6 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1506.777661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.777661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.777661 (E_RNA) where: Base-Base interactions energy: -1006.474 where: short stacking energy: -424.661 Base-Backbone interact. energy: -2.235 local terms energy: -498.068447 where: bonds (distance) C4'-P energy: -86.426 bonds (distance) P-C4' energy: -111.421 flat angles C4'-P-C4' energy: -109.391 flat angles P-C4'-P energy: -83.918 tors. eta vs tors. theta energy: -106.913 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: 351 Temperature: 1.100000 Total energy: -1394.940787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.940787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.940787 (E_RNA) where: Base-Base interactions energy: -926.867 where: short stacking energy: -402.650 Base-Backbone interact. energy: -0.527 local terms energy: -467.546626 where: bonds (distance) C4'-P energy: -95.334 bonds (distance) P-C4' energy: -95.109 flat angles C4'-P-C4' energy: -109.378 flat angles P-C4'-P energy: -71.023 tors. eta vs tors. theta energy: -96.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1243.288080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.288080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.288080 (E_RNA) where: Base-Base interactions energy: -807.952 where: short stacking energy: -376.111 Base-Backbone interact. energy: -1.296 local terms energy: -434.039855 where: bonds (distance) C4'-P energy: -76.583 bonds (distance) P-C4' energy: -101.918 flat angles C4'-P-C4' energy: -113.016 flat angles P-C4'-P energy: -43.000 tors. eta vs tors. theta energy: -99.524 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: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1107.193482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.193482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.193482 (E_RNA) where: Base-Base interactions energy: -680.284 where: short stacking energy: -300.949 Base-Backbone interact. energy: 1.402 local terms energy: -428.311518 where: bonds (distance) C4'-P energy: -107.519 bonds (distance) P-C4' energy: -105.216 flat angles C4'-P-C4' energy: -93.284 flat angles P-C4'-P energy: -61.930 tors. eta vs tors. theta energy: -60.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -870.275121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.275121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.275121 (E_RNA) where: Base-Base interactions energy: -508.848 where: short stacking energy: -238.008 Base-Backbone interact. energy: 4.705 local terms energy: -366.132817 where: bonds (distance) C4'-P energy: -85.131 bonds (distance) P-C4' energy: -105.261 flat angles C4'-P-C4' energy: -91.977 flat angles P-C4'-P energy: -53.381 tors. eta vs tors. theta energy: -30.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -481.331662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.331662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.331662 (E_RNA) where: Base-Base interactions energy: -162.693 where: short stacking energy: -143.939 Base-Backbone interact. energy: -0.018 local terms energy: -318.620612 where: bonds (distance) C4'-P energy: -93.557 bonds (distance) P-C4' energy: -108.899 flat angles C4'-P-C4' energy: -87.808 flat angles P-C4'-P energy: -40.167 tors. eta vs tors. theta energy: 11.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -454.401563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.401563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.401563 (E_RNA) where: Base-Base interactions energy: -178.094 where: short stacking energy: -151.423 Base-Backbone interact. energy: 5.637 local terms energy: -281.944254 where: bonds (distance) C4'-P energy: -77.414 bonds (distance) P-C4' energy: -95.135 flat angles C4'-P-C4' energy: -78.500 flat angles P-C4'-P energy: -30.848 tors. eta vs tors. theta energy: -0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1884.723181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.723181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.723181 (E_RNA) where: Base-Base interactions energy: -1284.577 where: short stacking energy: -536.085 Base-Backbone interact. energy: -2.517 local terms energy: -597.628786 where: bonds (distance) C4'-P energy: -99.372 bonds (distance) P-C4' energy: -120.423 flat angles C4'-P-C4' energy: -124.714 flat angles P-C4'-P energy: -94.798 tors. eta vs tors. theta energy: -158.322 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: 3 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1804.538636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.538636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.538636 (E_RNA) where: Base-Base interactions energy: -1240.803 where: short stacking energy: -535.340 Base-Backbone interact. energy: -0.839 local terms energy: -562.896595 where: bonds (distance) C4'-P energy: -108.027 bonds (distance) P-C4' energy: -111.725 flat angles C4'-P-C4' energy: -113.799 flat angles P-C4'-P energy: -77.065 tors. eta vs tors. theta energy: -152.281 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: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1676.749385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.749385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.749385 (E_RNA) where: Base-Base interactions energy: -1117.460 where: short stacking energy: -479.314 Base-Backbone interact. energy: -4.377 local terms energy: -554.912528 where: bonds (distance) C4'-P energy: -119.107 bonds (distance) P-C4' energy: -88.356 flat angles C4'-P-C4' energy: -134.416 flat angles P-C4'-P energy: -77.732 tors. eta vs tors. theta energy: -135.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1558.407533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.407533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.407533 (E_RNA) where: Base-Base interactions energy: -1031.151 where: short stacking energy: -426.661 Base-Backbone interact. energy: -3.588 local terms energy: -523.668568 where: bonds (distance) C4'-P energy: -101.938 bonds (distance) P-C4' energy: -100.679 flat angles C4'-P-C4' energy: -112.463 flat angles P-C4'-P energy: -87.322 tors. eta vs tors. theta energy: -121.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1405.883092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.883092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.883092 (E_RNA) where: Base-Base interactions energy: -932.387 where: short stacking energy: -398.035 Base-Backbone interact. energy: 8.290 local terms energy: -481.786454 where: bonds (distance) C4'-P energy: -103.138 bonds (distance) P-C4' energy: -87.901 flat angles C4'-P-C4' energy: -123.568 flat angles P-C4'-P energy: -60.877 tors. eta vs tors. theta energy: -106.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1264.346323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.346323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.346323 (E_RNA) where: Base-Base interactions energy: -784.118 where: short stacking energy: -361.305 Base-Backbone interact. energy: -1.495 local terms energy: -478.732920 where: bonds (distance) C4'-P energy: -96.725 bonds (distance) P-C4' energy: -98.880 flat angles C4'-P-C4' energy: -101.117 flat angles P-C4'-P energy: -76.205 tors. eta vs tors. theta energy: -105.806 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: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1098.291793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.291793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.291793 (E_RNA) where: Base-Base interactions energy: -700.559 where: short stacking energy: -324.242 Base-Backbone interact. energy: -1.145 local terms energy: -396.588541 where: bonds (distance) C4'-P energy: -87.468 bonds (distance) P-C4' energy: -93.577 flat angles C4'-P-C4' energy: -108.742 flat angles P-C4'-P energy: -57.003 tors. eta vs tors. theta energy: -49.799 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: 10 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -842.212500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.212500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.212500 (E_RNA) where: Base-Base interactions energy: -468.046 where: short stacking energy: -226.401 Base-Backbone interact. energy: -0.036 local terms energy: -374.130866 where: bonds (distance) C4'-P energy: -99.412 bonds (distance) P-C4' energy: -87.523 flat angles C4'-P-C4' energy: -102.285 flat angles P-C4'-P energy: -57.551 tors. eta vs tors. theta energy: -27.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -475.077273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.077273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.077273 (E_RNA) where: Base-Base interactions energy: -196.087 where: short stacking energy: -133.673 Base-Backbone interact. energy: 0.663 local terms energy: -279.653165 where: bonds (distance) C4'-P energy: -82.074 bonds (distance) P-C4' energy: -93.300 flat angles C4'-P-C4' energy: -71.041 flat angles P-C4'-P energy: -53.672 tors. eta vs tors. theta energy: 20.434 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: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -433.727496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.727496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.727496 (E_RNA) where: Base-Base interactions energy: -154.100 where: short stacking energy: -147.792 Base-Backbone interact. energy: 0.026 local terms energy: -279.653323 where: bonds (distance) C4'-P energy: -81.011 bonds (distance) P-C4' energy: -86.898 flat angles C4'-P-C4' energy: -74.877 flat angles P-C4'-P energy: -41.230 tors. eta vs tors. theta energy: 4.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1877.266956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.266956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.266956 (E_RNA) where: Base-Base interactions energy: -1285.788 where: short stacking energy: -542.426 Base-Backbone interact. energy: -0.649 local terms energy: -590.829809 where: bonds (distance) C4'-P energy: -105.385 bonds (distance) P-C4' energy: -110.000 flat angles C4'-P-C4' energy: -123.570 flat angles P-C4'-P energy: -83.672 tors. eta vs tors. theta energy: -168.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1802.091390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.091390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.091390 (E_RNA) where: Base-Base interactions energy: -1252.638 where: short stacking energy: -513.722 Base-Backbone interact. energy: -1.933 local terms energy: -547.520387 where: bonds (distance) C4'-P energy: -112.665 bonds (distance) P-C4' energy: -104.953 flat angles C4'-P-C4' energy: -110.728 flat angles P-C4'-P energy: -77.793 tors. eta vs tors. theta energy: -141.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1666.613085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.613085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.613085 (E_RNA) where: Base-Base interactions energy: -1115.839 where: short stacking energy: -470.559 Base-Backbone interact. energy: -2.102 local terms energy: -548.672961 where: bonds (distance) C4'-P energy: -101.252 bonds (distance) P-C4' energy: -110.727 flat angles C4'-P-C4' energy: -116.090 flat angles P-C4'-P energy: -77.649 tors. eta vs tors. theta energy: -142.955 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: 353 Temperature: 1.050000 Total energy: -1566.241307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.241307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.241307 (E_RNA) where: Base-Base interactions energy: -1063.230 where: short stacking energy: -434.473 Base-Backbone interact. energy: -0.719 local terms energy: -502.291973 where: bonds (distance) C4'-P energy: -102.911 bonds (distance) P-C4' energy: -99.225 flat angles C4'-P-C4' energy: -110.436 flat angles P-C4'-P energy: -70.226 tors. eta vs tors. theta energy: -119.495 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: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1416.101947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.101947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.101947 (E_RNA) where: Base-Base interactions energy: -942.735 where: short stacking energy: -420.211 Base-Backbone interact. energy: -2.275 local terms energy: -471.091901 where: bonds (distance) C4'-P energy: -91.847 bonds (distance) P-C4' energy: -108.985 flat angles C4'-P-C4' energy: -101.763 flat angles P-C4'-P energy: -64.977 tors. eta vs tors. theta energy: -103.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1316.043084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.043084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.043084 (E_RNA) where: Base-Base interactions energy: -848.015 where: short stacking energy: -382.526 Base-Backbone interact. energy: -1.411 local terms energy: -466.617748 where: bonds (distance) C4'-P energy: -106.728 bonds (distance) P-C4' energy: -105.649 flat angles C4'-P-C4' energy: -83.989 flat angles P-C4'-P energy: -70.698 tors. eta vs tors. theta energy: -99.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1086.714329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.714329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.714329 (E_RNA) where: Base-Base interactions energy: -658.745 where: short stacking energy: -316.213 Base-Backbone interact. energy: 0.417 local terms energy: -428.385720 where: bonds (distance) C4'-P energy: -97.839 bonds (distance) P-C4' energy: -91.514 flat angles C4'-P-C4' energy: -92.164 flat angles P-C4'-P energy: -64.136 tors. eta vs tors. theta energy: -82.733 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: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -838.952786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.952786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.952786 (E_RNA) where: Base-Base interactions energy: -491.276 where: short stacking energy: -237.862 Base-Backbone interact. energy: 2.878 local terms energy: -350.554722 where: bonds (distance) C4'-P energy: -93.012 bonds (distance) P-C4' energy: -83.749 flat angles C4'-P-C4' energy: -89.215 flat angles P-C4'-P energy: -53.656 tors. eta vs tors. theta energy: -30.924 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: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -475.129340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.129340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.129340 (E_RNA) where: Base-Base interactions energy: -170.364 where: short stacking energy: -133.306 Base-Backbone interact. energy: -2.278 local terms energy: -302.487743 where: bonds (distance) C4'-P energy: -90.569 bonds (distance) P-C4' energy: -120.548 flat angles C4'-P-C4' energy: -63.395 flat angles P-C4'-P energy: -43.872 tors. eta vs tors. theta energy: 15.896 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: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -423.907291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.907291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.907291 (E_RNA) where: Base-Base interactions energy: -165.937 where: short stacking energy: -120.431 Base-Backbone interact. energy: -2.287 local terms energy: -255.682437 where: bonds (distance) C4'-P energy: -80.897 bonds (distance) P-C4' energy: -84.294 flat angles C4'-P-C4' energy: -68.639 flat angles P-C4'-P energy: -45.128 tors. eta vs tors. theta energy: 23.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1897.172967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.172967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.172967 (E_RNA) where: Base-Base interactions energy: -1302.014 where: short stacking energy: -572.201 Base-Backbone interact. energy: -2.409 local terms energy: -592.749751 where: bonds (distance) C4'-P energy: -110.417 bonds (distance) P-C4' energy: -101.590 flat angles C4'-P-C4' energy: -127.789 flat angles P-C4'-P energy: -87.003 tors. eta vs tors. theta energy: -165.951 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: 2, replica: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1796.177012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.177012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.177012 (E_RNA) where: Base-Base interactions energy: -1248.565 where: short stacking energy: -535.065 Base-Backbone interact. energy: -2.413 local terms energy: -545.198789 where: bonds (distance) C4'-P energy: -109.231 bonds (distance) P-C4' energy: -99.595 flat angles C4'-P-C4' energy: -121.373 flat angles P-C4'-P energy: -69.818 tors. eta vs tors. theta energy: -145.182 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: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1719.162226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.162226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.162226 (E_RNA) where: Base-Base interactions energy: -1173.279 where: short stacking energy: -498.137 Base-Backbone interact. energy: -3.401 local terms energy: -542.482772 where: bonds (distance) C4'-P energy: -98.539 bonds (distance) P-C4' energy: -110.609 flat angles C4'-P-C4' energy: -125.696 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: -138.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1512.282619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.282619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.282619 (E_RNA) where: Base-Base interactions energy: -1015.192 where: short stacking energy: -444.418 Base-Backbone interact. energy: -2.724 local terms energy: -494.366009 where: bonds (distance) C4'-P energy: -93.552 bonds (distance) P-C4' energy: -110.590 flat angles C4'-P-C4' energy: -104.957 flat angles P-C4'-P energy: -71.802 tors. eta vs tors. theta energy: -113.464 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: 354 Temperature: 1.100000 Total energy: -1404.284866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.284866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.284866 (E_RNA) where: Base-Base interactions energy: -933.223 where: short stacking energy: -388.801 Base-Backbone interact. energy: -1.708 local terms energy: -469.353388 where: bonds (distance) C4'-P energy: -94.051 bonds (distance) P-C4' energy: -93.666 flat angles C4'-P-C4' energy: -107.953 flat angles P-C4'-P energy: -72.878 tors. eta vs tors. theta energy: -100.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1306.231659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.231659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.231659 (E_RNA) where: Base-Base interactions energy: -862.128 where: short stacking energy: -363.268 Base-Backbone interact. energy: 2.786 local terms energy: -446.889733 where: bonds (distance) C4'-P energy: -89.127 bonds (distance) P-C4' energy: -93.960 flat angles C4'-P-C4' energy: -107.618 flat angles P-C4'-P energy: -56.971 tors. eta vs tors. theta energy: -99.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1071.188822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.188822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.188822 (E_RNA) where: Base-Base interactions energy: -654.650 where: short stacking energy: -325.526 Base-Backbone interact. energy: -2.185 local terms energy: -414.353877 where: bonds (distance) C4'-P energy: -98.959 bonds (distance) P-C4' energy: -110.347 flat angles C4'-P-C4' energy: -79.433 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: -76.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -787.910831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.910831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.910831 (E_RNA) where: Base-Base interactions energy: -438.873 where: short stacking energy: -222.993 Base-Backbone interact. energy: -2.523 local terms energy: -346.513930 where: bonds (distance) C4'-P energy: -87.661 bonds (distance) P-C4' energy: -85.368 flat angles C4'-P-C4' energy: -97.365 flat angles P-C4'-P energy: -50.781 tors. eta vs tors. theta energy: -25.339 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: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -472.898745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.898745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.898745 (E_RNA) where: Base-Base interactions energy: -167.728 where: short stacking energy: -157.423 Base-Backbone interact. energy: -3.410 local terms energy: -301.760608 where: bonds (distance) C4'-P energy: -84.496 bonds (distance) P-C4' energy: -96.066 flat angles C4'-P-C4' energy: -78.094 flat angles P-C4'-P energy: -34.320 tors. eta vs tors. theta energy: -8.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -437.605102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.605102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.605102 (E_RNA) where: Base-Base interactions energy: -145.837 where: short stacking energy: -107.196 Base-Backbone interact. energy: 0.554 local terms energy: -292.321506 where: bonds (distance) C4'-P energy: -94.271 bonds (distance) P-C4' energy: -98.686 flat angles C4'-P-C4' energy: -82.721 flat angles P-C4'-P energy: -36.348 tors. eta vs tors. theta energy: 19.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1917.339955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.339955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.339955 (E_RNA) where: Base-Base interactions energy: -1306.560 where: short stacking energy: -541.456 Base-Backbone interact. energy: 0.091 local terms energy: -610.870473 where: bonds (distance) C4'-P energy: -114.478 bonds (distance) P-C4' energy: -106.713 flat angles C4'-P-C4' energy: -126.652 flat angles P-C4'-P energy: -88.465 tors. eta vs tors. theta energy: -174.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1792.613930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.613930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.613930 (E_RNA) where: Base-Base interactions energy: -1207.905 where: short stacking energy: -510.851 Base-Backbone interact. energy: -2.158 local terms energy: -582.550650 where: bonds (distance) C4'-P energy: -106.702 bonds (distance) P-C4' energy: -113.134 flat angles C4'-P-C4' energy: -118.668 flat angles P-C4'-P energy: -82.856 tors. eta vs tors. theta energy: -161.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1705.862424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.862424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.862424 (E_RNA) where: Base-Base interactions energy: -1161.338 where: short stacking energy: -488.365 Base-Backbone interact. energy: -3.569 local terms energy: -540.955518 where: bonds (distance) C4'-P energy: -101.790 bonds (distance) P-C4' energy: -114.907 flat angles C4'-P-C4' energy: -114.867 flat angles P-C4'-P energy: -65.534 tors. eta vs tors. theta energy: -143.857 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: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1494.967328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.967328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.967328 (E_RNA) where: Base-Base interactions energy: -998.546 where: short stacking energy: -420.566 Base-Backbone interact. energy: -2.022 local terms energy: -494.399860 where: bonds (distance) C4'-P energy: -103.625 bonds (distance) P-C4' energy: -106.387 flat angles C4'-P-C4' energy: -104.940 flat angles P-C4'-P energy: -61.773 tors. eta vs tors. theta energy: -117.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1443.187195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.187195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.187195 (E_RNA) where: Base-Base interactions energy: -958.584 where: short stacking energy: -428.366 Base-Backbone interact. energy: -1.513 local terms energy: -483.090687 where: bonds (distance) C4'-P energy: -96.066 bonds (distance) P-C4' energy: -99.866 flat angles C4'-P-C4' energy: -100.044 flat angles P-C4'-P energy: -75.256 tors. eta vs tors. theta energy: -111.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1335.300756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.300756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.300756 (E_RNA) where: Base-Base interactions energy: -880.693 where: short stacking energy: -400.269 Base-Backbone interact. energy: -3.417 local terms energy: -451.190608 where: bonds (distance) C4'-P energy: -103.321 bonds (distance) P-C4' energy: -88.632 flat angles C4'-P-C4' energy: -95.647 flat angles P-C4'-P energy: -56.031 tors. eta vs tors. theta energy: -107.560 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: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1024.137497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.137497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.137497 (E_RNA) where: Base-Base interactions energy: -622.369 where: short stacking energy: -287.291 Base-Backbone interact. energy: -3.814 local terms energy: -397.954781 where: bonds (distance) C4'-P energy: -94.146 bonds (distance) P-C4' energy: -102.664 flat angles C4'-P-C4' energy: -95.712 flat angles P-C4'-P energy: -59.500 tors. eta vs tors. theta energy: -45.934 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: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -783.973855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.973855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.973855 (E_RNA) where: Base-Base interactions energy: -419.739 where: short stacking energy: -224.269 Base-Backbone interact. energy: -0.754 local terms energy: -363.480693 where: bonds (distance) C4'-P energy: -83.069 bonds (distance) P-C4' energy: -80.677 flat angles C4'-P-C4' energy: -88.428 flat angles P-C4'-P energy: -73.946 tors. eta vs tors. theta energy: -37.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -463.162559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.162559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.162559 (E_RNA) where: Base-Base interactions energy: -153.735 where: short stacking energy: -127.604 Base-Backbone interact. energy: 0.683 local terms energy: -310.110754 where: bonds (distance) C4'-P energy: -88.706 bonds (distance) P-C4' energy: -82.366 flat angles C4'-P-C4' energy: -88.815 flat angles P-C4'-P energy: -63.690 tors. eta vs tors. theta energy: 13.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -427.918110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.918110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.918110 (E_RNA) where: Base-Base interactions energy: -128.016 where: short stacking energy: -94.322 Base-Backbone interact. energy: 2.163 local terms energy: -302.064998 where: bonds (distance) C4'-P energy: -96.176 bonds (distance) P-C4' energy: -96.142 flat angles C4'-P-C4' energy: -78.080 flat angles P-C4'-P energy: -48.817 tors. eta vs tors. theta energy: 17.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1914.297737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.297737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.297737 (E_RNA) where: Base-Base interactions energy: -1314.289 where: short stacking energy: -563.937 Base-Backbone interact. energy: -2.041 local terms energy: -597.967174 where: bonds (distance) C4'-P energy: -96.676 bonds (distance) P-C4' energy: -117.529 flat angles C4'-P-C4' energy: -125.107 flat angles P-C4'-P energy: -89.018 tors. eta vs tors. theta energy: -169.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1803.846163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.846163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.846163 (E_RNA) where: Base-Base interactions energy: -1228.556 where: short stacking energy: -533.232 Base-Backbone interact. energy: 0.602 local terms energy: -575.892792 where: bonds (distance) C4'-P energy: -117.293 bonds (distance) P-C4' energy: -104.857 flat angles C4'-P-C4' energy: -118.997 flat angles P-C4'-P energy: -80.039 tors. eta vs tors. theta energy: -154.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1694.533496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.533496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.533496 (E_RNA) where: Base-Base interactions energy: -1125.608 where: short stacking energy: -454.714 Base-Backbone interact. energy: -0.234 local terms energy: -568.691672 where: bonds (distance) C4'-P energy: -104.679 bonds (distance) P-C4' energy: -120.755 flat angles C4'-P-C4' energy: -116.708 flat angles P-C4'-P energy: -78.983 tors. eta vs tors. theta energy: -147.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1561.737025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.737025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.737025 (E_RNA) where: Base-Base interactions energy: -1020.116 where: short stacking energy: -442.963 Base-Backbone interact. energy: -4.658 local terms energy: -536.962305 where: bonds (distance) C4'-P energy: -105.807 bonds (distance) P-C4' energy: -118.271 flat angles C4'-P-C4' energy: -120.220 flat angles P-C4'-P energy: -61.036 tors. eta vs tors. theta energy: -131.629 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: 8 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1394.894899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.894899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.894899 (E_RNA) where: Base-Base interactions energy: -887.595 where: short stacking energy: -402.128 Base-Backbone interact. energy: -1.051 local terms energy: -506.249182 where: bonds (distance) C4'-P energy: -105.713 bonds (distance) P-C4' energy: -111.906 flat angles C4'-P-C4' energy: -109.825 flat angles P-C4'-P energy: -69.923 tors. eta vs tors. theta energy: -108.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1328.774265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.774265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.774265 (E_RNA) where: Base-Base interactions energy: -866.557 where: short stacking energy: -385.923 Base-Backbone interact. energy: 3.548 local terms energy: -465.765255 where: bonds (distance) C4'-P energy: -89.709 bonds (distance) P-C4' energy: -99.878 flat angles C4'-P-C4' energy: -100.989 flat angles P-C4'-P energy: -70.844 tors. eta vs tors. theta energy: -104.345 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: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1047.338148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.338148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.338148 (E_RNA) where: Base-Base interactions energy: -634.369 where: short stacking energy: -304.545 Base-Backbone interact. energy: -2.895 local terms energy: -410.073997 where: bonds (distance) C4'-P energy: -84.084 bonds (distance) P-C4' energy: -96.438 flat angles C4'-P-C4' energy: -102.219 flat angles P-C4'-P energy: -57.143 tors. eta vs tors. theta energy: -70.191 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: 10 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -782.439442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.439442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.439442 (E_RNA) where: Base-Base interactions energy: -441.297 where: short stacking energy: -227.363 Base-Backbone interact. energy: 1.147 local terms energy: -342.289619 where: bonds (distance) C4'-P energy: -89.478 bonds (distance) P-C4' energy: -90.731 flat angles C4'-P-C4' energy: -86.419 flat angles P-C4'-P energy: -53.993 tors. eta vs tors. theta energy: -21.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -470.107049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.107049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.107049 (E_RNA) where: Base-Base interactions energy: -190.230 where: short stacking energy: -129.205 Base-Backbone interact. energy: 0.136 local terms energy: -280.012518 where: bonds (distance) C4'-P energy: -89.325 bonds (distance) P-C4' energy: -90.643 flat angles C4'-P-C4' energy: -66.753 flat angles P-C4'-P energy: -50.961 tors. eta vs tors. theta energy: 17.669 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: 356 Temperature: 1.350000 Total energy: -432.126474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.126474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.126474 (E_RNA) where: Base-Base interactions energy: -159.393 where: short stacking energy: -121.719 Base-Backbone interact. energy: -1.841 local terms energy: -270.892661 where: bonds (distance) C4'-P energy: -83.127 bonds (distance) P-C4' energy: -88.450 flat angles C4'-P-C4' energy: -81.257 flat angles P-C4'-P energy: -43.011 tors. eta vs tors. theta energy: 24.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1912.793169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.793169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.793169 (E_RNA) where: Base-Base interactions energy: -1318.282 where: short stacking energy: -565.233 Base-Backbone interact. energy: -2.198 local terms energy: -592.312965 where: bonds (distance) C4'-P energy: -102.440 bonds (distance) P-C4' energy: -108.963 flat angles C4'-P-C4' energy: -131.219 flat angles P-C4'-P energy: -74.441 tors. eta vs tors. theta energy: -175.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1786.047862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.047862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.047862 (E_RNA) where: Base-Base interactions energy: -1231.743 where: short stacking energy: -519.312 Base-Backbone interact. energy: -2.739 local terms energy: -551.565796 where: bonds (distance) C4'-P energy: -113.142 bonds (distance) P-C4' energy: -100.395 flat angles C4'-P-C4' energy: -124.692 flat angles P-C4'-P energy: -58.332 tors. eta vs tors. theta energy: -155.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1693.344939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.344939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.344939 (E_RNA) where: Base-Base interactions energy: -1165.126 where: short stacking energy: -506.181 Base-Backbone interact. energy: -4.392 local terms energy: -523.827385 where: bonds (distance) C4'-P energy: -101.737 bonds (distance) P-C4' energy: -90.131 flat angles C4'-P-C4' energy: -123.137 flat angles P-C4'-P energy: -60.747 tors. eta vs tors. theta energy: -148.076 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: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1547.558197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.558197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.558197 (E_RNA) where: Base-Base interactions energy: -1032.575 where: short stacking energy: -452.938 Base-Backbone interact. energy: 0.382 local terms energy: -515.366048 where: bonds (distance) C4'-P energy: -101.197 bonds (distance) P-C4' energy: -108.185 flat angles C4'-P-C4' energy: -102.797 flat angles P-C4'-P energy: -73.479 tors. eta vs tors. theta energy: -129.708 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: 8 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1391.387339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.387339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.387339 (E_RNA) where: Base-Base interactions energy: -897.793 where: short stacking energy: -403.634 Base-Backbone interact. energy: -0.934 local terms energy: -492.661115 where: bonds (distance) C4'-P energy: -111.667 bonds (distance) P-C4' energy: -94.300 flat angles C4'-P-C4' energy: -104.252 flat angles P-C4'-P energy: -68.359 tors. eta vs tors. theta energy: -114.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1319.665071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.665071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.665071 (E_RNA) where: Base-Base interactions energy: -863.887 where: short stacking energy: -336.489 Base-Backbone interact. energy: -0.001 local terms energy: -455.777186 where: bonds (distance) C4'-P energy: -86.522 bonds (distance) P-C4' energy: -99.497 flat angles C4'-P-C4' energy: -109.668 flat angles P-C4'-P energy: -73.823 tors. eta vs tors. theta energy: -86.267 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: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1092.932495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.932495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.932495 (E_RNA) where: Base-Base interactions energy: -674.974 where: short stacking energy: -312.234 Base-Backbone interact. energy: -1.431 local terms energy: -416.527417 where: bonds (distance) C4'-P energy: -106.019 bonds (distance) P-C4' energy: -109.574 flat angles C4'-P-C4' energy: -90.130 flat angles P-C4'-P energy: -40.411 tors. eta vs tors. theta energy: -70.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -806.339704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.339704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.339704 (E_RNA) where: Base-Base interactions energy: -430.627 where: short stacking energy: -202.980 Base-Backbone interact. energy: -2.712 local terms energy: -373.000786 where: bonds (distance) C4'-P energy: -98.119 bonds (distance) P-C4' energy: -105.625 flat angles C4'-P-C4' energy: -91.985 flat angles P-C4'-P energy: -61.597 tors. eta vs tors. theta energy: -15.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -435.337286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.337286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.337286 (E_RNA) where: Base-Base interactions energy: -163.745 where: short stacking energy: -134.114 Base-Backbone interact. energy: -0.839 local terms energy: -270.753161 where: bonds (distance) C4'-P energy: -82.872 bonds (distance) P-C4' energy: -90.734 flat angles C4'-P-C4' energy: -64.693 flat angles P-C4'-P energy: -41.684 tors. eta vs tors. theta energy: 9.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -428.690103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.690103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.690103 (E_RNA) where: Base-Base interactions energy: -154.292 where: short stacking energy: -135.554 Base-Backbone interact. energy: 3.349 local terms energy: -277.746588 where: bonds (distance) C4'-P energy: -98.622 bonds (distance) P-C4' energy: -77.670 flat angles C4'-P-C4' energy: -70.277 flat angles P-C4'-P energy: -51.187 tors. eta vs tors. theta energy: 20.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1916.772818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.772818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.772818 (E_RNA) where: Base-Base interactions energy: -1323.806 where: short stacking energy: -563.531 Base-Backbone interact. energy: -0.953 local terms energy: -592.013917 where: bonds (distance) C4'-P energy: -104.692 bonds (distance) P-C4' energy: -114.414 flat angles C4'-P-C4' energy: -125.095 flat angles P-C4'-P energy: -85.603 tors. eta vs tors. theta energy: -162.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1768.018112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.018112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.018112 (E_RNA) where: Base-Base interactions energy: -1208.437 where: short stacking energy: -517.118 Base-Backbone interact. energy: -3.128 local terms energy: -556.452866 where: bonds (distance) C4'-P energy: -102.950 bonds (distance) P-C4' energy: -112.078 flat angles C4'-P-C4' energy: -114.419 flat angles P-C4'-P energy: -81.681 tors. eta vs tors. theta energy: -145.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1670.494563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.494563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.494563 (E_RNA) where: Base-Base interactions energy: -1113.049 where: short stacking energy: -480.572 Base-Backbone interact. energy: 0.315 local terms energy: -557.760615 where: bonds (distance) C4'-P energy: -106.445 bonds (distance) P-C4' energy: -106.410 flat angles C4'-P-C4' energy: -116.426 flat angles P-C4'-P energy: -79.249 tors. eta vs tors. theta energy: -149.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1607.109709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.109709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.109709 (E_RNA) where: Base-Base interactions energy: -1085.732 where: short stacking energy: -457.797 Base-Backbone interact. energy: -2.039 local terms energy: -519.338945 where: bonds (distance) C4'-P energy: -99.257 bonds (distance) P-C4' energy: -101.997 flat angles C4'-P-C4' energy: -113.925 flat angles P-C4'-P energy: -73.381 tors. eta vs tors. theta energy: -130.780 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: 8 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1418.901646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.901646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.901646 (E_RNA) where: Base-Base interactions energy: -936.459 where: short stacking energy: -407.527 Base-Backbone interact. energy: -0.172 local terms energy: -482.271293 where: bonds (distance) C4'-P energy: -97.260 bonds (distance) P-C4' energy: -92.098 flat angles C4'-P-C4' energy: -107.880 flat angles P-C4'-P energy: -71.525 tors. eta vs tors. theta energy: -113.508 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: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1390.531509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.531509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.531509 (E_RNA) where: Base-Base interactions energy: -933.985 where: short stacking energy: -407.710 Base-Backbone interact. energy: 0.547 local terms energy: -457.093475 where: bonds (distance) C4'-P energy: -92.478 bonds (distance) P-C4' energy: -96.455 flat angles C4'-P-C4' energy: -97.033 flat angles P-C4'-P energy: -68.486 tors. eta vs tors. theta energy: -102.641 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: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1087.570917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.570917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.570917 (E_RNA) where: Base-Base interactions energy: -662.610 where: short stacking energy: -301.340 Base-Backbone interact. energy: -2.567 local terms energy: -422.394110 where: bonds (distance) C4'-P energy: -92.246 bonds (distance) P-C4' energy: -92.176 flat angles C4'-P-C4' energy: -102.913 flat angles P-C4'-P energy: -74.633 tors. eta vs tors. theta energy: -60.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -765.684867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.684867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.684867 (E_RNA) where: Base-Base interactions energy: -401.139 where: short stacking energy: -228.047 Base-Backbone interact. energy: 3.504 local terms energy: -368.049213 where: bonds (distance) C4'-P energy: -93.488 bonds (distance) P-C4' energy: -98.658 flat angles C4'-P-C4' energy: -93.180 flat angles P-C4'-P energy: -64.083 tors. eta vs tors. theta energy: -18.640 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: 9, replica: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -436.867964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.867964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.867964 (E_RNA) where: Base-Base interactions energy: -169.256 where: short stacking energy: -111.157 Base-Backbone interact. energy: -2.411 local terms energy: -265.200763 where: bonds (distance) C4'-P energy: -77.632 bonds (distance) P-C4' energy: -95.381 flat angles C4'-P-C4' energy: -73.318 flat angles P-C4'-P energy: -50.669 tors. eta vs tors. theta energy: 31.799 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: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -414.009815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.009815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.009815 (E_RNA) where: Base-Base interactions energy: -130.592 where: short stacking energy: -104.034 Base-Backbone interact. energy: 3.972 local terms energy: -287.390067 where: bonds (distance) C4'-P energy: -94.939 bonds (distance) P-C4' energy: -105.277 flat angles C4'-P-C4' energy: -71.472 flat angles P-C4'-P energy: -31.734 tors. eta vs tors. theta energy: 16.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1903.239635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.239635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.239635 (E_RNA) where: Base-Base interactions energy: -1303.720 where: short stacking energy: -555.695 Base-Backbone interact. energy: 0.770 local terms energy: -600.288964 where: bonds (distance) C4'-P energy: -113.522 bonds (distance) P-C4' energy: -105.148 flat angles C4'-P-C4' energy: -130.616 flat angles P-C4'-P energy: -82.736 tors. eta vs tors. theta energy: -168.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1762.074053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.074053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.074053 (E_RNA) where: Base-Base interactions energy: -1199.673 where: short stacking energy: -503.697 Base-Backbone interact. energy: -4.884 local terms energy: -557.516139 where: bonds (distance) C4'-P energy: -115.190 bonds (distance) P-C4' energy: -96.971 flat angles C4'-P-C4' energy: -126.078 flat angles P-C4'-P energy: -66.713 tors. eta vs tors. theta energy: -152.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1701.685205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.685205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.685205 (E_RNA) where: Base-Base interactions energy: -1163.220 where: short stacking energy: -494.490 Base-Backbone interact. energy: -2.831 local terms energy: -535.634729 where: bonds (distance) C4'-P energy: -92.331 bonds (distance) P-C4' energy: -102.533 flat angles C4'-P-C4' energy: -104.049 flat angles P-C4'-P energy: -84.305 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: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1580.716003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.716003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.716003 (E_RNA) where: Base-Base interactions energy: -1047.682 where: short stacking energy: -443.787 Base-Backbone interact. energy: -2.577 local terms energy: -530.456177 where: bonds (distance) C4'-P energy: -92.345 bonds (distance) P-C4' energy: -119.076 flat angles C4'-P-C4' energy: -116.893 flat angles P-C4'-P energy: -78.175 tors. eta vs tors. theta energy: -123.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1442.415178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.415178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.415178 (E_RNA) where: Base-Base interactions energy: -919.774 where: short stacking energy: -420.170 Base-Backbone interact. energy: -1.874 local terms energy: -520.767592 where: bonds (distance) C4'-P energy: -102.244 bonds (distance) P-C4' energy: -93.403 flat angles C4'-P-C4' energy: -107.609 flat angles P-C4'-P energy: -80.084 tors. eta vs tors. theta energy: -137.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1386.985623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.985623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.985623 (E_RNA) where: Base-Base interactions energy: -928.853 where: short stacking energy: -382.126 Base-Backbone interact. energy: -3.274 local terms energy: -454.858622 where: bonds (distance) C4'-P energy: -84.496 bonds (distance) P-C4' energy: -99.416 flat angles C4'-P-C4' energy: -96.251 flat angles P-C4'-P energy: -63.902 tors. eta vs tors. theta energy: -110.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1083.736378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.736378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.736378 (E_RNA) where: Base-Base interactions energy: -667.901 where: short stacking energy: -319.178 Base-Backbone interact. energy: -3.240 local terms energy: -412.595057 where: bonds (distance) C4'-P energy: -99.133 bonds (distance) P-C4' energy: -101.066 flat angles C4'-P-C4' energy: -85.604 flat angles P-C4'-P energy: -61.721 tors. eta vs tors. theta energy: -65.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -782.882751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.882751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.882751 (E_RNA) where: Base-Base interactions energy: -417.689 where: short stacking energy: -221.264 Base-Backbone interact. energy: 5.470 local terms energy: -370.663569 where: bonds (distance) C4'-P energy: -87.590 bonds (distance) P-C4' energy: -87.389 flat angles C4'-P-C4' energy: -111.903 flat angles P-C4'-P energy: -58.345 tors. eta vs tors. theta energy: -25.436 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: 359 Temperature: 1.300000 Total energy: -436.861229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.861229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.861229 (E_RNA) where: Base-Base interactions energy: -148.441 where: short stacking energy: -143.487 Base-Backbone interact. energy: 0.967 local terms energy: -289.387058 where: bonds (distance) C4'-P energy: -98.233 bonds (distance) P-C4' energy: -84.556 flat angles C4'-P-C4' energy: -50.204 flat angles P-C4'-P energy: -57.903 tors. eta vs tors. theta energy: 1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -427.284177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.284177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.284177 (E_RNA) where: Base-Base interactions energy: -124.355 where: short stacking energy: -101.969 Base-Backbone interact. energy: -2.543 local terms energy: -300.386261 where: bonds (distance) C4'-P energy: -93.120 bonds (distance) P-C4' energy: -87.128 flat angles C4'-P-C4' energy: -86.088 flat angles P-C4'-P energy: -60.343 tors. eta vs tors. theta energy: 26.293 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: 1, replica: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1867.167509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.167509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.167509 (E_RNA) where: Base-Base interactions energy: -1291.625 where: short stacking energy: -531.034 Base-Backbone interact. energy: -2.455 local terms energy: -573.087844 where: bonds (distance) C4'-P energy: -108.057 bonds (distance) P-C4' energy: -105.928 flat angles C4'-P-C4' energy: -115.756 flat angles P-C4'-P energy: -83.244 tors. eta vs tors. theta energy: -160.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1770.203080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.203080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.203080 (E_RNA) where: Base-Base interactions energy: -1198.980 where: short stacking energy: -511.219 Base-Backbone interact. energy: -1.152 local terms energy: -570.071126 where: bonds (distance) C4'-P energy: -109.719 bonds (distance) P-C4' energy: -120.542 flat angles C4'-P-C4' energy: -120.404 flat angles P-C4'-P energy: -67.331 tors. eta vs tors. theta energy: -152.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1724.883048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.883048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.883048 (E_RNA) where: Base-Base interactions energy: -1175.522 where: short stacking energy: -502.080 Base-Backbone interact. energy: 1.593 local terms energy: -550.954360 where: bonds (distance) C4'-P energy: -90.868 bonds (distance) P-C4' energy: -107.052 flat angles C4'-P-C4' energy: -122.784 flat angles P-C4'-P energy: -71.404 tors. eta vs tors. theta energy: -158.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1561.124386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.124386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.124386 (E_RNA) where: Base-Base interactions energy: -1041.225 where: short stacking energy: -461.881 Base-Backbone interact. energy: 0.341 local terms energy: -520.240771 where: bonds (distance) C4'-P energy: -92.843 bonds (distance) P-C4' energy: -105.375 flat angles C4'-P-C4' energy: -114.160 flat angles P-C4'-P energy: -70.190 tors. eta vs tors. theta energy: -137.674 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: 8 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1425.029853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.029853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.029853 (E_RNA) where: Base-Base interactions energy: -947.855 where: short stacking energy: -407.160 Base-Backbone interact. energy: -2.686 local terms energy: -474.488419 where: bonds (distance) C4'-P energy: -85.698 bonds (distance) P-C4' energy: -102.438 flat angles C4'-P-C4' energy: -103.752 flat angles P-C4'-P energy: -60.294 tors. eta vs tors. theta energy: -122.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1364.042777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.042777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.042777 (E_RNA) where: Base-Base interactions energy: -902.480 where: short stacking energy: -369.507 Base-Backbone interact. energy: -6.188 local terms energy: -455.375464 where: bonds (distance) C4'-P energy: -86.105 bonds (distance) P-C4' energy: -91.056 flat angles C4'-P-C4' energy: -117.086 flat angles P-C4'-P energy: -62.460 tors. eta vs tors. theta energy: -98.668 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: 360 Temperature: 1.200000 Total energy: -953.200185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.200185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.200185 (E_RNA) where: Base-Base interactions energy: -556.808 where: short stacking energy: -264.570 Base-Backbone interact. energy: 0.502 local terms energy: -396.894259 where: bonds (distance) C4'-P energy: -80.065 bonds (distance) P-C4' energy: -110.487 flat angles C4'-P-C4' energy: -95.250 flat angles P-C4'-P energy: -60.009 tors. eta vs tors. theta energy: -51.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -750.608611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.608611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.608611 (E_RNA) where: Base-Base interactions energy: -404.395 where: short stacking energy: -225.365 Base-Backbone interact. energy: 0.223 local terms energy: -346.436026 where: bonds (distance) C4'-P energy: -85.657 bonds (distance) P-C4' energy: -96.336 flat angles C4'-P-C4' energy: -83.737 flat angles P-C4'-P energy: -53.971 tors. eta vs tors. theta energy: -26.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -462.986747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.986747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.986747 (E_RNA) where: Base-Base interactions energy: -159.516 where: short stacking energy: -129.892 Base-Backbone interact. energy: -0.962 local terms energy: -302.507932 where: bonds (distance) C4'-P energy: -93.723 bonds (distance) P-C4' energy: -94.831 flat angles C4'-P-C4' energy: -77.609 flat angles P-C4'-P energy: -53.558 tors. eta vs tors. theta energy: 17.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -411.533014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.533014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.533014 (E_RNA) where: Base-Base interactions energy: -132.355 where: short stacking energy: -90.689 Base-Backbone interact. energy: 1.979 local terms energy: -281.156899 where: bonds (distance) C4'-P energy: -94.412 bonds (distance) P-C4' energy: -93.340 flat angles C4'-P-C4' energy: -76.365 flat angles P-C4'-P energy: -47.210 tors. eta vs tors. theta energy: 30.169 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: 361 Temperature: 0.900000 Total energy: -1898.270729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.270729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.270729 (E_RNA) where: Base-Base interactions energy: -1308.146 where: short stacking energy: -567.886 Base-Backbone interact. energy: -3.215 local terms energy: -586.908987 where: bonds (distance) C4'-P energy: -111.806 bonds (distance) P-C4' energy: -97.258 flat angles C4'-P-C4' energy: -119.593 flat angles P-C4'-P energy: -85.522 tors. eta vs tors. theta energy: -172.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1739.720068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.720068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.720068 (E_RNA) where: Base-Base interactions energy: -1184.523 where: short stacking energy: -515.700 Base-Backbone interact. energy: -0.434 local terms energy: -554.763713 where: bonds (distance) C4'-P energy: -111.391 bonds (distance) P-C4' energy: -88.549 flat angles C4'-P-C4' energy: -128.269 flat angles P-C4'-P energy: -70.288 tors. eta vs tors. theta energy: -156.267 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: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1742.422313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.422313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.422313 (E_RNA) where: Base-Base interactions energy: -1193.598 where: short stacking energy: -505.139 Base-Backbone interact. energy: -2.477 local terms energy: -546.347285 where: bonds (distance) C4'-P energy: -111.066 bonds (distance) P-C4' energy: -98.008 flat angles C4'-P-C4' energy: -118.739 flat angles P-C4'-P energy: -69.819 tors. eta vs tors. theta energy: -148.715 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: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1531.051560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.051560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.051560 (E_RNA) where: Base-Base interactions energy: -1051.473 where: short stacking energy: -438.041 Base-Backbone interact. energy: -4.518 local terms energy: -475.061237 where: bonds (distance) C4'-P energy: -97.475 bonds (distance) P-C4' energy: -100.526 flat angles C4'-P-C4' energy: -98.178 flat angles P-C4'-P energy: -64.927 tors. eta vs tors. theta energy: -113.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1444.233787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.233787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.233787 (E_RNA) where: Base-Base interactions energy: -956.454 where: short stacking energy: -430.512 Base-Backbone interact. energy: -1.419 local terms energy: -486.361220 where: bonds (distance) C4'-P energy: -95.766 bonds (distance) P-C4' energy: -89.215 flat angles C4'-P-C4' energy: -109.807 flat angles P-C4'-P energy: -68.912 tors. eta vs tors. theta energy: -122.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1359.106757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.106757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.106757 (E_RNA) where: Base-Base interactions energy: -905.060 where: short stacking energy: -371.448 Base-Backbone interact. energy: -1.331 local terms energy: -452.716479 where: bonds (distance) C4'-P energy: -88.409 bonds (distance) P-C4' energy: -103.399 flat angles C4'-P-C4' energy: -108.632 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: -84.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -952.033795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.033795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.033795 (E_RNA) where: Base-Base interactions energy: -552.559 where: short stacking energy: -283.814 Base-Backbone interact. energy: -0.934 local terms energy: -398.540545 where: bonds (distance) C4'-P energy: -110.971 bonds (distance) P-C4' energy: -93.017 flat angles C4'-P-C4' energy: -90.858 flat angles P-C4'-P energy: -59.658 tors. eta vs tors. theta energy: -44.037 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: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -773.118939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.118939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.118939 (E_RNA) where: Base-Base interactions energy: -446.045 where: short stacking energy: -221.832 Base-Backbone interact. energy: 2.790 local terms energy: -329.864043 where: bonds (distance) C4'-P energy: -90.544 bonds (distance) P-C4' energy: -86.342 flat angles C4'-P-C4' energy: -98.847 flat angles P-C4'-P energy: -35.195 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: 9 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -458.364246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.364246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.364246 (E_RNA) where: Base-Base interactions energy: -159.180 where: short stacking energy: -132.845 Base-Backbone interact. energy: 0.517 local terms energy: -299.701553 where: bonds (distance) C4'-P energy: -95.446 bonds (distance) P-C4' energy: -105.351 flat angles C4'-P-C4' energy: -71.554 flat angles P-C4'-P energy: -46.930 tors. eta vs tors. theta energy: 19.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -421.213619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.213619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.213619 (E_RNA) where: Base-Base interactions energy: -154.413 where: short stacking energy: -101.903 Base-Backbone interact. energy: 0.538 local terms energy: -267.338909 where: bonds (distance) C4'-P energy: -66.004 bonds (distance) P-C4' energy: -102.342 flat angles C4'-P-C4' energy: -74.748 flat angles P-C4'-P energy: -39.184 tors. eta vs tors. theta energy: 14.938 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: 362 Temperature: 0.900000 Total energy: -1894.783869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.783869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.783869 (E_RNA) where: Base-Base interactions energy: -1295.801 where: short stacking energy: -564.368 Base-Backbone interact. energy: -3.042 local terms energy: -595.941738 where: bonds (distance) C4'-P energy: -108.420 bonds (distance) P-C4' energy: -102.488 flat angles C4'-P-C4' energy: -125.198 flat angles P-C4'-P energy: -88.744 tors. eta vs tors. theta energy: -171.091 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: 362 Temperature: 0.950000 Total energy: -1734.779032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.779032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.779032 (E_RNA) where: Base-Base interactions energy: -1185.583 where: short stacking energy: -514.711 Base-Backbone interact. energy: -1.916 local terms energy: -547.280275 where: bonds (distance) C4'-P energy: -108.107 bonds (distance) P-C4' energy: -109.903 flat angles C4'-P-C4' energy: -107.576 flat angles P-C4'-P energy: -80.472 tors. eta vs tors. theta energy: -141.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1762.944410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.944410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.944410 (E_RNA) where: Base-Base interactions energy: -1205.010 where: short stacking energy: -509.053 Base-Backbone interact. energy: 1.079 local terms energy: -559.014293 where: bonds (distance) C4'-P energy: -102.195 bonds (distance) P-C4' energy: -112.124 flat angles C4'-P-C4' energy: -115.878 flat angles P-C4'-P energy: -73.270 tors. eta vs tors. theta energy: -155.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1520.289135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.289135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.289135 (E_RNA) where: Base-Base interactions energy: -1032.152 where: short stacking energy: -444.618 Base-Backbone interact. energy: -0.825 local terms energy: -487.312412 where: bonds (distance) C4'-P energy: -85.526 bonds (distance) P-C4' energy: -111.313 flat angles C4'-P-C4' energy: -109.336 flat angles P-C4'-P energy: -68.904 tors. eta vs tors. theta energy: -112.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1472.188914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.188914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.188914 (E_RNA) where: Base-Base interactions energy: -940.961 where: short stacking energy: -439.096 Base-Backbone interact. energy: -2.839 local terms energy: -528.388882 where: bonds (distance) C4'-P energy: -105.291 bonds (distance) P-C4' energy: -93.429 flat angles C4'-P-C4' energy: -122.904 flat angles P-C4'-P energy: -82.113 tors. eta vs tors. theta energy: -124.652 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: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1363.184365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.184365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.184365 (E_RNA) where: Base-Base interactions energy: -903.163 where: short stacking energy: -384.069 Base-Backbone interact. energy: 5.468 local terms energy: -465.489216 where: bonds (distance) C4'-P energy: -96.159 bonds (distance) P-C4' energy: -99.822 flat angles C4'-P-C4' energy: -101.299 flat angles P-C4'-P energy: -63.932 tors. eta vs tors. theta energy: -104.277 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: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -973.824629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.824629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.824629 (E_RNA) where: Base-Base interactions energy: -601.804 where: short stacking energy: -281.351 Base-Backbone interact. energy: -2.505 local terms energy: -369.515777 where: bonds (distance) C4'-P energy: -87.426 bonds (distance) P-C4' energy: -109.085 flat angles C4'-P-C4' energy: -81.378 flat angles P-C4'-P energy: -59.147 tors. eta vs tors. theta energy: -32.480 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: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -798.534125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.534125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.534125 (E_RNA) where: Base-Base interactions energy: -454.385 where: short stacking energy: -241.190 Base-Backbone interact. energy: -1.729 local terms energy: -342.420712 where: bonds (distance) C4'-P energy: -84.948 bonds (distance) P-C4' energy: -95.724 flat angles C4'-P-C4' energy: -85.979 flat angles P-C4'-P energy: -54.981 tors. eta vs tors. theta energy: -20.788 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: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -469.750554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.750554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.750554 (E_RNA) where: Base-Base interactions energy: -162.122 where: short stacking energy: -123.292 Base-Backbone interact. energy: -1.567 local terms energy: -306.062366 where: bonds (distance) C4'-P energy: -92.613 bonds (distance) P-C4' energy: -102.708 flat angles C4'-P-C4' energy: -76.686 flat angles P-C4'-P energy: -47.875 tors. eta vs tors. theta energy: 13.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -415.007512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.007512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.007512 (E_RNA) where: Base-Base interactions energy: -135.335 where: short stacking energy: -109.827 Base-Backbone interact. energy: -1.122 local terms energy: -278.550276 where: bonds (distance) C4'-P energy: -95.516 bonds (distance) P-C4' energy: -94.641 flat angles C4'-P-C4' energy: -87.585 flat angles P-C4'-P energy: -34.171 tors. eta vs tors. theta energy: 33.362 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: 363 Temperature: 0.900000 Total energy: -1922.198824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.198824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.198824 (E_RNA) where: Base-Base interactions energy: -1313.250 where: short stacking energy: -549.196 Base-Backbone interact. energy: -2.536 local terms energy: -606.412792 where: bonds (distance) C4'-P energy: -118.512 bonds (distance) P-C4' energy: -109.706 flat angles C4'-P-C4' energy: -126.209 flat angles P-C4'-P energy: -80.777 tors. eta vs tors. theta energy: -171.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1783.127217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.127217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.127217 (E_RNA) where: Base-Base interactions energy: -1201.096 where: short stacking energy: -510.807 Base-Backbone interact. energy: -0.029 local terms energy: -582.002472 where: bonds (distance) C4'-P energy: -95.980 bonds (distance) P-C4' energy: -117.792 flat angles C4'-P-C4' energy: -123.201 flat angles P-C4'-P energy: -88.895 tors. eta vs tors. theta energy: -156.134 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: 1 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1710.856145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.856145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.856145 (E_RNA) where: Base-Base interactions energy: -1174.832 where: short stacking energy: -490.080 Base-Backbone interact. energy: 1.394 local terms energy: -537.417766 where: bonds (distance) C4'-P energy: -86.379 bonds (distance) P-C4' energy: -106.886 flat angles C4'-P-C4' energy: -111.803 flat angles P-C4'-P energy: -81.325 tors. eta vs tors. theta energy: -151.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1512.318787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.318787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.318787 (E_RNA) where: Base-Base interactions energy: -990.945 where: short stacking energy: -424.806 Base-Backbone interact. energy: -1.715 local terms energy: -519.658940 where: bonds (distance) C4'-P energy: -105.669 bonds (distance) P-C4' energy: -105.129 flat angles C4'-P-C4' energy: -125.027 flat angles P-C4'-P energy: -72.351 tors. eta vs tors. theta energy: -111.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1480.462427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.462427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.462427 (E_RNA) where: Base-Base interactions energy: -1000.205 where: short stacking energy: -460.283 Base-Backbone interact. energy: -0.572 local terms energy: -479.686052 where: bonds (distance) C4'-P energy: -85.265 bonds (distance) P-C4' energy: -87.278 flat angles C4'-P-C4' energy: -113.456 flat angles P-C4'-P energy: -55.278 tors. eta vs tors. theta energy: -138.408 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: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1329.676115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.676115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.676115 (E_RNA) where: Base-Base interactions energy: -887.450 where: short stacking energy: -371.357 Base-Backbone interact. energy: 1.446 local terms energy: -443.672875 where: bonds (distance) C4'-P energy: -106.961 bonds (distance) P-C4' energy: -94.527 flat angles C4'-P-C4' energy: -102.386 flat angles P-C4'-P energy: -47.123 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: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -908.961993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.961993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.961993 (E_RNA) where: Base-Base interactions energy: -506.570 where: short stacking energy: -256.064 Base-Backbone interact. energy: -3.141 local terms energy: -399.250850 where: bonds (distance) C4'-P energy: -104.665 bonds (distance) P-C4' energy: -97.514 flat angles C4'-P-C4' energy: -92.239 flat angles P-C4'-P energy: -57.539 tors. eta vs tors. theta energy: -47.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -860.787533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.787533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.787533 (E_RNA) where: Base-Base interactions energy: -475.754 where: short stacking energy: -229.500 Base-Backbone interact. energy: 3.976 local terms energy: -389.009627 where: bonds (distance) C4'-P energy: -104.272 bonds (distance) P-C4' energy: -98.510 flat angles C4'-P-C4' energy: -102.083 flat angles P-C4'-P energy: -42.571 tors. eta vs tors. theta energy: -41.573 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: 363 Temperature: 1.300000 Total energy: -458.135841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.135841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.135841 (E_RNA) where: Base-Base interactions energy: -152.311 where: short stacking energy: -130.478 Base-Backbone interact. energy: -1.037 local terms energy: -304.788190 where: bonds (distance) C4'-P energy: -86.187 bonds (distance) P-C4' energy: -96.736 flat angles C4'-P-C4' energy: -81.982 flat angles P-C4'-P energy: -41.027 tors. eta vs tors. theta energy: 1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -420.050718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.050718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.050718 (E_RNA) where: Base-Base interactions energy: -129.651 where: short stacking energy: -101.926 Base-Backbone interact. energy: 0.354 local terms energy: -290.754599 where: bonds (distance) C4'-P energy: -85.659 bonds (distance) P-C4' energy: -111.470 flat angles C4'-P-C4' energy: -67.425 flat angles P-C4'-P energy: -41.840 tors. eta vs tors. theta energy: 15.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1891.075674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.075674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.075674 (E_RNA) where: Base-Base interactions energy: -1305.836 where: short stacking energy: -565.597 Base-Backbone interact. energy: 0.339 local terms energy: -585.578037 where: bonds (distance) C4'-P energy: -111.799 bonds (distance) P-C4' energy: -117.964 flat angles C4'-P-C4' energy: -116.456 flat angles P-C4'-P energy: -75.637 tors. eta vs tors. theta energy: -163.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1763.697903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.697903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.697903 (E_RNA) where: Base-Base interactions energy: -1215.962 where: short stacking energy: -512.698 Base-Backbone interact. energy: 3.805 local terms energy: -551.541682 where: bonds (distance) C4'-P energy: -108.985 bonds (distance) P-C4' energy: -108.677 flat angles C4'-P-C4' energy: -125.974 flat angles P-C4'-P energy: -67.806 tors. eta vs tors. theta energy: -140.100 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: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1726.666982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.666982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.666982 (E_RNA) where: Base-Base interactions energy: -1165.586 where: short stacking energy: -514.602 Base-Backbone interact. energy: -3.630 local terms energy: -557.450920 where: bonds (distance) C4'-P energy: -103.844 bonds (distance) P-C4' energy: -104.405 flat angles C4'-P-C4' energy: -117.750 flat angles P-C4'-P energy: -74.205 tors. eta vs tors. theta energy: -157.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1506.190184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.190184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.190184 (E_RNA) where: Base-Base interactions energy: -984.917 where: short stacking energy: -434.556 Base-Backbone interact. energy: -1.073 local terms energy: -520.200374 where: bonds (distance) C4'-P energy: -107.638 bonds (distance) P-C4' energy: -107.005 flat angles C4'-P-C4' energy: -110.457 flat angles P-C4'-P energy: -76.176 tors. eta vs tors. theta energy: -118.925 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: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1432.379753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.379753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.379753 (E_RNA) where: Base-Base interactions energy: -909.913 where: short stacking energy: -408.504 Base-Backbone interact. energy: -0.456 local terms energy: -522.010809 where: bonds (distance) C4'-P energy: -95.713 bonds (distance) P-C4' energy: -109.931 flat angles C4'-P-C4' energy: -117.231 flat angles P-C4'-P energy: -72.657 tors. eta vs tors. theta energy: -126.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1296.849484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.849484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.849484 (E_RNA) where: Base-Base interactions energy: -823.917 where: short stacking energy: -381.323 Base-Backbone interact. energy: -0.874 local terms energy: -472.058511 where: bonds (distance) C4'-P energy: -101.837 bonds (distance) P-C4' energy: -107.147 flat angles C4'-P-C4' energy: -96.021 flat angles P-C4'-P energy: -65.356 tors. eta vs tors. theta energy: -101.697 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: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -987.790149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.790149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.790149 (E_RNA) where: Base-Base interactions energy: -593.762 where: short stacking energy: -288.171 Base-Backbone interact. energy: 1.620 local terms energy: -395.648553 where: bonds (distance) C4'-P energy: -93.391 bonds (distance) P-C4' energy: -104.593 flat angles C4'-P-C4' energy: -72.139 flat angles P-C4'-P energy: -61.064 tors. eta vs tors. theta energy: -64.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -857.582866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.582866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.582866 (E_RNA) where: Base-Base interactions energy: -469.659 where: short stacking energy: -237.129 Base-Backbone interact. energy: -3.032 local terms energy: -384.891762 where: bonds (distance) C4'-P energy: -82.636 bonds (distance) P-C4' energy: -110.949 flat angles C4'-P-C4' energy: -92.624 flat angles P-C4'-P energy: -62.539 tors. eta vs tors. theta energy: -36.144 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: 4 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -457.478664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.478664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.478664 (E_RNA) where: Base-Base interactions energy: -164.693 where: short stacking energy: -127.922 Base-Backbone interact. energy: -0.137 local terms energy: -292.648866 where: bonds (distance) C4'-P energy: -96.310 bonds (distance) P-C4' energy: -103.036 flat angles C4'-P-C4' energy: -71.252 flat angles P-C4'-P energy: -28.809 tors. eta vs tors. theta energy: 6.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -449.878008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.878008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.878008 (E_RNA) where: Base-Base interactions energy: -133.493 where: short stacking energy: -104.159 Base-Backbone interact. energy: -0.711 local terms energy: -315.673936 where: bonds (distance) C4'-P energy: -89.626 bonds (distance) P-C4' energy: -106.290 flat angles C4'-P-C4' energy: -82.754 flat angles P-C4'-P energy: -48.493 tors. eta vs tors. theta energy: 11.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1883.254650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.254650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.254650 (E_RNA) where: Base-Base interactions energy: -1301.485 where: short stacking energy: -543.991 Base-Backbone interact. energy: -0.354 local terms energy: -581.415403 where: bonds (distance) C4'-P energy: -122.655 bonds (distance) P-C4' energy: -96.375 flat angles C4'-P-C4' energy: -124.329 flat angles P-C4'-P energy: -87.799 tors. eta vs tors. theta energy: -150.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1764.747080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.747080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.747080 (E_RNA) where: Base-Base interactions energy: -1213.840 where: short stacking energy: -505.573 Base-Backbone interact. energy: 5.434 local terms energy: -556.341879 where: bonds (distance) C4'-P energy: -115.078 bonds (distance) P-C4' energy: -98.387 flat angles C4'-P-C4' energy: -126.723 flat angles P-C4'-P energy: -74.990 tors. eta vs tors. theta energy: -141.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1711.720696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.720696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.720696 (E_RNA) where: Base-Base interactions energy: -1164.285 where: short stacking energy: -502.806 Base-Backbone interact. energy: -2.681 local terms energy: -544.754827 where: bonds (distance) C4'-P energy: -106.474 bonds (distance) P-C4' energy: -103.540 flat angles C4'-P-C4' energy: -108.938 flat angles P-C4'-P energy: -72.869 tors. eta vs tors. theta energy: -152.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1532.205281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.205281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.205281 (E_RNA) where: Base-Base interactions energy: -1021.280 where: short stacking energy: -427.395 Base-Backbone interact. energy: -0.869 local terms energy: -510.056386 where: bonds (distance) C4'-P energy: -105.327 bonds (distance) P-C4' energy: -111.903 flat angles C4'-P-C4' energy: -106.921 flat angles P-C4'-P energy: -59.262 tors. eta vs tors. theta energy: -126.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1471.904293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.904293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.904293 (E_RNA) where: Base-Base interactions energy: -961.335 where: short stacking energy: -434.771 Base-Backbone interact. energy: 0.235 local terms energy: -510.804739 where: bonds (distance) C4'-P energy: -98.944 bonds (distance) P-C4' energy: -101.838 flat angles C4'-P-C4' energy: -101.887 flat angles P-C4'-P energy: -66.731 tors. eta vs tors. theta energy: -141.404 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: 2 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1330.326712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.326712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.326712 (E_RNA) where: Base-Base interactions energy: -860.446 where: short stacking energy: -384.150 Base-Backbone interact. energy: -2.288 local terms energy: -467.592432 where: bonds (distance) C4'-P energy: -108.042 bonds (distance) P-C4' energy: -105.584 flat angles C4'-P-C4' energy: -100.264 flat angles P-C4'-P energy: -55.929 tors. eta vs tors. theta energy: -97.774 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: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1013.477940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.477940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.477940 (E_RNA) where: Base-Base interactions energy: -651.021 where: short stacking energy: -283.937 Base-Backbone interact. energy: -1.886 local terms energy: -360.570381 where: bonds (distance) C4'-P energy: -79.435 bonds (distance) P-C4' energy: -97.422 flat angles C4'-P-C4' energy: -92.286 flat angles P-C4'-P energy: -47.833 tors. eta vs tors. theta energy: -43.594 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: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -831.705557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.705557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.705557 (E_RNA) where: Base-Base interactions energy: -483.134 where: short stacking energy: -217.869 Base-Backbone interact. energy: 0.721 local terms energy: -349.292283 where: bonds (distance) C4'-P energy: -83.314 bonds (distance) P-C4' energy: -96.373 flat angles C4'-P-C4' energy: -98.590 flat angles P-C4'-P energy: -29.739 tors. eta vs tors. theta energy: -41.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -475.752507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.752507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.752507 (E_RNA) where: Base-Base interactions energy: -198.493 where: short stacking energy: -149.343 Base-Backbone interact. energy: 1.044 local terms energy: -278.303838 where: bonds (distance) C4'-P energy: -86.687 bonds (distance) P-C4' energy: -86.550 flat angles C4'-P-C4' energy: -61.169 flat angles P-C4'-P energy: -57.137 tors. eta vs tors. theta energy: 13.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -414.005018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.005018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.005018 (E_RNA) where: Base-Base interactions energy: -114.742 where: short stacking energy: -105.947 Base-Backbone interact. energy: 3.397 local terms energy: -302.659915 where: bonds (distance) C4'-P energy: -105.381 bonds (distance) P-C4' energy: -105.929 flat angles C4'-P-C4' energy: -89.597 flat angles P-C4'-P energy: -38.343 tors. eta vs tors. theta energy: 36.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1879.438652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.438652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.438652 (E_RNA) where: Base-Base interactions energy: -1260.323 where: short stacking energy: -525.546 Base-Backbone interact. energy: -3.555 local terms energy: -615.560155 where: bonds (distance) C4'-P energy: -106.994 bonds (distance) P-C4' energy: -122.053 flat angles C4'-P-C4' energy: -145.056 flat angles P-C4'-P energy: -84.004 tors. eta vs tors. theta energy: -157.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1782.973442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.973442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.973442 (E_RNA) where: Base-Base interactions energy: -1218.599 where: short stacking energy: -528.994 Base-Backbone interact. energy: -3.402 local terms energy: -560.972479 where: bonds (distance) C4'-P energy: -94.056 bonds (distance) P-C4' energy: -121.898 flat angles C4'-P-C4' energy: -121.391 flat angles P-C4'-P energy: -84.864 tors. eta vs tors. theta energy: -138.763 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: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1666.040113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.040113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.040113 (E_RNA) where: Base-Base interactions energy: -1127.716 where: short stacking energy: -483.468 Base-Backbone interact. energy: -2.819 local terms energy: -535.504582 where: bonds (distance) C4'-P energy: -99.335 bonds (distance) P-C4' energy: -100.906 flat angles C4'-P-C4' energy: -121.248 flat angles P-C4'-P energy: -71.330 tors. eta vs tors. theta energy: -142.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1512.151424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.151424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.151424 (E_RNA) where: Base-Base interactions energy: -986.561 where: short stacking energy: -446.064 Base-Backbone interact. energy: -1.430 local terms energy: -524.159626 where: bonds (distance) C4'-P energy: -100.107 bonds (distance) P-C4' energy: -104.665 flat angles C4'-P-C4' energy: -115.538 flat angles P-C4'-P energy: -74.655 tors. eta vs tors. theta energy: -129.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1436.672752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.672752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.672752 (E_RNA) where: Base-Base interactions energy: -948.174 where: short stacking energy: -419.965 Base-Backbone interact. energy: 3.163 local terms energy: -491.662272 where: bonds (distance) C4'-P energy: -100.608 bonds (distance) P-C4' energy: -84.491 flat angles C4'-P-C4' energy: -113.862 flat angles P-C4'-P energy: -75.905 tors. eta vs tors. theta energy: -116.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1262.686007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.686007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.686007 (E_RNA) where: Base-Base interactions energy: -803.715 where: short stacking energy: -348.044 Base-Backbone interact. energy: -2.160 local terms energy: -456.811493 where: bonds (distance) C4'-P energy: -85.328 bonds (distance) P-C4' energy: -109.514 flat angles C4'-P-C4' energy: -97.065 flat angles P-C4'-P energy: -74.945 tors. eta vs tors. theta energy: -89.961 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: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -977.410607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.410607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.410607 (E_RNA) where: Base-Base interactions energy: -559.114 where: short stacking energy: -250.860 Base-Backbone interact. energy: -2.649 local terms energy: -415.647567 where: bonds (distance) C4'-P energy: -106.605 bonds (distance) P-C4' energy: -101.112 flat angles C4'-P-C4' energy: -102.254 flat angles P-C4'-P energy: -56.803 tors. eta vs tors. theta energy: -48.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -821.434962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.434962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.434962 (E_RNA) where: Base-Base interactions energy: -469.889 where: short stacking energy: -236.132 Base-Backbone interact. energy: 3.151 local terms energy: -354.696646 where: bonds (distance) C4'-P energy: -96.389 bonds (distance) P-C4' energy: -95.923 flat angles C4'-P-C4' energy: -73.578 flat angles P-C4'-P energy: -53.759 tors. eta vs tors. theta energy: -35.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -464.434101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.434101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.434101 (E_RNA) where: Base-Base interactions energy: -177.703 where: short stacking energy: -147.926 Base-Backbone interact. energy: -2.194 local terms energy: -284.537311 where: bonds (distance) C4'-P energy: -89.218 bonds (distance) P-C4' energy: -93.422 flat angles C4'-P-C4' energy: -83.247 flat angles P-C4'-P energy: -28.003 tors. eta vs tors. theta energy: 9.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -435.103919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.103919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.103919 (E_RNA) where: Base-Base interactions energy: -150.410 where: short stacking energy: -148.176 Base-Backbone interact. energy: -0.850 local terms energy: -283.843829 where: bonds (distance) C4'-P energy: -90.757 bonds (distance) P-C4' energy: -94.625 flat angles C4'-P-C4' energy: -85.038 flat angles P-C4'-P energy: -39.704 tors. eta vs tors. theta energy: 26.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1886.308899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.308899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.308899 (E_RNA) where: Base-Base interactions energy: -1285.912 where: short stacking energy: -550.137 Base-Backbone interact. energy: 0.022 local terms energy: -600.419690 where: bonds (distance) C4'-P energy: -113.756 bonds (distance) P-C4' energy: -123.920 flat angles C4'-P-C4' energy: -121.278 flat angles P-C4'-P energy: -74.337 tors. eta vs tors. theta energy: -167.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1759.944825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.944825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.944825 (E_RNA) where: Base-Base interactions energy: -1228.065 where: short stacking energy: -506.799 Base-Backbone interact. energy: 1.390 local terms energy: -533.269613 where: bonds (distance) C4'-P energy: -105.073 bonds (distance) P-C4' energy: -95.809 flat angles C4'-P-C4' energy: -119.243 flat angles P-C4'-P energy: -77.378 tors. eta vs tors. theta energy: -135.766 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: 1 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1652.052304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.052304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.052304 (E_RNA) where: Base-Base interactions energy: -1096.180 where: short stacking energy: -480.502 Base-Backbone interact. energy: -2.624 local terms energy: -553.247772 where: bonds (distance) C4'-P energy: -112.415 bonds (distance) P-C4' energy: -101.498 flat angles C4'-P-C4' energy: -119.638 flat angles P-C4'-P energy: -76.180 tors. eta vs tors. theta energy: -143.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1500.507583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.507583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.507583 (E_RNA) where: Base-Base interactions energy: -984.887 where: short stacking energy: -423.403 Base-Backbone interact. energy: 1.247 local terms energy: -516.867775 where: bonds (distance) C4'-P energy: -98.583 bonds (distance) P-C4' energy: -107.675 flat angles C4'-P-C4' energy: -124.701 flat angles P-C4'-P energy: -73.366 tors. eta vs tors. theta energy: -112.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1402.824311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.824311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.824311 (E_RNA) where: Base-Base interactions energy: -904.963 where: short stacking energy: -405.918 Base-Backbone interact. energy: -1.857 local terms energy: -496.003647 where: bonds (distance) C4'-P energy: -102.884 bonds (distance) P-C4' energy: -107.496 flat angles C4'-P-C4' energy: -102.255 flat angles P-C4'-P energy: -63.060 tors. eta vs tors. theta energy: -120.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1316.821227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.821227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.821227 (E_RNA) where: Base-Base interactions energy: -850.070 where: short stacking energy: -353.161 Base-Backbone interact. energy: 4.062 local terms energy: -470.813169 where: bonds (distance) C4'-P energy: -91.548 bonds (distance) P-C4' energy: -105.560 flat angles C4'-P-C4' energy: -102.850 flat angles P-C4'-P energy: -74.312 tors. eta vs tors. theta energy: -96.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -957.294741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.294741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.294741 (E_RNA) where: Base-Base interactions energy: -542.730 where: short stacking energy: -287.125 Base-Backbone interact. energy: 1.202 local terms energy: -415.766648 where: bonds (distance) C4'-P energy: -100.343 bonds (distance) P-C4' energy: -91.989 flat angles C4'-P-C4' energy: -106.678 flat angles P-C4'-P energy: -51.893 tors. eta vs tors. theta energy: -64.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -771.944816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.944816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.944816 (E_RNA) where: Base-Base interactions energy: -407.667 where: short stacking energy: -216.145 Base-Backbone interact. energy: -2.450 local terms energy: -361.827739 where: bonds (distance) C4'-P energy: -93.624 bonds (distance) P-C4' energy: -101.606 flat angles C4'-P-C4' energy: -96.224 flat angles P-C4'-P energy: -47.104 tors. eta vs tors. theta energy: -23.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -471.246199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.246199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.246199 (E_RNA) where: Base-Base interactions energy: -176.636 where: short stacking energy: -140.236 Base-Backbone interact. energy: 5.036 local terms energy: -299.645526 where: bonds (distance) C4'-P energy: -84.649 bonds (distance) P-C4' energy: -114.754 flat angles C4'-P-C4' energy: -68.506 flat angles P-C4'-P energy: -48.152 tors. eta vs tors. theta energy: 16.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -452.075869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.075869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.075869 (E_RNA) where: Base-Base interactions energy: -162.525 where: short stacking energy: -136.023 Base-Backbone interact. energy: -0.089 local terms energy: -289.461947 where: bonds (distance) C4'-P energy: -85.440 bonds (distance) P-C4' energy: -92.470 flat angles C4'-P-C4' energy: -81.281 flat angles P-C4'-P energy: -52.196 tors. eta vs tors. theta energy: 21.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1924.136889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.136889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.136889 (E_RNA) where: Base-Base interactions energy: -1292.804 where: short stacking energy: -549.613 Base-Backbone interact. energy: -2.100 local terms energy: -629.232529 where: bonds (distance) C4'-P energy: -115.548 bonds (distance) P-C4' energy: -117.947 flat angles C4'-P-C4' energy: -137.443 flat angles P-C4'-P energy: -84.678 tors. eta vs tors. theta energy: -173.618 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: 2, replica: 3 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1748.979600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.979600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.979600 (E_RNA) where: Base-Base interactions energy: -1223.110 where: short stacking energy: -483.093 Base-Backbone interact. energy: -2.048 local terms energy: -523.822413 where: bonds (distance) C4'-P energy: -95.588 bonds (distance) P-C4' energy: -96.106 flat angles C4'-P-C4' energy: -118.454 flat angles P-C4'-P energy: -69.924 tors. eta vs tors. theta energy: -143.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1665.285179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.285179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.285179 (E_RNA) where: Base-Base interactions energy: -1119.317 where: short stacking energy: -473.902 Base-Backbone interact. energy: -2.773 local terms energy: -543.195030 where: bonds (distance) C4'-P energy: -103.338 bonds (distance) P-C4' energy: -107.408 flat angles C4'-P-C4' energy: -110.415 flat angles P-C4'-P energy: -76.158 tors. eta vs tors. theta energy: -145.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1506.055452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.055452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.055452 (E_RNA) where: Base-Base interactions energy: -1017.513 where: short stacking energy: -438.251 Base-Backbone interact. energy: -3.155 local terms energy: -485.387674 where: bonds (distance) C4'-P energy: -104.777 bonds (distance) P-C4' energy: -84.038 flat angles C4'-P-C4' energy: -105.653 flat angles P-C4'-P energy: -71.062 tors. eta vs tors. theta energy: -119.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1395.674925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.674925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.674925 (E_RNA) where: Base-Base interactions energy: -898.384 where: short stacking energy: -414.786 Base-Backbone interact. energy: -0.711 local terms energy: -496.580158 where: bonds (distance) C4'-P energy: -93.499 bonds (distance) P-C4' energy: -105.726 flat angles C4'-P-C4' energy: -115.869 flat angles P-C4'-P energy: -63.984 tors. eta vs tors. theta energy: -117.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1352.154696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.154696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.154696 (E_RNA) where: Base-Base interactions energy: -876.867 where: short stacking energy: -378.510 Base-Backbone interact. energy: -2.470 local terms energy: -472.817402 where: bonds (distance) C4'-P energy: -95.918 bonds (distance) P-C4' energy: -103.188 flat angles C4'-P-C4' energy: -103.564 flat angles P-C4'-P energy: -66.335 tors. eta vs tors. theta energy: -103.812 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: 368 Temperature: 1.200000 Total energy: -957.704015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.704015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.704015 (E_RNA) where: Base-Base interactions energy: -552.911 where: short stacking energy: -267.435 Base-Backbone interact. energy: 0.190 local terms energy: -404.983488 where: bonds (distance) C4'-P energy: -98.214 bonds (distance) P-C4' energy: -104.840 flat angles C4'-P-C4' energy: -92.156 flat angles P-C4'-P energy: -60.340 tors. eta vs tors. theta energy: -49.435 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: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -742.039102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.039102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.039102 (E_RNA) where: Base-Base interactions energy: -399.295 where: short stacking energy: -206.251 Base-Backbone interact. energy: -0.077 local terms energy: -342.666217 where: bonds (distance) C4'-P energy: -96.950 bonds (distance) P-C4' energy: -106.302 flat angles C4'-P-C4' energy: -88.210 flat angles P-C4'-P energy: -47.700 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -467.141559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.141559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.141559 (E_RNA) where: Base-Base interactions energy: -153.070 where: short stacking energy: -127.125 Base-Backbone interact. energy: 3.124 local terms energy: -317.195049 where: bonds (distance) C4'-P energy: -90.513 bonds (distance) P-C4' energy: -108.575 flat angles C4'-P-C4' energy: -75.723 flat angles P-C4'-P energy: -52.382 tors. eta vs tors. theta energy: 9.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -402.823793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.823793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.823793 (E_RNA) where: Base-Base interactions energy: -124.922 where: short stacking energy: -107.720 Base-Backbone interact. energy: -0.109 local terms energy: -277.792971 where: bonds (distance) C4'-P energy: -84.674 bonds (distance) P-C4' energy: -94.932 flat angles C4'-P-C4' energy: -88.782 flat angles P-C4'-P energy: -33.082 tors. eta vs tors. theta energy: 23.678 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: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1906.256658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.256658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.256658 (E_RNA) where: Base-Base interactions energy: -1301.457 where: short stacking energy: -555.386 Base-Backbone interact. energy: -3.076 local terms energy: -601.722783 where: bonds (distance) C4'-P energy: -112.752 bonds (distance) P-C4' energy: -100.726 flat angles C4'-P-C4' energy: -135.438 flat angles P-C4'-P energy: -88.785 tors. eta vs tors. theta energy: -164.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1758.318413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.318413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.318413 (E_RNA) where: Base-Base interactions energy: -1241.731 where: short stacking energy: -508.243 Base-Backbone interact. energy: 3.064 local terms energy: -519.650921 where: bonds (distance) C4'-P energy: -95.684 bonds (distance) P-C4' energy: -94.013 flat angles C4'-P-C4' energy: -109.268 flat angles P-C4'-P energy: -79.398 tors. eta vs tors. theta energy: -141.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1645.577093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.577093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.577093 (E_RNA) where: Base-Base interactions energy: -1120.200 where: short stacking energy: -482.007 Base-Backbone interact. energy: -2.274 local terms energy: -523.103291 where: bonds (distance) C4'-P energy: -88.589 bonds (distance) P-C4' energy: -104.945 flat angles C4'-P-C4' energy: -107.828 flat angles P-C4'-P energy: -75.100 tors. eta vs tors. theta energy: -146.642 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: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1486.647003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.647003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.647003 (E_RNA) where: Base-Base interactions energy: -972.022 where: short stacking energy: -423.123 Base-Backbone interact. energy: -2.485 local terms energy: -512.139278 where: bonds (distance) C4'-P energy: -109.063 bonds (distance) P-C4' energy: -87.908 flat angles C4'-P-C4' energy: -114.161 flat angles P-C4'-P energy: -85.731 tors. eta vs tors. theta energy: -115.277 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: 8 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1389.634849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.634849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.634849 (E_RNA) where: Base-Base interactions energy: -890.230 where: short stacking energy: -420.002 Base-Backbone interact. energy: -1.526 local terms energy: -497.878601 where: bonds (distance) C4'-P energy: -81.250 bonds (distance) P-C4' energy: -100.743 flat angles C4'-P-C4' energy: -113.035 flat angles P-C4'-P energy: -75.421 tors. eta vs tors. theta energy: -127.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1298.768127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.768127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.768127 (E_RNA) where: Base-Base interactions energy: -840.253 where: short stacking energy: -346.095 Base-Backbone interact. energy: -2.385 local terms energy: -456.130196 where: bonds (distance) C4'-P energy: -89.959 bonds (distance) P-C4' energy: -100.398 flat angles C4'-P-C4' energy: -103.966 flat angles P-C4'-P energy: -67.227 tors. eta vs tors. theta energy: -94.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -904.062409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.062409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.062409 (E_RNA) where: Base-Base interactions energy: -501.656 where: short stacking energy: -246.920 Base-Backbone interact. energy: 3.188 local terms energy: -405.593992 where: bonds (distance) C4'-P energy: -94.132 bonds (distance) P-C4' energy: -99.539 flat angles C4'-P-C4' energy: -106.314 flat angles P-C4'-P energy: -65.498 tors. eta vs tors. theta energy: -40.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -756.031235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.031235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.031235 (E_RNA) where: Base-Base interactions energy: -421.912 where: short stacking energy: -236.527 Base-Backbone interact. energy: 1.040 local terms energy: -335.159364 where: bonds (distance) C4'-P energy: -96.310 bonds (distance) P-C4' energy: -81.763 flat angles C4'-P-C4' energy: -80.161 flat angles P-C4'-P energy: -60.897 tors. eta vs tors. theta energy: -16.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -444.407135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.407135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.407135 (E_RNA) where: Base-Base interactions energy: -147.914 where: short stacking energy: -138.410 Base-Backbone interact. energy: 4.137 local terms energy: -300.630458 where: bonds (distance) C4'-P energy: -96.714 bonds (distance) P-C4' energy: -110.032 flat angles C4'-P-C4' energy: -73.885 flat angles P-C4'-P energy: -52.694 tors. eta vs tors. theta energy: 32.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -444.270542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.270542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.270542 (E_RNA) where: Base-Base interactions energy: -168.947 where: short stacking energy: -105.663 Base-Backbone interact. energy: -0.153 local terms energy: -275.169947 where: bonds (distance) C4'-P energy: -84.031 bonds (distance) P-C4' energy: -99.986 flat angles C4'-P-C4' energy: -69.439 flat angles P-C4'-P energy: -57.935 tors. eta vs tors. theta energy: 36.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1894.998568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.998568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.998568 (E_RNA) where: Base-Base interactions energy: -1280.757 where: short stacking energy: -529.511 Base-Backbone interact. energy: -3.710 local terms energy: -610.531620 where: bonds (distance) C4'-P energy: -122.887 bonds (distance) P-C4' energy: -103.234 flat angles C4'-P-C4' energy: -123.220 flat angles P-C4'-P energy: -88.438 tors. eta vs tors. theta energy: -172.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1795.031735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.031735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.031735 (E_RNA) where: Base-Base interactions energy: -1243.108 where: short stacking energy: -509.868 Base-Backbone interact. energy: 0.614 local terms energy: -552.537127 where: bonds (distance) C4'-P energy: -112.689 bonds (distance) P-C4' energy: -103.919 flat angles C4'-P-C4' energy: -113.916 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -156.178 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: 3, replica: 1 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1648.261064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.261064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.261064 (E_RNA) where: Base-Base interactions energy: -1098.691 where: short stacking energy: -462.477 Base-Backbone interact. energy: -0.091 local terms energy: -549.478387 where: bonds (distance) C4'-P energy: -97.220 bonds (distance) P-C4' energy: -108.501 flat angles C4'-P-C4' energy: -126.849 flat angles P-C4'-P energy: -68.755 tors. eta vs tors. theta energy: -148.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1468.179266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.179266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.179266 (E_RNA) where: Base-Base interactions energy: -945.857 where: short stacking energy: -381.198 Base-Backbone interact. energy: 1.419 local terms energy: -523.741255 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -124.050 flat angles C4'-P-C4' energy: -111.454 flat angles P-C4'-P energy: -80.742 tors. eta vs tors. theta energy: -110.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1422.131500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.131500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.131500 (E_RNA) where: Base-Base interactions energy: -904.056 where: short stacking energy: -414.074 Base-Backbone interact. energy: 0.824 local terms energy: -518.900270 where: bonds (distance) C4'-P energy: -101.431 bonds (distance) P-C4' energy: -110.355 flat angles C4'-P-C4' energy: -100.539 flat angles P-C4'-P energy: -84.706 tors. eta vs tors. theta energy: -121.870 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: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1353.494826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.494826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.494826 (E_RNA) where: Base-Base interactions energy: -867.654 where: short stacking energy: -364.812 Base-Backbone interact. energy: 1.459 local terms energy: -487.300590 where: bonds (distance) C4'-P energy: -105.340 bonds (distance) P-C4' energy: -102.569 flat angles C4'-P-C4' energy: -119.158 flat angles P-C4'-P energy: -63.809 tors. eta vs tors. theta energy: -96.425 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: 7, replica: 10 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -906.234418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.234418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.234418 (E_RNA) where: Base-Base interactions energy: -504.912 where: short stacking energy: -265.599 Base-Backbone interact. energy: 0.131 local terms energy: -401.453148 where: bonds (distance) C4'-P energy: -106.363 bonds (distance) P-C4' energy: -97.046 flat angles C4'-P-C4' energy: -86.895 flat angles P-C4'-P energy: -61.504 tors. eta vs tors. theta energy: -49.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -739.491219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.491219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.491219 (E_RNA) where: Base-Base interactions energy: -382.003 where: short stacking energy: -190.652 Base-Backbone interact. energy: 1.167 local terms energy: -358.654802 where: bonds (distance) C4'-P energy: -100.838 bonds (distance) P-C4' energy: -98.212 flat angles C4'-P-C4' energy: -104.987 flat angles P-C4'-P energy: -39.403 tors. eta vs tors. theta energy: -15.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -528.333024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.333024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.333024 (E_RNA) where: Base-Base interactions energy: -201.255 where: short stacking energy: -124.936 Base-Backbone interact. energy: 1.121 local terms energy: -328.199575 where: bonds (distance) C4'-P energy: -103.893 bonds (distance) P-C4' energy: -95.169 flat angles C4'-P-C4' energy: -79.829 flat angles P-C4'-P energy: -65.075 tors. eta vs tors. theta energy: 15.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -447.049069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.049069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.049069 (E_RNA) where: Base-Base interactions energy: -144.489 where: short stacking energy: -112.133 Base-Backbone interact. energy: 3.774 local terms energy: -306.334087 where: bonds (distance) C4'-P energy: -99.333 bonds (distance) P-C4' energy: -93.771 flat angles C4'-P-C4' energy: -88.752 flat angles P-C4'-P energy: -42.718 tors. eta vs tors. theta energy: 18.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1892.115443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.115443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.115443 (E_RNA) where: Base-Base interactions energy: -1296.277 where: short stacking energy: -545.387 Base-Backbone interact. energy: -2.364 local terms energy: -593.474286 where: bonds (distance) C4'-P energy: -103.397 bonds (distance) P-C4' energy: -117.489 flat angles C4'-P-C4' energy: -109.424 flat angles P-C4'-P energy: -93.754 tors. eta vs tors. theta energy: -169.409 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: 3 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1765.310219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.310219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.310219 (E_RNA) where: Base-Base interactions energy: -1223.600 where: short stacking energy: -487.020 Base-Backbone interact. energy: -2.852 local terms energy: -538.857945 where: bonds (distance) C4'-P energy: -109.930 bonds (distance) P-C4' energy: -100.303 flat angles C4'-P-C4' energy: -125.892 flat angles P-C4'-P energy: -63.327 tors. eta vs tors. theta energy: -139.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1731.583541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.583541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.583541 (E_RNA) where: Base-Base interactions energy: -1188.770 where: short stacking energy: -522.617 Base-Backbone interact. energy: -0.630 local terms energy: -542.183077 where: bonds (distance) C4'-P energy: -96.955 bonds (distance) P-C4' energy: -104.096 flat angles C4'-P-C4' energy: -113.546 flat angles P-C4'-P energy: -78.520 tors. eta vs tors. theta energy: -149.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1521.648931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.648931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.648931 (E_RNA) where: Base-Base interactions energy: -1021.086 where: short stacking energy: -435.121 Base-Backbone interact. energy: -3.044 local terms energy: -497.518412 where: bonds (distance) C4'-P energy: -106.430 bonds (distance) P-C4' energy: -102.113 flat angles C4'-P-C4' energy: -106.646 flat angles P-C4'-P energy: -67.187 tors. eta vs tors. theta energy: -115.143 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: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1382.913317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.913317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.913317 (E_RNA) where: Base-Base interactions energy: -875.870 where: short stacking energy: -408.227 Base-Backbone interact. energy: -0.218 local terms energy: -506.825264 where: bonds (distance) C4'-P energy: -108.900 bonds (distance) P-C4' energy: -104.260 flat angles C4'-P-C4' energy: -107.295 flat angles P-C4'-P energy: -77.098 tors. eta vs tors. theta energy: -109.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1312.820799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.820799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.820799 (E_RNA) where: Base-Base interactions energy: -855.807 where: short stacking energy: -348.277 Base-Backbone interact. energy: -1.240 local terms energy: -455.773727 where: bonds (distance) C4'-P energy: -96.664 bonds (distance) P-C4' energy: -103.429 flat angles C4'-P-C4' energy: -90.244 flat angles P-C4'-P energy: -74.749 tors. eta vs tors. theta energy: -90.688 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: 10 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -959.825678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.825678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.825678 (E_RNA) where: Base-Base interactions energy: -558.258 where: short stacking energy: -276.511 Base-Backbone interact. energy: 0.422 local terms energy: -401.989258 where: bonds (distance) C4'-P energy: -101.759 bonds (distance) P-C4' energy: -99.532 flat angles C4'-P-C4' energy: -91.488 flat angles P-C4'-P energy: -61.141 tors. eta vs tors. theta energy: -48.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -766.284860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.284860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.284860 (E_RNA) where: Base-Base interactions energy: -395.942 where: short stacking energy: -188.476 Base-Backbone interact. energy: -1.775 local terms energy: -368.567600 where: bonds (distance) C4'-P energy: -97.869 bonds (distance) P-C4' energy: -92.753 flat angles C4'-P-C4' energy: -91.333 flat angles P-C4'-P energy: -62.284 tors. eta vs tors. theta energy: -24.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -523.416530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.416530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.416530 (E_RNA) where: Base-Base interactions energy: -232.027 where: short stacking energy: -155.006 Base-Backbone interact. energy: -1.542 local terms energy: -289.847382 where: bonds (distance) C4'-P energy: -80.310 bonds (distance) P-C4' energy: -94.574 flat angles C4'-P-C4' energy: -81.826 flat angles P-C4'-P energy: -30.926 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -445.840058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.840058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.840058 (E_RNA) where: Base-Base interactions energy: -140.290 where: short stacking energy: -119.547 Base-Backbone interact. energy: 1.162 local terms energy: -306.712505 where: bonds (distance) C4'-P energy: -90.698 bonds (distance) P-C4' energy: -104.132 flat angles C4'-P-C4' energy: -62.708 flat angles P-C4'-P energy: -52.922 tors. eta vs tors. theta energy: 3.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1902.719666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.719666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.719666 (E_RNA) where: Base-Base interactions energy: -1302.762 where: short stacking energy: -568.907 Base-Backbone interact. energy: 0.752 local terms energy: -600.710014 where: bonds (distance) C4'-P energy: -112.182 bonds (distance) P-C4' energy: -106.364 flat angles C4'-P-C4' energy: -128.010 flat angles P-C4'-P energy: -80.198 tors. eta vs tors. theta energy: -173.957 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: 2, replica: 3 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1801.701356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.701356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.701356 (E_RNA) where: Base-Base interactions energy: -1225.925 where: short stacking energy: -494.929 Base-Backbone interact. energy: -1.323 local terms energy: -574.453527 where: bonds (distance) C4'-P energy: -110.843 bonds (distance) P-C4' energy: -109.848 flat angles C4'-P-C4' energy: -119.379 flat angles P-C4'-P energy: -81.101 tors. eta vs tors. theta energy: -153.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1671.155045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.155045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.155045 (E_RNA) where: Base-Base interactions energy: -1127.409 where: short stacking energy: -483.535 Base-Backbone interact. energy: -0.807 local terms energy: -542.939138 where: bonds (distance) C4'-P energy: -107.872 bonds (distance) P-C4' energy: -97.227 flat angles C4'-P-C4' energy: -110.798 flat angles P-C4'-P energy: -75.231 tors. eta vs tors. theta energy: -151.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1478.001660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.001660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.001660 (E_RNA) where: Base-Base interactions energy: -970.814 where: short stacking energy: -407.290 Base-Backbone interact. energy: -2.482 local terms energy: -504.705648 where: bonds (distance) C4'-P energy: -109.603 bonds (distance) P-C4' energy: -110.191 flat angles C4'-P-C4' energy: -109.585 flat angles P-C4'-P energy: -75.481 tors. eta vs tors. theta energy: -99.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1438.745861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.745861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.745861 (E_RNA) where: Base-Base interactions energy: -918.874 where: short stacking energy: -407.209 Base-Backbone interact. energy: 1.044 local terms energy: -520.916494 where: bonds (distance) C4'-P energy: -97.346 bonds (distance) P-C4' energy: -120.847 flat angles C4'-P-C4' energy: -121.979 flat angles P-C4'-P energy: -73.609 tors. eta vs tors. theta energy: -107.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1337.250686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.250686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.250686 (E_RNA) where: Base-Base interactions energy: -850.513 where: short stacking energy: -366.065 Base-Backbone interact. energy: -3.227 local terms energy: -483.510210 where: bonds (distance) C4'-P energy: -99.686 bonds (distance) P-C4' energy: -98.057 flat angles C4'-P-C4' energy: -106.037 flat angles P-C4'-P energy: -73.159 tors. eta vs tors. theta energy: -106.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -922.852904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.852904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.852904 (E_RNA) where: Base-Base interactions energy: -508.007 where: short stacking energy: -243.132 Base-Backbone interact. energy: 4.031 local terms energy: -418.876946 where: bonds (distance) C4'-P energy: -99.512 bonds (distance) P-C4' energy: -100.431 flat angles C4'-P-C4' energy: -100.474 flat angles P-C4'-P energy: -64.212 tors. eta vs tors. theta energy: -54.248 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: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -801.907427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.907427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.907427 (E_RNA) where: Base-Base interactions energy: -446.526 where: short stacking energy: -217.164 Base-Backbone interact. energy: -1.336 local terms energy: -354.044966 where: bonds (distance) C4'-P energy: -88.667 bonds (distance) P-C4' energy: -104.946 flat angles C4'-P-C4' energy: -83.817 flat angles P-C4'-P energy: -45.856 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: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -448.846528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.846528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.846528 (E_RNA) where: Base-Base interactions energy: -150.204 where: short stacking energy: -105.763 Base-Backbone interact. energy: -1.648 local terms energy: -296.994238 where: bonds (distance) C4'-P energy: -81.103 bonds (distance) P-C4' energy: -92.829 flat angles C4'-P-C4' energy: -90.580 flat angles P-C4'-P energy: -38.929 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: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -423.679784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.679784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.679784 (E_RNA) where: Base-Base interactions energy: -154.065 where: short stacking energy: -113.798 Base-Backbone interact. energy: -2.003 local terms energy: -267.611114 where: bonds (distance) C4'-P energy: -90.462 bonds (distance) P-C4' energy: -83.062 flat angles C4'-P-C4' energy: -87.005 flat angles P-C4'-P energy: -40.760 tors. eta vs tors. theta energy: 33.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1887.401416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.401416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.401416 (E_RNA) where: Base-Base interactions energy: -1288.764 where: short stacking energy: -565.767 Base-Backbone interact. energy: -2.781 local terms energy: -595.856063 where: bonds (distance) C4'-P energy: -108.830 bonds (distance) P-C4' energy: -117.918 flat angles C4'-P-C4' energy: -116.718 flat angles P-C4'-P energy: -88.349 tors. eta vs tors. theta energy: -164.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1766.552008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.552008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.552008 (E_RNA) where: Base-Base interactions energy: -1183.434 where: short stacking energy: -509.313 Base-Backbone interact. energy: -0.613 local terms energy: -582.504860 where: bonds (distance) C4'-P energy: -116.596 bonds (distance) P-C4' energy: -117.027 flat angles C4'-P-C4' energy: -127.662 flat angles P-C4'-P energy: -76.353 tors. eta vs tors. theta energy: -144.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1706.816531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.816531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.816531 (E_RNA) where: Base-Base interactions energy: -1150.805 where: short stacking energy: -471.369 Base-Backbone interact. energy: -0.997 local terms energy: -555.014635 where: bonds (distance) C4'-P energy: -106.914 bonds (distance) P-C4' energy: -102.979 flat angles C4'-P-C4' energy: -106.624 flat angles P-C4'-P energy: -94.867 tors. eta vs tors. theta energy: -143.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1541.560998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.560998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.560998 (E_RNA) where: Base-Base interactions energy: -1043.846 where: short stacking energy: -455.377 Base-Backbone interact. energy: -0.193 local terms energy: -497.522494 where: bonds (distance) C4'-P energy: -87.513 bonds (distance) P-C4' energy: -88.068 flat angles C4'-P-C4' energy: -113.534 flat angles P-C4'-P energy: -78.930 tors. eta vs tors. theta energy: -129.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1453.977282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.977282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.977282 (E_RNA) where: Base-Base interactions energy: -966.288 where: short stacking energy: -414.831 Base-Backbone interact. energy: -2.440 local terms energy: -485.249094 where: bonds (distance) C4'-P energy: -112.038 bonds (distance) P-C4' energy: -95.033 flat angles C4'-P-C4' energy: -101.201 flat angles P-C4'-P energy: -60.217 tors. eta vs tors. theta energy: -116.761 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: 2 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1293.895779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.895779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.895779 (E_RNA) where: Base-Base interactions energy: -833.186 where: short stacking energy: -362.889 Base-Backbone interact. energy: -2.582 local terms energy: -458.127716 where: bonds (distance) C4'-P energy: -91.914 bonds (distance) P-C4' energy: -101.234 flat angles C4'-P-C4' energy: -106.491 flat angles P-C4'-P energy: -73.724 tors. eta vs tors. theta energy: -84.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -989.165727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.165727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.165727 (E_RNA) where: Base-Base interactions energy: -575.558 where: short stacking energy: -279.997 Base-Backbone interact. energy: 4.254 local terms energy: -417.861390 where: bonds (distance) C4'-P energy: -95.865 bonds (distance) P-C4' energy: -104.309 flat angles C4'-P-C4' energy: -95.152 flat angles P-C4'-P energy: -62.875 tors. eta vs tors. theta energy: -59.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -811.399846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.399846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.399846 (E_RNA) where: Base-Base interactions energy: -458.677 where: short stacking energy: -228.100 Base-Backbone interact. energy: 0.001 local terms energy: -352.723421 where: bonds (distance) C4'-P energy: -94.340 bonds (distance) P-C4' energy: -93.458 flat angles C4'-P-C4' energy: -78.011 flat angles P-C4'-P energy: -51.360 tors. eta vs tors. theta energy: -35.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -463.508920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.508920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.508920 (E_RNA) where: Base-Base interactions energy: -138.022 where: short stacking energy: -113.891 Base-Backbone interact. energy: -0.944 local terms energy: -324.543459 where: bonds (distance) C4'-P energy: -88.301 bonds (distance) P-C4' energy: -90.434 flat angles C4'-P-C4' energy: -104.615 flat angles P-C4'-P energy: -62.958 tors. eta vs tors. theta energy: 21.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -417.413446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.413446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.413446 (E_RNA) where: Base-Base interactions energy: -118.254 where: short stacking energy: -96.951 Base-Backbone interact. energy: 2.906 local terms energy: -302.065386 where: bonds (distance) C4'-P energy: -89.542 bonds (distance) P-C4' energy: -105.538 flat angles C4'-P-C4' energy: -94.841 flat angles P-C4'-P energy: -53.004 tors. eta vs tors. theta energy: 40.860 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: 374 Temperature: 0.900000 Total energy: -1911.171249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.171249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.171249 (E_RNA) where: Base-Base interactions energy: -1314.491 where: short stacking energy: -543.257 Base-Backbone interact. energy: -0.211 local terms energy: -596.469865 where: bonds (distance) C4'-P energy: -104.478 bonds (distance) P-C4' energy: -120.221 flat angles C4'-P-C4' energy: -123.018 flat angles P-C4'-P energy: -79.615 tors. eta vs tors. theta energy: -169.137 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: 3 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1801.488423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.488423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.488423 (E_RNA) where: Base-Base interactions energy: -1237.280 where: short stacking energy: -513.127 Base-Backbone interact. energy: 0.502 local terms energy: -564.710502 where: bonds (distance) C4'-P energy: -112.182 bonds (distance) P-C4' energy: -102.337 flat angles C4'-P-C4' energy: -116.045 flat angles P-C4'-P energy: -84.268 tors. eta vs tors. theta energy: -149.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1707.805478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.805478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.805478 (E_RNA) where: Base-Base interactions energy: -1138.555 where: short stacking energy: -465.190 Base-Backbone interact. energy: -4.036 local terms energy: -565.214152 where: bonds (distance) C4'-P energy: -106.718 bonds (distance) P-C4' energy: -107.604 flat angles C4'-P-C4' energy: -123.241 flat angles P-C4'-P energy: -77.660 tors. eta vs tors. theta energy: -149.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1566.721559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.721559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.721559 (E_RNA) where: Base-Base interactions energy: -1068.714 where: short stacking energy: -469.842 Base-Backbone interact. energy: -2.871 local terms energy: -495.136597 where: bonds (distance) C4'-P energy: -101.987 bonds (distance) P-C4' energy: -75.819 flat angles C4'-P-C4' energy: -117.359 flat angles P-C4'-P energy: -83.219 tors. eta vs tors. theta energy: -116.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1412.866454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.866454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.866454 (E_RNA) where: Base-Base interactions energy: -923.263 where: short stacking energy: -411.081 Base-Backbone interact. energy: 2.534 local terms energy: -492.137811 where: bonds (distance) C4'-P energy: -87.773 bonds (distance) P-C4' energy: -110.426 flat angles C4'-P-C4' energy: -105.704 flat angles P-C4'-P energy: -65.149 tors. eta vs tors. theta energy: -123.087 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: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1280.429279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.429279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.429279 (E_RNA) where: Base-Base interactions energy: -823.517 where: short stacking energy: -328.564 Base-Backbone interact. energy: 4.206 local terms energy: -461.117678 where: bonds (distance) C4'-P energy: -108.903 bonds (distance) P-C4' energy: -87.668 flat angles C4'-P-C4' energy: -105.670 flat angles P-C4'-P energy: -66.774 tors. eta vs tors. theta energy: -92.102 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: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -994.803424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.803424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.803424 (E_RNA) where: Base-Base interactions energy: -563.092 where: short stacking energy: -285.393 Base-Backbone interact. energy: 0.202 local terms energy: -431.913342 where: bonds (distance) C4'-P energy: -91.216 bonds (distance) P-C4' energy: -96.969 flat angles C4'-P-C4' energy: -112.559 flat angles P-C4'-P energy: -66.036 tors. eta vs tors. theta energy: -65.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -791.151055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.151055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.151055 (E_RNA) where: Base-Base interactions energy: -430.346 where: short stacking energy: -222.913 Base-Backbone interact. energy: 0.273 local terms energy: -361.078224 where: bonds (distance) C4'-P energy: -95.554 bonds (distance) P-C4' energy: -102.750 flat angles C4'-P-C4' energy: -87.491 flat angles P-C4'-P energy: -61.037 tors. eta vs tors. theta energy: -14.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -470.004738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.004738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.004738 (E_RNA) where: Base-Base interactions energy: -179.411 where: short stacking energy: -132.119 Base-Backbone interact. energy: -2.050 local terms energy: -288.543743 where: bonds (distance) C4'-P energy: -91.232 bonds (distance) P-C4' energy: -79.506 flat angles C4'-P-C4' energy: -92.490 flat angles P-C4'-P energy: -45.503 tors. eta vs tors. theta energy: 20.187 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: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -448.576245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.576245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.576245 (E_RNA) where: Base-Base interactions energy: -138.606 where: short stacking energy: -123.555 Base-Backbone interact. energy: -1.614 local terms energy: -308.356800 where: bonds (distance) C4'-P energy: -95.709 bonds (distance) P-C4' energy: -98.555 flat angles C4'-P-C4' energy: -68.111 flat angles P-C4'-P energy: -45.353 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1913.443957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.443957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.443957 (E_RNA) where: Base-Base interactions energy: -1299.923 where: short stacking energy: -543.721 Base-Backbone interact. energy: -2.275 local terms energy: -611.245721 where: bonds (distance) C4'-P energy: -115.416 bonds (distance) P-C4' energy: -115.615 flat angles C4'-P-C4' energy: -122.912 flat angles P-C4'-P energy: -87.780 tors. eta vs tors. theta energy: -169.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1797.051230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.051230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.051230 (E_RNA) where: Base-Base interactions energy: -1230.714 where: short stacking energy: -487.955 Base-Backbone interact. energy: -2.953 local terms energy: -563.384255 where: bonds (distance) C4'-P energy: -103.786 bonds (distance) P-C4' energy: -107.707 flat angles C4'-P-C4' energy: -119.912 flat angles P-C4'-P energy: -85.276 tors. eta vs tors. theta energy: -146.704 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: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1684.404493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.404493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.404493 (E_RNA) where: Base-Base interactions energy: -1128.992 where: short stacking energy: -483.113 Base-Backbone interact. energy: -0.097 local terms energy: -555.316117 where: bonds (distance) C4'-P energy: -111.197 bonds (distance) P-C4' energy: -103.311 flat angles C4'-P-C4' energy: -126.891 flat angles P-C4'-P energy: -73.663 tors. eta vs tors. theta energy: -140.254 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: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1538.650705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.650705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.650705 (E_RNA) where: Base-Base interactions energy: -1035.677 where: short stacking energy: -441.989 Base-Backbone interact. energy: -3.711 local terms energy: -499.262439 where: bonds (distance) C4'-P energy: -105.827 bonds (distance) P-C4' energy: -112.566 flat angles C4'-P-C4' energy: -97.392 flat angles P-C4'-P energy: -70.176 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: 5, replica: 8 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1385.389986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.389986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.389986 (E_RNA) where: Base-Base interactions energy: -881.206 where: short stacking energy: -399.529 Base-Backbone interact. energy: -1.382 local terms energy: -502.801527 where: bonds (distance) C4'-P energy: -90.623 bonds (distance) P-C4' energy: -106.880 flat angles C4'-P-C4' energy: -111.349 flat angles P-C4'-P energy: -87.504 tors. eta vs tors. theta energy: -106.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1288.247464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.247464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.247464 (E_RNA) where: Base-Base interactions energy: -853.446 where: short stacking energy: -351.635 Base-Backbone interact. energy: -2.824 local terms energy: -431.977174 where: bonds (distance) C4'-P energy: -76.741 bonds (distance) P-C4' energy: -115.144 flat angles C4'-P-C4' energy: -82.432 flat angles P-C4'-P energy: -74.791 tors. eta vs tors. theta energy: -82.870 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: 7, replica: 10 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -931.467711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.467711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.467711 (E_RNA) where: Base-Base interactions energy: -537.614 where: short stacking energy: -281.170 Base-Backbone interact. energy: 1.475 local terms energy: -395.329334 where: bonds (distance) C4'-P energy: -90.293 bonds (distance) P-C4' energy: -95.943 flat angles C4'-P-C4' energy: -85.646 flat angles P-C4'-P energy: -65.359 tors. eta vs tors. theta energy: -58.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -842.038087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.038087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.038087 (E_RNA) where: Base-Base interactions energy: -475.617 where: short stacking energy: -241.151 Base-Backbone interact. energy: 2.955 local terms energy: -369.376392 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -98.437 flat angles C4'-P-C4' energy: -94.787 flat angles P-C4'-P energy: -62.125 tors. eta vs tors. theta energy: -33.475 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: 9, replica: 4 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -457.074052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.074052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.074052 (E_RNA) where: Base-Base interactions energy: -177.782 where: short stacking energy: -129.863 Base-Backbone interact. energy: 2.132 local terms energy: -281.423765 where: bonds (distance) C4'-P energy: -94.170 bonds (distance) P-C4' energy: -90.076 flat angles C4'-P-C4' energy: -73.845 flat angles P-C4'-P energy: -43.646 tors. eta vs tors. theta energy: 20.313 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: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -415.126057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.126057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.126057 (E_RNA) where: Base-Base interactions energy: -122.433 where: short stacking energy: -104.694 Base-Backbone interact. energy: 0.738 local terms energy: -293.430932 where: bonds (distance) C4'-P energy: -91.680 bonds (distance) P-C4' energy: -92.017 flat angles C4'-P-C4' energy: -77.460 flat angles P-C4'-P energy: -57.972 tors. eta vs tors. theta energy: 25.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1897.773651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.773651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.773651 (E_RNA) where: Base-Base interactions energy: -1309.052 where: short stacking energy: -564.105 Base-Backbone interact. energy: -0.760 local terms energy: -587.961608 where: bonds (distance) C4'-P energy: -100.957 bonds (distance) P-C4' energy: -110.757 flat angles C4'-P-C4' energy: -120.040 flat angles P-C4'-P energy: -79.206 tors. eta vs tors. theta energy: -177.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1787.447612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.447612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.447612 (E_RNA) where: Base-Base interactions energy: -1221.874 where: short stacking energy: -504.817 Base-Backbone interact. energy: -1.287 local terms energy: -564.286625 where: bonds (distance) C4'-P energy: -105.680 bonds (distance) P-C4' energy: -105.669 flat angles C4'-P-C4' energy: -120.106 flat angles P-C4'-P energy: -74.916 tors. eta vs tors. theta energy: -157.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1675.091784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.091784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.091784 (E_RNA) where: Base-Base interactions energy: -1110.091 where: short stacking energy: -476.619 Base-Backbone interact. energy: -1.510 local terms energy: -563.490518 where: bonds (distance) C4'-P energy: -111.566 bonds (distance) P-C4' energy: -99.925 flat angles C4'-P-C4' energy: -120.210 flat angles P-C4'-P energy: -89.524 tors. eta vs tors. theta energy: -142.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1548.167408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.167408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.167408 (E_RNA) where: Base-Base interactions energy: -1040.000 where: short stacking energy: -451.727 Base-Backbone interact. energy: -4.531 local terms energy: -503.636383 where: bonds (distance) C4'-P energy: -102.315 bonds (distance) P-C4' energy: -100.534 flat angles C4'-P-C4' energy: -116.698 flat angles P-C4'-P energy: -78.036 tors. eta vs tors. theta energy: -106.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1407.457533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.457533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.457533 (E_RNA) where: Base-Base interactions energy: -893.978 where: short stacking energy: -406.613 Base-Backbone interact. energy: -1.800 local terms energy: -511.679763 where: bonds (distance) C4'-P energy: -96.015 bonds (distance) P-C4' energy: -108.313 flat angles C4'-P-C4' energy: -110.201 flat angles P-C4'-P energy: -77.186 tors. eta vs tors. theta energy: -119.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1281.615144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.615144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.615144 (E_RNA) where: Base-Base interactions energy: -826.934 where: short stacking energy: -336.417 Base-Backbone interact. energy: -3.659 local terms energy: -451.022890 where: bonds (distance) C4'-P energy: -93.259 bonds (distance) P-C4' energy: -105.209 flat angles C4'-P-C4' energy: -95.108 flat angles P-C4'-P energy: -69.621 tors. eta vs tors. theta energy: -87.826 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: 7, replica: 10 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -953.555605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.555605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.555605 (E_RNA) where: Base-Base interactions energy: -540.259 where: short stacking energy: -256.397 Base-Backbone interact. energy: 0.358 local terms energy: -413.654643 where: bonds (distance) C4'-P energy: -114.381 bonds (distance) P-C4' energy: -93.484 flat angles C4'-P-C4' energy: -103.846 flat angles P-C4'-P energy: -52.093 tors. eta vs tors. theta energy: -49.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -763.648856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.648856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.648856 (E_RNA) where: Base-Base interactions energy: -415.068 where: short stacking energy: -222.529 Base-Backbone interact. energy: -5.108 local terms energy: -343.473590 where: bonds (distance) C4'-P energy: -82.140 bonds (distance) P-C4' energy: -113.776 flat angles C4'-P-C4' energy: -89.827 flat angles P-C4'-P energy: -49.268 tors. eta vs tors. theta energy: -8.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -449.278671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.278671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.278671 (E_RNA) where: Base-Base interactions energy: -150.812 where: short stacking energy: -114.291 Base-Backbone interact. energy: -1.576 local terms energy: -296.890707 where: bonds (distance) C4'-P energy: -86.703 bonds (distance) P-C4' energy: -96.885 flat angles C4'-P-C4' energy: -86.125 flat angles P-C4'-P energy: -51.132 tors. eta vs tors. theta energy: 23.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -420.343508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.343508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.343508 (E_RNA) where: Base-Base interactions energy: -118.737 where: short stacking energy: -91.870 Base-Backbone interact. energy: 1.717 local terms energy: -303.323206 where: bonds (distance) C4'-P energy: -90.279 bonds (distance) P-C4' energy: -105.716 flat angles C4'-P-C4' energy: -80.510 flat angles P-C4'-P energy: -44.708 tors. eta vs tors. theta energy: 17.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1907.013641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.013641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.013641 (E_RNA) where: Base-Base interactions energy: -1305.493 where: short stacking energy: -533.980 Base-Backbone interact. energy: -2.135 local terms energy: -599.385630 where: bonds (distance) C4'-P energy: -98.782 bonds (distance) P-C4' energy: -112.567 flat angles C4'-P-C4' energy: -131.920 flat angles P-C4'-P energy: -87.000 tors. eta vs tors. theta energy: -169.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1780.577522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.577522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.577522 (E_RNA) where: Base-Base interactions energy: -1226.345 where: short stacking energy: -497.425 Base-Backbone interact. energy: 0.303 local terms energy: -554.535690 where: bonds (distance) C4'-P energy: -109.666 bonds (distance) P-C4' energy: -101.025 flat angles C4'-P-C4' energy: -115.141 flat angles P-C4'-P energy: -81.386 tors. eta vs tors. theta energy: -147.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1662.958818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.958818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.958818 (E_RNA) where: Base-Base interactions energy: -1131.410 where: short stacking energy: -483.344 Base-Backbone interact. energy: 4.298 local terms energy: -535.846118 where: bonds (distance) C4'-P energy: -92.246 bonds (distance) P-C4' energy: -103.712 flat angles C4'-P-C4' energy: -119.046 flat angles P-C4'-P energy: -82.301 tors. eta vs tors. theta energy: -138.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1540.977801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.977801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.977801 (E_RNA) where: Base-Base interactions energy: -1001.154 where: short stacking energy: -408.575 Base-Backbone interact. energy: -4.446 local terms energy: -535.378589 where: bonds (distance) C4'-P energy: -102.491 bonds (distance) P-C4' energy: -117.063 flat angles C4'-P-C4' energy: -117.405 flat angles P-C4'-P energy: -84.197 tors. eta vs tors. theta energy: -114.222 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: 8 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1341.103148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.103148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.103148 (E_RNA) where: Base-Base interactions energy: -862.602 where: short stacking energy: -384.876 Base-Backbone interact. energy: 1.174 local terms energy: -479.675718 where: bonds (distance) C4'-P energy: -100.716 bonds (distance) P-C4' energy: -100.637 flat angles C4'-P-C4' energy: -103.641 flat angles P-C4'-P energy: -61.792 tors. eta vs tors. theta energy: -112.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1240.212717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.212717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.212717 (E_RNA) where: Base-Base interactions energy: -806.482 where: short stacking energy: -357.214 Base-Backbone interact. energy: -1.387 local terms energy: -432.343588 where: bonds (distance) C4'-P energy: -91.340 bonds (distance) P-C4' energy: -109.942 flat angles C4'-P-C4' energy: -103.169 flat angles P-C4'-P energy: -59.387 tors. eta vs tors. theta energy: -68.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -901.369540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.369540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.369540 (E_RNA) where: Base-Base interactions energy: -540.146 where: short stacking energy: -258.007 Base-Backbone interact. energy: -1.068 local terms energy: -360.155614 where: bonds (distance) C4'-P energy: -87.467 bonds (distance) P-C4' energy: -91.745 flat angles C4'-P-C4' energy: -91.996 flat angles P-C4'-P energy: -46.250 tors. eta vs tors. theta energy: -42.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -772.213947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.213947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.213947 (E_RNA) where: Base-Base interactions energy: -399.495 where: short stacking energy: -204.771 Base-Backbone interact. energy: -1.578 local terms energy: -371.140106 where: bonds (distance) C4'-P energy: -102.236 bonds (distance) P-C4' energy: -100.878 flat angles C4'-P-C4' energy: -84.888 flat angles P-C4'-P energy: -70.770 tors. eta vs tors. theta energy: -12.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -480.090007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.090007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.090007 (E_RNA) where: Base-Base interactions energy: -186.466 where: short stacking energy: -119.347 Base-Backbone interact. energy: 5.018 local terms energy: -298.642831 where: bonds (distance) C4'-P energy: -83.601 bonds (distance) P-C4' energy: -100.857 flat angles C4'-P-C4' energy: -91.749 flat angles P-C4'-P energy: -43.502 tors. eta vs tors. theta energy: 21.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -482.079545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.079545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.079545 (E_RNA) where: Base-Base interactions energy: -183.882 where: short stacking energy: -127.847 Base-Backbone interact. energy: 1.512 local terms energy: -299.709271 where: bonds (distance) C4'-P energy: -100.553 bonds (distance) P-C4' energy: -94.398 flat angles C4'-P-C4' energy: -83.028 flat angles P-C4'-P energy: -36.837 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: 1, replica: 7 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1910.534185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.534185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.534185 (E_RNA) where: Base-Base interactions energy: -1306.748 where: short stacking energy: -535.419 Base-Backbone interact. energy: -1.210 local terms energy: -602.575706 where: bonds (distance) C4'-P energy: -102.398 bonds (distance) P-C4' energy: -113.289 flat angles C4'-P-C4' energy: -131.156 flat angles P-C4'-P energy: -88.614 tors. eta vs tors. theta energy: -167.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1798.828584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.828584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.828584 (E_RNA) where: Base-Base interactions energy: -1257.769 where: short stacking energy: -531.009 Base-Backbone interact. energy: -0.592 local terms energy: -540.467979 where: bonds (distance) C4'-P energy: -89.008 bonds (distance) P-C4' energy: -110.987 flat angles C4'-P-C4' energy: -111.389 flat angles P-C4'-P energy: -72.033 tors. eta vs tors. theta energy: -157.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1704.821706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.821706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.821706 (E_RNA) where: Base-Base interactions energy: -1136.850 where: short stacking energy: -505.247 Base-Backbone interact. energy: -4.094 local terms energy: -563.877299 where: bonds (distance) C4'-P energy: -102.463 bonds (distance) P-C4' energy: -105.943 flat angles C4'-P-C4' energy: -130.571 flat angles P-C4'-P energy: -78.199 tors. eta vs tors. theta energy: -146.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1545.550602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.550602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.550602 (E_RNA) where: Base-Base interactions energy: -1017.691 where: short stacking energy: -425.855 Base-Backbone interact. energy: -4.192 local terms energy: -523.668510 where: bonds (distance) C4'-P energy: -111.291 bonds (distance) P-C4' energy: -104.391 flat angles C4'-P-C4' energy: -116.932 flat angles P-C4'-P energy: -78.617 tors. eta vs tors. theta energy: -112.438 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: 8 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1350.990800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.990800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.990800 (E_RNA) where: Base-Base interactions energy: -862.901 where: short stacking energy: -446.953 Base-Backbone interact. energy: -1.142 local terms energy: -486.947150 where: bonds (distance) C4'-P energy: -98.690 bonds (distance) P-C4' energy: -103.212 flat angles C4'-P-C4' energy: -104.627 flat angles P-C4'-P energy: -71.676 tors. eta vs tors. theta energy: -108.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1191.412046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.412046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.412046 (E_RNA) where: Base-Base interactions energy: -766.624 where: short stacking energy: -344.662 Base-Backbone interact. energy: 0.046 local terms energy: -424.834802 where: bonds (distance) C4'-P energy: -94.551 bonds (distance) P-C4' energy: -84.086 flat angles C4'-P-C4' energy: -101.171 flat angles P-C4'-P energy: -58.694 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: 7, replica: 10 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -931.518929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.518929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.518929 (E_RNA) where: Base-Base interactions energy: -555.137 where: short stacking energy: -289.397 Base-Backbone interact. energy: -1.036 local terms energy: -375.345487 where: bonds (distance) C4'-P energy: -103.340 bonds (distance) P-C4' energy: -79.265 flat angles C4'-P-C4' energy: -89.361 flat angles P-C4'-P energy: -60.635 tors. eta vs tors. theta energy: -42.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -794.185157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.185157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.185157 (E_RNA) where: Base-Base interactions energy: -442.345 where: short stacking energy: -212.970 Base-Backbone interact. energy: 0.809 local terms energy: -352.648925 where: bonds (distance) C4'-P energy: -97.375 bonds (distance) P-C4' energy: -93.813 flat angles C4'-P-C4' energy: -83.253 flat angles P-C4'-P energy: -52.124 tors. eta vs tors. theta energy: -26.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -464.987220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.987220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.987220 (E_RNA) where: Base-Base interactions energy: -158.231 where: short stacking energy: -136.239 Base-Backbone interact. energy: -1.870 local terms energy: -304.885368 where: bonds (distance) C4'-P energy: -114.189 bonds (distance) P-C4' energy: -77.809 flat angles C4'-P-C4' energy: -82.769 flat angles P-C4'-P energy: -47.521 tors. eta vs tors. theta energy: 17.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -465.815230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.815230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.815230 (E_RNA) where: Base-Base interactions energy: -182.601 where: short stacking energy: -118.132 Base-Backbone interact. energy: 1.608 local terms energy: -284.822283 where: bonds (distance) C4'-P energy: -90.226 bonds (distance) P-C4' energy: -94.248 flat angles C4'-P-C4' energy: -69.846 flat angles P-C4'-P energy: -38.723 tors. eta vs tors. theta energy: 8.220 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: 379 Temperature: 0.900000 Total energy: -1919.448610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.448610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.448610 (E_RNA) where: Base-Base interactions energy: -1324.216 where: short stacking energy: -557.451 Base-Backbone interact. energy: -1.716 local terms energy: -593.516999 where: bonds (distance) C4'-P energy: -100.649 bonds (distance) P-C4' energy: -112.384 flat angles C4'-P-C4' energy: -129.440 flat angles P-C4'-P energy: -87.549 tors. eta vs tors. theta energy: -163.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1793.143451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.143451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.143451 (E_RNA) where: Base-Base interactions energy: -1235.528 where: short stacking energy: -500.663 Base-Backbone interact. energy: -3.182 local terms energy: -554.433927 where: bonds (distance) C4'-P energy: -106.988 bonds (distance) P-C4' energy: -107.402 flat angles C4'-P-C4' energy: -112.130 flat angles P-C4'-P energy: -72.620 tors. eta vs tors. theta energy: -155.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1669.507228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.507228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.507228 (E_RNA) where: Base-Base interactions energy: -1125.217 where: short stacking energy: -453.575 Base-Backbone interact. energy: 5.207 local terms energy: -549.497478 where: bonds (distance) C4'-P energy: -103.003 bonds (distance) P-C4' energy: -117.444 flat angles C4'-P-C4' energy: -126.906 flat angles P-C4'-P energy: -72.222 tors. eta vs tors. theta energy: -129.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1567.975531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.975531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.975531 (E_RNA) where: Base-Base interactions energy: -1042.811 where: short stacking energy: -441.505 Base-Backbone interact. energy: -4.278 local terms energy: -520.886781 where: bonds (distance) C4'-P energy: -116.737 bonds (distance) P-C4' energy: -106.652 flat angles C4'-P-C4' energy: -111.290 flat angles P-C4'-P energy: -63.827 tors. eta vs tors. theta energy: -122.382 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: 5, replica: 8 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1309.604010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.604010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.604010 (E_RNA) where: Base-Base interactions energy: -830.565 where: short stacking energy: -393.154 Base-Backbone interact. energy: -1.876 local terms energy: -477.162574 where: bonds (distance) C4'-P energy: -100.436 bonds (distance) P-C4' energy: -108.017 flat angles C4'-P-C4' energy: -103.161 flat angles P-C4'-P energy: -60.973 tors. eta vs tors. theta energy: -104.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1156.909190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.909190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.909190 (E_RNA) where: Base-Base interactions energy: -734.453 where: short stacking energy: -321.345 Base-Backbone interact. energy: -2.214 local terms energy: -420.243060 where: bonds (distance) C4'-P energy: -111.758 bonds (distance) P-C4' energy: -94.868 flat angles C4'-P-C4' energy: -99.705 flat angles P-C4'-P energy: -45.358 tors. eta vs tors. theta energy: -68.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -935.857838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.857838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.857838 (E_RNA) where: Base-Base interactions energy: -556.508 where: short stacking energy: -296.916 Base-Backbone interact. energy: 4.259 local terms energy: -383.608515 where: bonds (distance) C4'-P energy: -78.205 bonds (distance) P-C4' energy: -91.003 flat angles C4'-P-C4' energy: -87.959 flat angles P-C4'-P energy: -64.702 tors. eta vs tors. theta energy: -61.740 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: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -734.802819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.802819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.802819 (E_RNA) where: Base-Base interactions energy: -390.588 where: short stacking energy: -194.032 Base-Backbone interact. energy: -4.550 local terms energy: -339.665382 where: bonds (distance) C4'-P energy: -103.507 bonds (distance) P-C4' energy: -85.695 flat angles C4'-P-C4' energy: -88.876 flat angles P-C4'-P energy: -51.013 tors. eta vs tors. theta energy: -10.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -503.182174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.182174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.182174 (E_RNA) where: Base-Base interactions energy: -223.526 where: short stacking energy: -143.655 Base-Backbone interact. energy: 3.036 local terms energy: -282.692364 where: bonds (distance) C4'-P energy: -93.863 bonds (distance) P-C4' energy: -95.299 flat angles C4'-P-C4' energy: -58.644 flat angles P-C4'-P energy: -47.355 tors. eta vs tors. theta energy: 12.468 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: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -469.179140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.179140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.179140 (E_RNA) where: Base-Base interactions energy: -171.044 where: short stacking energy: -123.550 Base-Backbone interact. energy: -3.377 local terms energy: -294.758454 where: bonds (distance) C4'-P energy: -79.071 bonds (distance) P-C4' energy: -105.620 flat angles C4'-P-C4' energy: -90.209 flat angles P-C4'-P energy: -23.028 tors. eta vs tors. theta energy: 3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1916.514651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.514651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.514651 (E_RNA) where: Base-Base interactions energy: -1292.843 where: short stacking energy: -559.482 Base-Backbone interact. energy: -3.582 local terms energy: -620.089960 where: bonds (distance) C4'-P energy: -111.672 bonds (distance) P-C4' energy: -114.698 flat angles C4'-P-C4' energy: -134.671 flat angles P-C4'-P energy: -93.483 tors. eta vs tors. theta energy: -165.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1782.959451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.959451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.959451 (E_RNA) where: Base-Base interactions energy: -1216.371 where: short stacking energy: -490.887 Base-Backbone interact. energy: 4.589 local terms energy: -571.178259 where: bonds (distance) C4'-P energy: -109.021 bonds (distance) P-C4' energy: -108.488 flat angles C4'-P-C4' energy: -126.013 flat angles P-C4'-P energy: -77.781 tors. eta vs tors. theta energy: -149.874 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: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1647.839771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.839771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.839771 (E_RNA) where: Base-Base interactions energy: -1143.787 where: short stacking energy: -484.578 Base-Backbone interact. energy: 1.568 local terms energy: -505.620406 where: bonds (distance) C4'-P energy: -88.974 bonds (distance) P-C4' energy: -98.909 flat angles C4'-P-C4' energy: -120.649 flat angles P-C4'-P energy: -66.526 tors. eta vs tors. theta energy: -130.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1547.213830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.213830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.213830 (E_RNA) where: Base-Base interactions energy: -1042.597 where: short stacking energy: -421.403 Base-Backbone interact. energy: -4.556 local terms energy: -500.061507 where: bonds (distance) C4'-P energy: -101.098 bonds (distance) P-C4' energy: -102.750 flat angles C4'-P-C4' energy: -119.219 flat angles P-C4'-P energy: -70.333 tors. eta vs tors. theta energy: -106.661 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: 8 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1322.153259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.153259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.153259 (E_RNA) where: Base-Base interactions energy: -845.197 where: short stacking energy: -421.311 Base-Backbone interact. energy: -0.891 local terms energy: -476.065179 where: bonds (distance) C4'-P energy: -85.636 bonds (distance) P-C4' energy: -107.474 flat angles C4'-P-C4' energy: -105.911 flat angles P-C4'-P energy: -58.472 tors. eta vs tors. theta energy: -118.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1186.188673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.188673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.188673 (E_RNA) where: Base-Base interactions energy: -760.768 where: short stacking energy: -319.764 Base-Backbone interact. energy: 0.692 local terms energy: -426.112320 where: bonds (distance) C4'-P energy: -88.265 bonds (distance) P-C4' energy: -101.570 flat angles C4'-P-C4' energy: -109.209 flat angles P-C4'-P energy: -54.280 tors. eta vs tors. theta energy: -72.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -939.724146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.724146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.724146 (E_RNA) where: Base-Base interactions energy: -525.582 where: short stacking energy: -277.389 Base-Backbone interact. energy: -1.740 local terms energy: -412.402623 where: bonds (distance) C4'-P energy: -110.907 bonds (distance) P-C4' energy: -96.554 flat angles C4'-P-C4' energy: -103.996 flat angles P-C4'-P energy: -57.200 tors. eta vs tors. theta energy: -43.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -709.462175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.462175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.462175 (E_RNA) where: Base-Base interactions energy: -355.319 where: short stacking energy: -204.830 Base-Backbone interact. energy: -1.483 local terms energy: -352.659839 where: bonds (distance) C4'-P energy: -99.702 bonds (distance) P-C4' energy: -97.631 flat angles C4'-P-C4' energy: -85.005 flat angles P-C4'-P energy: -52.127 tors. eta vs tors. theta energy: -18.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -513.462834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.462834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.462834 (E_RNA) where: Base-Base interactions energy: -202.413 where: short stacking energy: -111.308 Base-Backbone interact. energy: 1.136 local terms energy: -312.186148 where: bonds (distance) C4'-P energy: -102.622 bonds (distance) P-C4' energy: -101.804 flat angles C4'-P-C4' energy: -83.462 flat angles P-C4'-P energy: -58.835 tors. eta vs tors. theta energy: 34.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -431.571037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.571037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.571037 (E_RNA) where: Base-Base interactions energy: -166.017 where: short stacking energy: -111.863 Base-Backbone interact. energy: 1.172 local terms energy: -266.725899 where: bonds (distance) C4'-P energy: -80.477 bonds (distance) P-C4' energy: -88.386 flat angles C4'-P-C4' energy: -84.184 flat angles P-C4'-P energy: -35.090 tors. eta vs tors. theta energy: 21.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1908.946689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.946689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.946689 (E_RNA) where: Base-Base interactions energy: -1321.819 where: short stacking energy: -549.301 Base-Backbone interact. energy: 0.893 local terms energy: -588.020171 where: bonds (distance) C4'-P energy: -113.652 bonds (distance) P-C4' energy: -104.299 flat angles C4'-P-C4' energy: -126.846 flat angles P-C4'-P energy: -79.811 tors. eta vs tors. theta energy: -163.411 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: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1787.594739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.594739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.594739 (E_RNA) where: Base-Base interactions energy: -1225.889 where: short stacking energy: -500.267 Base-Backbone interact. energy: -0.886 local terms energy: -560.819104 where: bonds (distance) C4'-P energy: -108.681 bonds (distance) P-C4' energy: -117.017 flat angles C4'-P-C4' energy: -119.858 flat angles P-C4'-P energy: -74.605 tors. eta vs tors. theta energy: -140.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1700.765526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.765526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.765526 (E_RNA) where: Base-Base interactions energy: -1139.591 where: short stacking energy: -488.544 Base-Backbone interact. energy: -2.194 local terms energy: -558.981142 where: bonds (distance) C4'-P energy: -102.534 bonds (distance) P-C4' energy: -104.325 flat angles C4'-P-C4' energy: -120.968 flat angles P-C4'-P energy: -83.129 tors. eta vs tors. theta energy: -148.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1557.789597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.789597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.789597 (E_RNA) where: Base-Base interactions energy: -1064.540 where: short stacking energy: -413.570 Base-Backbone interact. energy: -1.388 local terms energy: -491.861614 where: bonds (distance) C4'-P energy: -113.493 bonds (distance) P-C4' energy: -106.231 flat angles C4'-P-C4' energy: -104.495 flat angles P-C4'-P energy: -62.214 tors. eta vs tors. theta energy: -105.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1308.694018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.694018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.694018 (E_RNA) where: Base-Base interactions energy: -838.343 where: short stacking energy: -380.526 Base-Backbone interact. energy: 0.070 local terms energy: -470.420909 where: bonds (distance) C4'-P energy: -102.155 bonds (distance) P-C4' energy: -100.688 flat angles C4'-P-C4' energy: -107.177 flat angles P-C4'-P energy: -72.549 tors. eta vs tors. theta energy: -87.852 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: 2 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1215.422905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.422905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.422905 (E_RNA) where: Base-Base interactions energy: -757.197 where: short stacking energy: -330.538 Base-Backbone interact. energy: -1.338 local terms energy: -456.887542 where: bonds (distance) C4'-P energy: -94.863 bonds (distance) P-C4' energy: -108.571 flat angles C4'-P-C4' energy: -111.079 flat angles P-C4'-P energy: -60.304 tors. eta vs tors. theta energy: -82.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -908.602705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.602705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.602705 (E_RNA) where: Base-Base interactions energy: -541.896 where: short stacking energy: -248.232 Base-Backbone interact. energy: 1.169 local terms energy: -367.875651 where: bonds (distance) C4'-P energy: -90.073 bonds (distance) P-C4' energy: -105.349 flat angles C4'-P-C4' energy: -88.228 flat angles P-C4'-P energy: -48.367 tors. eta vs tors. theta energy: -35.858 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: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -759.435651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.435651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.435651 (E_RNA) where: Base-Base interactions energy: -409.814 where: short stacking energy: -211.535 Base-Backbone interact. energy: 4.576 local terms energy: -354.197863 where: bonds (distance) C4'-P energy: -93.089 bonds (distance) P-C4' energy: -105.814 flat angles C4'-P-C4' energy: -88.216 flat angles P-C4'-P energy: -39.473 tors. eta vs tors. theta energy: -27.607 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: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -481.504772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.504772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.504772 (E_RNA) where: Base-Base interactions energy: -162.554 where: short stacking energy: -129.376 Base-Backbone interact. energy: -1.445 local terms energy: -317.506311 where: bonds (distance) C4'-P energy: -82.894 bonds (distance) P-C4' energy: -101.357 flat angles C4'-P-C4' energy: -98.733 flat angles P-C4'-P energy: -42.496 tors. eta vs tors. theta energy: 7.974 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: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -426.024202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.024202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.024202 (E_RNA) where: Base-Base interactions energy: -139.274 where: short stacking energy: -113.917 Base-Backbone interact. energy: 0.575 local terms energy: -287.324772 where: bonds (distance) C4'-P energy: -97.953 bonds (distance) P-C4' energy: -99.190 flat angles C4'-P-C4' energy: -76.964 flat angles P-C4'-P energy: -37.415 tors. eta vs tors. theta energy: 24.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1925.061081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.061081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.061081 (E_RNA) where: Base-Base interactions energy: -1314.395 where: short stacking energy: -561.492 Base-Backbone interact. energy: 0.516 local terms energy: -611.182083 where: bonds (distance) C4'-P energy: -108.109 bonds (distance) P-C4' energy: -113.155 flat angles C4'-P-C4' energy: -131.105 flat angles P-C4'-P energy: -83.606 tors. eta vs tors. theta energy: -175.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1811.351882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.351882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.351882 (E_RNA) where: Base-Base interactions energy: -1273.263 where: short stacking energy: -516.782 Base-Backbone interact. energy: -0.704 local terms energy: -537.384767 where: bonds (distance) C4'-P energy: -96.465 bonds (distance) P-C4' energy: -97.960 flat angles C4'-P-C4' energy: -113.867 flat angles P-C4'-P energy: -71.714 tors. eta vs tors. theta energy: -157.380 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: 1 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1694.500070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.500070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.500070 (E_RNA) where: Base-Base interactions energy: -1139.086 where: short stacking energy: -497.518 Base-Backbone interact. energy: -3.491 local terms energy: -551.923355 where: bonds (distance) C4'-P energy: -102.848 bonds (distance) P-C4' energy: -105.505 flat angles C4'-P-C4' energy: -115.975 flat angles P-C4'-P energy: -79.087 tors. eta vs tors. theta energy: -148.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1586.782405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.782405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.782405 (E_RNA) where: Base-Base interactions energy: -1075.378 where: short stacking energy: -445.887 Base-Backbone interact. energy: -2.658 local terms energy: -508.746907 where: bonds (distance) C4'-P energy: -102.188 bonds (distance) P-C4' energy: -105.898 flat angles C4'-P-C4' energy: -100.112 flat angles P-C4'-P energy: -82.526 tors. eta vs tors. theta energy: -118.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1285.447924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.447924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.447924 (E_RNA) where: Base-Base interactions energy: -850.327 where: short stacking energy: -358.213 Base-Backbone interact. energy: 0.630 local terms energy: -435.750909 where: bonds (distance) C4'-P energy: -83.922 bonds (distance) P-C4' energy: -98.809 flat angles C4'-P-C4' energy: -98.559 flat angles P-C4'-P energy: -62.414 tors. eta vs tors. theta energy: -92.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1251.183787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.183787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.183787 (E_RNA) where: Base-Base interactions energy: -790.733 where: short stacking energy: -335.824 Base-Backbone interact. energy: -3.931 local terms energy: -456.519867 where: bonds (distance) C4'-P energy: -90.702 bonds (distance) P-C4' energy: -107.607 flat angles C4'-P-C4' energy: -110.448 flat angles P-C4'-P energy: -73.876 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: 10 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -912.271183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.271183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.271183 (E_RNA) where: Base-Base interactions energy: -512.005 where: short stacking energy: -238.078 Base-Backbone interact. energy: -1.596 local terms energy: -398.669567 where: bonds (distance) C4'-P energy: -88.587 bonds (distance) P-C4' energy: -112.105 flat angles C4'-P-C4' energy: -105.723 flat angles P-C4'-P energy: -61.054 tors. eta vs tors. theta energy: -31.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -813.084179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.084179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.084179 (E_RNA) where: Base-Base interactions energy: -453.727 where: short stacking energy: -228.880 Base-Backbone interact. energy: -1.506 local terms energy: -357.850967 where: bonds (distance) C4'-P energy: -84.658 bonds (distance) P-C4' energy: -94.446 flat angles C4'-P-C4' energy: -93.746 flat angles P-C4'-P energy: -47.028 tors. eta vs tors. theta energy: -37.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -453.919557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.919557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.919557 (E_RNA) where: Base-Base interactions energy: -138.129 where: short stacking energy: -112.411 Base-Backbone interact. energy: -0.527 local terms energy: -315.263934 where: bonds (distance) C4'-P energy: -86.074 bonds (distance) P-C4' energy: -95.135 flat angles C4'-P-C4' energy: -76.250 flat angles P-C4'-P energy: -63.881 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: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -412.378152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.378152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.378152 (E_RNA) where: Base-Base interactions energy: -121.757 where: short stacking energy: -114.002 Base-Backbone interact. energy: -1.043 local terms energy: -289.578454 where: bonds (distance) C4'-P energy: -99.427 bonds (distance) P-C4' energy: -107.158 flat angles C4'-P-C4' energy: -71.316 flat angles P-C4'-P energy: -32.839 tors. eta vs tors. theta energy: 21.160 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: 7 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1919.295187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.295187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.295187 (E_RNA) where: Base-Base interactions energy: -1313.953 where: short stacking energy: -548.258 Base-Backbone interact. energy: -2.375 local terms energy: -602.967841 where: bonds (distance) C4'-P energy: -109.002 bonds (distance) P-C4' energy: -111.605 flat angles C4'-P-C4' energy: -128.807 flat angles P-C4'-P energy: -85.901 tors. eta vs tors. theta energy: -167.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1813.744086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.744086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.744086 (E_RNA) where: Base-Base interactions energy: -1230.771 where: short stacking energy: -520.071 Base-Backbone interact. energy: -1.717 local terms energy: -581.256405 where: bonds (distance) C4'-P energy: -104.311 bonds (distance) P-C4' energy: -113.884 flat angles C4'-P-C4' energy: -122.295 flat angles P-C4'-P energy: -87.707 tors. eta vs tors. theta energy: -153.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1714.170231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.170231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.170231 (E_RNA) where: Base-Base interactions energy: -1165.418 where: short stacking energy: -505.343 Base-Backbone interact. energy: -1.722 local terms energy: -547.030224 where: bonds (distance) C4'-P energy: -95.962 bonds (distance) P-C4' energy: -107.004 flat angles C4'-P-C4' energy: -124.009 flat angles P-C4'-P energy: -73.730 tors. eta vs tors. theta energy: -146.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1561.145936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.145936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.145936 (E_RNA) where: Base-Base interactions energy: -1060.862 where: short stacking energy: -437.068 Base-Backbone interact. energy: 0.860 local terms energy: -501.143254 where: bonds (distance) C4'-P energy: -78.469 bonds (distance) P-C4' energy: -111.072 flat angles C4'-P-C4' energy: -116.839 flat angles P-C4'-P energy: -82.926 tors. eta vs tors. theta energy: -111.838 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: 383 Temperature: 1.100000 Total energy: -1284.793966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.793966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.793966 (E_RNA) where: Base-Base interactions energy: -831.874 where: short stacking energy: -345.986 Base-Backbone interact. energy: -1.541 local terms energy: -451.379531 where: bonds (distance) C4'-P energy: -90.817 bonds (distance) P-C4' energy: -113.789 flat angles C4'-P-C4' energy: -115.984 flat angles P-C4'-P energy: -53.645 tors. eta vs tors. theta energy: -77.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1263.801075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.801075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.801075 (E_RNA) where: Base-Base interactions energy: -799.780 where: short stacking energy: -338.180 Base-Backbone interact. energy: -2.350 local terms energy: -461.671098 where: bonds (distance) C4'-P energy: -104.006 bonds (distance) P-C4' energy: -96.206 flat angles C4'-P-C4' energy: -101.157 flat angles P-C4'-P energy: -60.536 tors. eta vs tors. theta energy: -99.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -910.565533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.565533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.565533 (E_RNA) where: Base-Base interactions energy: -513.623 where: short stacking energy: -270.938 Base-Backbone interact. energy: 0.936 local terms energy: -397.878820 where: bonds (distance) C4'-P energy: -91.076 bonds (distance) P-C4' energy: -115.790 flat angles C4'-P-C4' energy: -73.124 flat angles P-C4'-P energy: -76.719 tors. eta vs tors. theta energy: -41.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -783.505713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.505713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.505713 (E_RNA) where: Base-Base interactions energy: -442.318 where: short stacking energy: -241.816 Base-Backbone interact. energy: -1.230 local terms energy: -339.958010 where: bonds (distance) C4'-P energy: -57.358 bonds (distance) P-C4' energy: -88.594 flat angles C4'-P-C4' energy: -94.436 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: -40.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -475.541481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.541481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.541481 (E_RNA) where: Base-Base interactions energy: -182.958 where: short stacking energy: -141.438 Base-Backbone interact. energy: -1.415 local terms energy: -291.168526 where: bonds (distance) C4'-P energy: -68.406 bonds (distance) P-C4' energy: -109.717 flat angles C4'-P-C4' energy: -83.760 flat angles P-C4'-P energy: -43.999 tors. eta vs tors. theta energy: 14.714 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: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -437.971069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.971069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.971069 (E_RNA) where: Base-Base interactions energy: -150.638 where: short stacking energy: -118.039 Base-Backbone interact. energy: 1.900 local terms energy: -289.233196 where: bonds (distance) C4'-P energy: -86.490 bonds (distance) P-C4' energy: -98.911 flat angles C4'-P-C4' energy: -68.769 flat angles P-C4'-P energy: -49.389 tors. eta vs tors. theta energy: 14.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1908.654890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.654890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.654890 (E_RNA) where: Base-Base interactions energy: -1317.103 where: short stacking energy: -551.448 Base-Backbone interact. energy: 1.424 local terms energy: -592.975992 where: bonds (distance) C4'-P energy: -99.721 bonds (distance) P-C4' energy: -115.075 flat angles C4'-P-C4' energy: -121.044 flat angles P-C4'-P energy: -88.217 tors. eta vs tors. theta energy: -168.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1787.106798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.106798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.106798 (E_RNA) where: Base-Base interactions energy: -1237.304 where: short stacking energy: -529.356 Base-Backbone interact. energy: -3.039 local terms energy: -546.763845 where: bonds (distance) C4'-P energy: -100.973 bonds (distance) P-C4' energy: -100.928 flat angles C4'-P-C4' energy: -120.886 flat angles P-C4'-P energy: -71.586 tors. eta vs tors. theta energy: -152.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1702.279623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.279623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.279623 (E_RNA) where: Base-Base interactions energy: -1151.534 where: short stacking energy: -499.258 Base-Backbone interact. energy: 0.536 local terms energy: -551.281603 where: bonds (distance) C4'-P energy: -108.720 bonds (distance) P-C4' energy: -111.541 flat angles C4'-P-C4' energy: -119.991 flat angles P-C4'-P energy: -75.681 tors. eta vs tors. theta energy: -135.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1535.377401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.377401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.377401 (E_RNA) where: Base-Base interactions energy: -1018.196 where: short stacking energy: -410.985 Base-Backbone interact. energy: -4.984 local terms energy: -512.196986 where: bonds (distance) C4'-P energy: -101.626 bonds (distance) P-C4' energy: -94.902 flat angles C4'-P-C4' energy: -121.372 flat angles P-C4'-P energy: -80.389 tors. eta vs tors. theta energy: -113.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1330.167070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.167070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.167070 (E_RNA) where: Base-Base interactions energy: -854.842 where: short stacking energy: -406.911 Base-Backbone interact. energy: -4.748 local terms energy: -470.577065 where: bonds (distance) C4'-P energy: -88.929 bonds (distance) P-C4' energy: -101.800 flat angles C4'-P-C4' energy: -112.048 flat angles P-C4'-P energy: -57.616 tors. eta vs tors. theta energy: -110.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1234.020033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.020033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.020033 (E_RNA) where: Base-Base interactions energy: -788.750 where: short stacking energy: -345.327 Base-Backbone interact. energy: -4.168 local terms energy: -441.101907 where: bonds (distance) C4'-P energy: -84.580 bonds (distance) P-C4' energy: -106.579 flat angles C4'-P-C4' energy: -97.335 flat angles P-C4'-P energy: -68.843 tors. eta vs tors. theta energy: -83.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -886.767632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.767632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.767632 (E_RNA) where: Base-Base interactions energy: -531.860 where: short stacking energy: -266.080 Base-Backbone interact. energy: -1.746 local terms energy: -353.161441 where: bonds (distance) C4'-P energy: -88.830 bonds (distance) P-C4' energy: -95.790 flat angles C4'-P-C4' energy: -90.841 flat angles P-C4'-P energy: -51.903 tors. eta vs tors. theta energy: -25.797 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: 5 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -812.481783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.481783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.481783 (E_RNA) where: Base-Base interactions energy: -442.033 where: short stacking energy: -214.105 Base-Backbone interact. energy: 4.693 local terms energy: -375.142237 where: bonds (distance) C4'-P energy: -85.334 bonds (distance) P-C4' energy: -104.353 flat angles C4'-P-C4' energy: -92.809 flat angles P-C4'-P energy: -55.300 tors. eta vs tors. theta energy: -37.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -449.622297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.622297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.622297 (E_RNA) where: Base-Base interactions energy: -162.748 where: short stacking energy: -110.918 Base-Backbone interact. energy: 3.563 local terms energy: -290.437094 where: bonds (distance) C4'-P energy: -90.636 bonds (distance) P-C4' energy: -102.768 flat angles C4'-P-C4' energy: -84.435 flat angles P-C4'-P energy: -40.249 tors. eta vs tors. theta energy: 27.650 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: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -439.805596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.805596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.805596 (E_RNA) where: Base-Base interactions energy: -154.801 where: short stacking energy: -115.621 Base-Backbone interact. energy: -2.700 local terms energy: -282.304874 where: bonds (distance) C4'-P energy: -83.599 bonds (distance) P-C4' energy: -90.356 flat angles C4'-P-C4' energy: -77.982 flat angles P-C4'-P energy: -49.699 tors. eta vs tors. theta energy: 19.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1915.269812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.269812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.269812 (E_RNA) where: Base-Base interactions energy: -1307.298 where: short stacking energy: -551.809 Base-Backbone interact. energy: -2.232 local terms energy: -605.739132 where: bonds (distance) C4'-P energy: -104.426 bonds (distance) P-C4' energy: -110.934 flat angles C4'-P-C4' energy: -124.246 flat angles P-C4'-P energy: -90.156 tors. eta vs tors. theta energy: -175.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1789.248482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.248482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.248482 (E_RNA) where: Base-Base interactions energy: -1231.014 where: short stacking energy: -494.201 Base-Backbone interact. energy: -0.872 local terms energy: -557.362360 where: bonds (distance) C4'-P energy: -116.234 bonds (distance) P-C4' energy: -108.322 flat angles C4'-P-C4' energy: -115.688 flat angles P-C4'-P energy: -64.944 tors. eta vs tors. theta energy: -152.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1666.146166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.146166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.146166 (E_RNA) where: Base-Base interactions energy: -1110.739 where: short stacking energy: -466.899 Base-Backbone interact. energy: -2.760 local terms energy: -552.647958 where: bonds (distance) C4'-P energy: -112.524 bonds (distance) P-C4' energy: -99.374 flat angles C4'-P-C4' energy: -126.578 flat angles P-C4'-P energy: -78.743 tors. eta vs tors. theta energy: -135.429 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: 385 Temperature: 1.050000 Total energy: -1497.552911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.552911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.552911 (E_RNA) where: Base-Base interactions energy: -1012.188 where: short stacking energy: -422.739 Base-Backbone interact. energy: 0.920 local terms energy: -486.284813 where: bonds (distance) C4'-P energy: -108.966 bonds (distance) P-C4' energy: -85.446 flat angles C4'-P-C4' energy: -102.478 flat angles P-C4'-P energy: -79.529 tors. eta vs tors. theta energy: -109.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1296.859243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.859243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.859243 (E_RNA) where: Base-Base interactions energy: -831.663 where: short stacking energy: -383.265 Base-Backbone interact. energy: -0.967 local terms energy: -464.229203 where: bonds (distance) C4'-P energy: -81.943 bonds (distance) P-C4' energy: -113.030 flat angles C4'-P-C4' energy: -109.303 flat angles P-C4'-P energy: -64.787 tors. eta vs tors. theta energy: -95.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1205.856606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.856606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.856606 (E_RNA) where: Base-Base interactions energy: -774.617 where: short stacking energy: -337.737 Base-Backbone interact. energy: -1.802 local terms energy: -429.437119 where: bonds (distance) C4'-P energy: -94.219 bonds (distance) P-C4' energy: -106.153 flat angles C4'-P-C4' energy: -85.295 flat angles P-C4'-P energy: -63.889 tors. eta vs tors. theta energy: -79.882 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: 385 Temperature: 1.200000 Total energy: -878.728839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.728839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.728839 (E_RNA) where: Base-Base interactions energy: -515.316 where: short stacking energy: -264.659 Base-Backbone interact. energy: 1.131 local terms energy: -364.544654 where: bonds (distance) C4'-P energy: -82.338 bonds (distance) P-C4' energy: -82.076 flat angles C4'-P-C4' energy: -90.385 flat angles P-C4'-P energy: -68.268 tors. eta vs tors. theta energy: -41.478 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: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -734.362082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.362082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.362082 (E_RNA) where: Base-Base interactions energy: -395.229 where: short stacking energy: -214.783 Base-Backbone interact. energy: -2.232 local terms energy: -336.900891 where: bonds (distance) C4'-P energy: -76.210 bonds (distance) P-C4' energy: -101.881 flat angles C4'-P-C4' energy: -76.839 flat angles P-C4'-P energy: -60.595 tors. eta vs tors. theta energy: -21.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -484.943867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.943867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.943867 (E_RNA) where: Base-Base interactions energy: -170.447 where: short stacking energy: -117.437 Base-Backbone interact. energy: 1.003 local terms energy: -315.499734 where: bonds (distance) C4'-P energy: -94.400 bonds (distance) P-C4' energy: -90.590 flat angles C4'-P-C4' energy: -89.815 flat angles P-C4'-P energy: -61.879 tors. eta vs tors. theta energy: 21.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -421.319546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.319546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.319546 (E_RNA) where: Base-Base interactions energy: -143.475 where: short stacking energy: -114.756 Base-Backbone interact. energy: -2.548 local terms energy: -275.296733 where: bonds (distance) C4'-P energy: -90.438 bonds (distance) P-C4' energy: -76.810 flat angles C4'-P-C4' energy: -69.513 flat angles P-C4'-P energy: -51.423 tors. eta vs tors. theta energy: 12.887 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: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1898.242845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.242845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.242845 (E_RNA) where: Base-Base interactions energy: -1325.329 where: short stacking energy: -555.451 Base-Backbone interact. energy: -1.463 local terms energy: -571.451455 where: bonds (distance) C4'-P energy: -101.203 bonds (distance) P-C4' energy: -115.665 flat angles C4'-P-C4' energy: -119.777 flat angles P-C4'-P energy: -74.026 tors. eta vs tors. theta energy: -160.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1760.216720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.216720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.216720 (E_RNA) where: Base-Base interactions energy: -1187.451 where: short stacking energy: -508.408 Base-Backbone interact. energy: -2.101 local terms energy: -570.664728 where: bonds (distance) C4'-P energy: -113.904 bonds (distance) P-C4' energy: -117.943 flat angles C4'-P-C4' energy: -117.384 flat angles P-C4'-P energy: -69.225 tors. eta vs tors. theta energy: -152.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1648.609955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.609955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.609955 (E_RNA) where: Base-Base interactions energy: -1116.927 where: short stacking energy: -476.845 Base-Backbone interact. energy: -2.147 local terms energy: -529.536541 where: bonds (distance) C4'-P energy: -107.091 bonds (distance) P-C4' energy: -103.675 flat angles C4'-P-C4' energy: -113.250 flat angles P-C4'-P energy: -67.199 tors. eta vs tors. theta energy: -138.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1532.127233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.127233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.127233 (E_RNA) where: Base-Base interactions energy: -1020.815 where: short stacking energy: -435.718 Base-Backbone interact. energy: 0.500 local terms energy: -511.812166 where: bonds (distance) C4'-P energy: -100.191 bonds (distance) P-C4' energy: -113.985 flat angles C4'-P-C4' energy: -115.146 flat angles P-C4'-P energy: -69.370 tors. eta vs tors. theta energy: -113.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1312.332012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.332012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.332012 (E_RNA) where: Base-Base interactions energy: -835.635 where: short stacking energy: -366.252 Base-Backbone interact. energy: 0.342 local terms energy: -477.039209 where: bonds (distance) C4'-P energy: -97.056 bonds (distance) P-C4' energy: -104.142 flat angles C4'-P-C4' energy: -115.584 flat angles P-C4'-P energy: -67.056 tors. eta vs tors. theta energy: -93.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1187.436837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.436837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.436837 (E_RNA) where: Base-Base interactions energy: -747.653 where: short stacking energy: -341.152 Base-Backbone interact. energy: 2.641 local terms energy: -442.424856 where: bonds (distance) C4'-P energy: -98.966 bonds (distance) P-C4' energy: -97.867 flat angles C4'-P-C4' energy: -83.387 flat angles P-C4'-P energy: -70.146 tors. eta vs tors. theta energy: -92.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -874.403617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.403617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.403617 (E_RNA) where: Base-Base interactions energy: -483.059 where: short stacking energy: -259.241 Base-Backbone interact. energy: -1.687 local terms energy: -389.658217 where: bonds (distance) C4'-P energy: -95.257 bonds (distance) P-C4' energy: -92.889 flat angles C4'-P-C4' energy: -97.273 flat angles P-C4'-P energy: -66.791 tors. eta vs tors. theta energy: -37.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -844.157130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.157130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.157130 (E_RNA) where: Base-Base interactions energy: -491.091 where: short stacking energy: -236.313 Base-Backbone interact. energy: -2.020 local terms energy: -351.047002 where: bonds (distance) C4'-P energy: -93.678 bonds (distance) P-C4' energy: -84.081 flat angles C4'-P-C4' energy: -96.467 flat angles P-C4'-P energy: -48.995 tors. eta vs tors. theta energy: -27.826 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: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -468.207777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.207777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.207777 (E_RNA) where: Base-Base interactions energy: -163.230 where: short stacking energy: -117.836 Base-Backbone interact. energy: 3.884 local terms energy: -308.861101 where: bonds (distance) C4'-P energy: -75.534 bonds (distance) P-C4' energy: -95.744 flat angles C4'-P-C4' energy: -79.345 flat angles P-C4'-P energy: -53.426 tors. eta vs tors. theta energy: -4.812 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: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -411.989941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.989941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.989941 (E_RNA) where: Base-Base interactions energy: -129.308 where: short stacking energy: -111.467 Base-Backbone interact. energy: -0.566 local terms energy: -282.115866 where: bonds (distance) C4'-P energy: -74.586 bonds (distance) P-C4' energy: -103.666 flat angles C4'-P-C4' energy: -71.877 flat angles P-C4'-P energy: -50.432 tors. eta vs tors. theta energy: 18.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1922.911938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.911938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.911938 (E_RNA) where: Base-Base interactions energy: -1328.167 where: short stacking energy: -557.887 Base-Backbone interact. energy: 0.157 local terms energy: -594.902516 where: bonds (distance) C4'-P energy: -113.764 bonds (distance) P-C4' energy: -113.795 flat angles C4'-P-C4' energy: -113.538 flat angles P-C4'-P energy: -89.925 tors. eta vs tors. theta energy: -163.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1778.281145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.281145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.281145 (E_RNA) where: Base-Base interactions energy: -1204.945 where: short stacking energy: -494.529 Base-Backbone interact. energy: 2.370 local terms energy: -575.706676 where: bonds (distance) C4'-P energy: -110.208 bonds (distance) P-C4' energy: -113.213 flat angles C4'-P-C4' energy: -121.698 flat angles P-C4'-P energy: -71.811 tors. eta vs tors. theta energy: -158.776 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: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1671.176801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.176801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.176801 (E_RNA) where: Base-Base interactions energy: -1126.354 where: short stacking energy: -491.418 Base-Backbone interact. energy: -2.619 local terms energy: -542.203820 where: bonds (distance) C4'-P energy: -93.170 bonds (distance) P-C4' energy: -115.152 flat angles C4'-P-C4' energy: -116.439 flat angles P-C4'-P energy: -79.023 tors. eta vs tors. theta energy: -138.420 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: 387 Temperature: 1.050000 Total energy: -1531.449321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.449321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.449321 (E_RNA) where: Base-Base interactions energy: -1004.708 where: short stacking energy: -404.140 Base-Backbone interact. energy: -1.757 local terms energy: -524.984607 where: bonds (distance) C4'-P energy: -99.384 bonds (distance) P-C4' energy: -120.992 flat angles C4'-P-C4' energy: -112.140 flat angles P-C4'-P energy: -79.008 tors. eta vs tors. theta energy: -113.461 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: 8 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1329.563471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.563471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.563471 (E_RNA) where: Base-Base interactions energy: -854.504 where: short stacking energy: -395.518 Base-Backbone interact. energy: 2.205 local terms energy: -477.264990 where: bonds (distance) C4'-P energy: -94.774 bonds (distance) P-C4' energy: -108.415 flat angles C4'-P-C4' energy: -107.787 flat angles P-C4'-P energy: -54.242 tors. eta vs tors. theta energy: -112.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1222.333896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.333896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.333896 (E_RNA) where: Base-Base interactions energy: -789.100 where: short stacking energy: -357.733 Base-Backbone interact. energy: -2.451 local terms energy: -430.782472 where: bonds (distance) C4'-P energy: -94.478 bonds (distance) P-C4' energy: -88.009 flat angles C4'-P-C4' energy: -97.627 flat angles P-C4'-P energy: -60.547 tors. eta vs tors. theta energy: -90.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -864.561965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.561965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.561965 (E_RNA) where: Base-Base interactions energy: -490.052 where: short stacking energy: -229.780 Base-Backbone interact. energy: 0.114 local terms energy: -374.623150 where: bonds (distance) C4'-P energy: -92.406 bonds (distance) P-C4' energy: -102.867 flat angles C4'-P-C4' energy: -79.967 flat angles P-C4'-P energy: -59.966 tors. eta vs tors. theta energy: -39.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -846.215392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.215392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.215392 (E_RNA) where: Base-Base interactions energy: -500.285 where: short stacking energy: -228.803 Base-Backbone interact. energy: 8.191 local terms energy: -354.121177 where: bonds (distance) C4'-P energy: -89.859 bonds (distance) P-C4' energy: -106.301 flat angles C4'-P-C4' energy: -80.683 flat angles P-C4'-P energy: -58.355 tors. eta vs tors. theta energy: -18.923 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: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -432.926491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.926491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.926491 (E_RNA) where: Base-Base interactions energy: -157.109 where: short stacking energy: -135.446 Base-Backbone interact. energy: -2.653 local terms energy: -273.164654 where: bonds (distance) C4'-P energy: -79.438 bonds (distance) P-C4' energy: -73.874 flat angles C4'-P-C4' energy: -71.795 flat angles P-C4'-P energy: -67.826 tors. eta vs tors. theta energy: 19.767 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: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -423.919718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.919718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.919718 (E_RNA) where: Base-Base interactions energy: -145.426 where: short stacking energy: -127.103 Base-Backbone interact. energy: -2.119 local terms energy: -276.375328 where: bonds (distance) C4'-P energy: -93.284 bonds (distance) P-C4' energy: -89.357 flat angles C4'-P-C4' energy: -73.285 flat angles P-C4'-P energy: -28.930 tors. eta vs tors. theta energy: 8.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1922.127149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.127149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.127149 (E_RNA) where: Base-Base interactions energy: -1343.963 where: short stacking energy: -570.185 Base-Backbone interact. energy: -0.851 local terms energy: -577.312534 where: bonds (distance) C4'-P energy: -94.138 bonds (distance) P-C4' energy: -115.977 flat angles C4'-P-C4' energy: -120.801 flat angles P-C4'-P energy: -78.029 tors. eta vs tors. theta energy: -168.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1764.225296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.225296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.225296 (E_RNA) where: Base-Base interactions energy: -1218.236 where: short stacking energy: -488.808 Base-Backbone interact. energy: -2.109 local terms energy: -543.880500 where: bonds (distance) C4'-P energy: -94.683 bonds (distance) P-C4' energy: -111.932 flat angles C4'-P-C4' energy: -113.106 flat angles P-C4'-P energy: -82.796 tors. eta vs tors. theta energy: -141.363 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: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1659.803921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.803921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.803921 (E_RNA) where: Base-Base interactions energy: -1147.299 where: short stacking energy: -500.184 Base-Backbone interact. energy: -2.592 local terms energy: -509.913664 where: bonds (distance) C4'-P energy: -100.060 bonds (distance) P-C4' energy: -88.369 flat angles C4'-P-C4' energy: -106.884 flat angles P-C4'-P energy: -73.602 tors. eta vs tors. theta energy: -140.998 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: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1528.895887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.895887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.895887 (E_RNA) where: Base-Base interactions energy: -1000.509 where: short stacking energy: -403.711 Base-Backbone interact. energy: -0.581 local terms energy: -527.805453 where: bonds (distance) C4'-P energy: -115.872 bonds (distance) P-C4' energy: -109.450 flat angles C4'-P-C4' energy: -110.542 flat angles P-C4'-P energy: -79.337 tors. eta vs tors. theta energy: -112.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1300.897579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.897579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.897579 (E_RNA) where: Base-Base interactions energy: -840.704 where: short stacking energy: -388.925 Base-Backbone interact. energy: 1.108 local terms energy: -461.301396 where: bonds (distance) C4'-P energy: -85.151 bonds (distance) P-C4' energy: -101.309 flat angles C4'-P-C4' energy: -95.076 flat angles P-C4'-P energy: -72.740 tors. eta vs tors. theta energy: -107.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1178.097478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.097478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.097478 (E_RNA) where: Base-Base interactions energy: -766.572 where: short stacking energy: -328.467 Base-Backbone interact. energy: -1.854 local terms energy: -409.671706 where: bonds (distance) C4'-P energy: -99.650 bonds (distance) P-C4' energy: -99.357 flat angles C4'-P-C4' energy: -76.905 flat angles P-C4'-P energy: -60.661 tors. eta vs tors. theta energy: -73.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -974.765910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.765910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.765910 (E_RNA) where: Base-Base interactions energy: -564.981 where: short stacking energy: -287.679 Base-Backbone interact. energy: -2.328 local terms energy: -407.457179 where: bonds (distance) C4'-P energy: -89.310 bonds (distance) P-C4' energy: -110.587 flat angles C4'-P-C4' energy: -93.427 flat angles P-C4'-P energy: -64.584 tors. eta vs tors. theta energy: -49.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -778.037756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.037756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.037756 (E_RNA) where: Base-Base interactions energy: -430.537 where: short stacking energy: -202.667 Base-Backbone interact. energy: -2.317 local terms energy: -345.183493 where: bonds (distance) C4'-P energy: -91.240 bonds (distance) P-C4' energy: -102.055 flat angles C4'-P-C4' energy: -85.368 flat angles P-C4'-P energy: -40.219 tors. eta vs tors. theta energy: -26.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -463.109779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.109779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.109779 (E_RNA) where: Base-Base interactions energy: -156.470 where: short stacking energy: -137.736 Base-Backbone interact. energy: 2.667 local terms energy: -309.305887 where: bonds (distance) C4'-P energy: -94.560 bonds (distance) P-C4' energy: -103.221 flat angles C4'-P-C4' energy: -76.956 flat angles P-C4'-P energy: -41.703 tors. eta vs tors. theta energy: 7.135 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: 388 Temperature: 1.350000 Total energy: -397.266108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.266108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.266108 (E_RNA) where: Base-Base interactions energy: -132.702 where: short stacking energy: -115.936 Base-Backbone interact. energy: -2.212 local terms energy: -262.352259 where: bonds (distance) C4'-P energy: -81.376 bonds (distance) P-C4' energy: -94.226 flat angles C4'-P-C4' energy: -65.668 flat angles P-C4'-P energy: -47.384 tors. eta vs tors. theta energy: 26.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1929.000493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.000493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.000493 (E_RNA) where: Base-Base interactions energy: -1313.646 where: short stacking energy: -547.055 Base-Backbone interact. energy: 0.438 local terms energy: -615.792884 where: bonds (distance) C4'-P energy: -115.447 bonds (distance) P-C4' energy: -114.957 flat angles C4'-P-C4' energy: -131.128 flat angles P-C4'-P energy: -85.357 tors. eta vs tors. theta energy: -168.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1811.917716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.917716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.917716 (E_RNA) where: Base-Base interactions energy: -1252.380 where: short stacking energy: -527.854 Base-Backbone interact. energy: -2.853 local terms energy: -556.684324 where: bonds (distance) C4'-P energy: -103.495 bonds (distance) P-C4' energy: -102.340 flat angles C4'-P-C4' energy: -122.715 flat angles P-C4'-P energy: -78.105 tors. eta vs tors. theta energy: -150.029 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: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1678.176063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.176063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.176063 (E_RNA) where: Base-Base interactions energy: -1137.134 where: short stacking energy: -472.740 Base-Backbone interact. energy: -2.713 local terms energy: -538.329247 where: bonds (distance) C4'-P energy: -106.233 bonds (distance) P-C4' energy: -103.854 flat angles C4'-P-C4' energy: -105.260 flat angles P-C4'-P energy: -74.515 tors. eta vs tors. theta energy: -148.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1537.424171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.424171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.424171 (E_RNA) where: Base-Base interactions energy: -1038.879 where: short stacking energy: -446.001 Base-Backbone interact. energy: -0.669 local terms energy: -497.876620 where: bonds (distance) C4'-P energy: -94.087 bonds (distance) P-C4' energy: -95.077 flat angles C4'-P-C4' energy: -103.336 flat angles P-C4'-P energy: -76.714 tors. eta vs tors. theta energy: -128.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1292.229740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.229740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.229740 (E_RNA) where: Base-Base interactions energy: -804.506 where: short stacking energy: -370.491 Base-Backbone interact. energy: -0.660 local terms energy: -487.063281 where: bonds (distance) C4'-P energy: -115.971 bonds (distance) P-C4' energy: -96.767 flat angles C4'-P-C4' energy: -110.543 flat angles P-C4'-P energy: -71.949 tors. eta vs tors. theta energy: -91.835 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: 2 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1206.980636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.980636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.980636 (E_RNA) where: Base-Base interactions energy: -764.360 where: short stacking energy: -332.401 Base-Backbone interact. energy: -1.395 local terms energy: -441.225941 where: bonds (distance) C4'-P energy: -85.301 bonds (distance) P-C4' energy: -99.003 flat angles C4'-P-C4' energy: -120.047 flat angles P-C4'-P energy: -63.483 tors. eta vs tors. theta energy: -73.392 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: 7, replica: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -966.286642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.286642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.286642 (E_RNA) where: Base-Base interactions energy: -569.139 where: short stacking energy: -266.358 Base-Backbone interact. energy: 0.868 local terms energy: -398.014770 where: bonds (distance) C4'-P energy: -95.529 bonds (distance) P-C4' energy: -98.186 flat angles C4'-P-C4' energy: -102.892 flat angles P-C4'-P energy: -54.785 tors. eta vs tors. theta energy: -46.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -808.073063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.073063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.073063 (E_RNA) where: Base-Base interactions energy: -476.846 where: short stacking energy: -210.442 Base-Backbone interact. energy: 4.018 local terms energy: -335.244921 where: bonds (distance) C4'-P energy: -90.030 bonds (distance) P-C4' energy: -98.611 flat angles C4'-P-C4' energy: -85.872 flat angles P-C4'-P energy: -50.324 tors. eta vs tors. theta energy: -10.407 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: 4 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -451.576111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.576111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.576111 (E_RNA) where: Base-Base interactions energy: -151.184 where: short stacking energy: -127.689 Base-Backbone interact. energy: 0.091 local terms energy: -300.483629 where: bonds (distance) C4'-P energy: -101.683 bonds (distance) P-C4' energy: -91.577 flat angles C4'-P-C4' energy: -81.906 flat angles P-C4'-P energy: -46.795 tors. eta vs tors. theta energy: 21.477 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: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -443.473072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.473072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.473072 (E_RNA) where: Base-Base interactions energy: -141.873 where: short stacking energy: -107.467 Base-Backbone interact. energy: 7.732 local terms energy: -309.331915 where: bonds (distance) C4'-P energy: -92.548 bonds (distance) P-C4' energy: -110.792 flat angles C4'-P-C4' energy: -77.434 flat angles P-C4'-P energy: -51.964 tors. eta vs tors. theta energy: 23.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1926.483212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.483212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.483212 (E_RNA) where: Base-Base interactions energy: -1312.319 where: short stacking energy: -549.623 Base-Backbone interact. energy: -1.331 local terms energy: -612.832538 where: bonds (distance) C4'-P energy: -114.419 bonds (distance) P-C4' energy: -116.663 flat angles C4'-P-C4' energy: -127.985 flat angles P-C4'-P energy: -84.051 tors. eta vs tors. theta energy: -169.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1818.325725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.325725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.325725 (E_RNA) where: Base-Base interactions energy: -1239.939 where: short stacking energy: -494.688 Base-Backbone interact. energy: -3.070 local terms energy: -575.316482 where: bonds (distance) C4'-P energy: -97.308 bonds (distance) P-C4' energy: -110.937 flat angles C4'-P-C4' energy: -120.516 flat angles P-C4'-P energy: -92.003 tors. eta vs tors. theta energy: -154.552 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: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1703.486674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.486674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.486674 (E_RNA) where: Base-Base interactions energy: -1169.088 where: short stacking energy: -490.547 Base-Backbone interact. energy: -0.415 local terms energy: -533.983074 where: bonds (distance) C4'-P energy: -108.568 bonds (distance) P-C4' energy: -105.494 flat angles C4'-P-C4' energy: -108.883 flat angles P-C4'-P energy: -67.728 tors. eta vs tors. theta energy: -143.311 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: 390 Temperature: 1.050000 Total energy: -1509.208207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.208207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.208207 (E_RNA) where: Base-Base interactions energy: -971.927 where: short stacking energy: -412.024 Base-Backbone interact. energy: -0.675 local terms energy: -536.605806 where: bonds (distance) C4'-P energy: -109.838 bonds (distance) P-C4' energy: -112.345 flat angles C4'-P-C4' energy: -112.172 flat angles P-C4'-P energy: -78.950 tors. eta vs tors. theta energy: -123.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1374.152425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.152425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.152425 (E_RNA) where: Base-Base interactions energy: -867.802 where: short stacking energy: -420.089 Base-Backbone interact. energy: -1.739 local terms energy: -504.611412 where: bonds (distance) C4'-P energy: -108.341 bonds (distance) P-C4' energy: -86.916 flat angles C4'-P-C4' energy: -114.457 flat angles P-C4'-P energy: -69.344 tors. eta vs tors. theta energy: -125.554 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: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1176.494083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.494083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.494083 (E_RNA) where: Base-Base interactions energy: -745.421 where: short stacking energy: -336.279 Base-Backbone interact. energy: -2.721 local terms energy: -428.351798 where: bonds (distance) C4'-P energy: -108.069 bonds (distance) P-C4' energy: -99.347 flat angles C4'-P-C4' energy: -93.689 flat angles P-C4'-P energy: -56.493 tors. eta vs tors. theta energy: -70.753 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: 10 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -943.458459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.458459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.458459 (E_RNA) where: Base-Base interactions energy: -583.248 where: short stacking energy: -272.220 Base-Backbone interact. energy: 0.646 local terms energy: -360.856061 where: bonds (distance) C4'-P energy: -76.995 bonds (distance) P-C4' energy: -89.564 flat angles C4'-P-C4' energy: -83.021 flat angles P-C4'-P energy: -61.795 tors. eta vs tors. theta energy: -49.481 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: 8, replica: 5 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -761.764516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.764516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.764516 (E_RNA) where: Base-Base interactions energy: -399.949 where: short stacking energy: -214.193 Base-Backbone interact. energy: -5.002 local terms energy: -356.813204 where: bonds (distance) C4'-P energy: -91.608 bonds (distance) P-C4' energy: -96.846 flat angles C4'-P-C4' energy: -87.470 flat angles P-C4'-P energy: -63.491 tors. eta vs tors. theta energy: -17.399 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: 390 Temperature: 1.300000 Total energy: -502.295924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.295924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.295924 (E_RNA) where: Base-Base interactions energy: -185.351 where: short stacking energy: -144.261 Base-Backbone interact. energy: -2.984 local terms energy: -313.960809 where: bonds (distance) C4'-P energy: -91.255 bonds (distance) P-C4' energy: -121.268 flat angles C4'-P-C4' energy: -74.482 flat angles P-C4'-P energy: -42.593 tors. eta vs tors. theta energy: 15.637 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: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -433.027634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.027634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.027634 (E_RNA) where: Base-Base interactions energy: -140.779 where: short stacking energy: -114.968 Base-Backbone interact. energy: 2.959 local terms energy: -295.207587 where: bonds (distance) C4'-P energy: -87.488 bonds (distance) P-C4' energy: -82.234 flat angles C4'-P-C4' energy: -77.847 flat angles P-C4'-P energy: -68.598 tors. eta vs tors. theta energy: 20.959 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: 7 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1914.564856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.564856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.564856 (E_RNA) where: Base-Base interactions energy: -1328.564 where: short stacking energy: -557.835 Base-Backbone interact. energy: -1.226 local terms energy: -584.775569 where: bonds (distance) C4'-P energy: -104.816 bonds (distance) P-C4' energy: -109.634 flat angles C4'-P-C4' energy: -118.064 flat angles P-C4'-P energy: -82.348 tors. eta vs tors. theta energy: -169.914 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: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1816.616127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.616127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.616127 (E_RNA) where: Base-Base interactions energy: -1245.906 where: short stacking energy: -515.957 Base-Backbone interact. energy: -3.088 local terms energy: -567.621765 where: bonds (distance) C4'-P energy: -108.282 bonds (distance) P-C4' energy: -110.924 flat angles C4'-P-C4' energy: -126.879 flat angles P-C4'-P energy: -72.966 tors. eta vs tors. theta energy: -148.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1686.768757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.768757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.768757 (E_RNA) where: Base-Base interactions energy: -1160.876 where: short stacking energy: -489.986 Base-Backbone interact. energy: -7.007 local terms energy: -518.885892 where: bonds (distance) C4'-P energy: -89.495 bonds (distance) P-C4' energy: -106.806 flat angles C4'-P-C4' energy: -115.511 flat angles P-C4'-P energy: -69.934 tors. eta vs tors. theta energy: -137.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1534.939148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.939148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.939148 (E_RNA) where: Base-Base interactions energy: -1025.964 where: short stacking energy: -448.227 Base-Backbone interact. energy: -1.560 local terms energy: -507.415045 where: bonds (distance) C4'-P energy: -84.228 bonds (distance) P-C4' energy: -93.488 flat angles C4'-P-C4' energy: -113.734 flat angles P-C4'-P energy: -92.637 tors. eta vs tors. theta energy: -123.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1407.723367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.723367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.723367 (E_RNA) where: Base-Base interactions energy: -892.916 where: short stacking energy: -437.411 Base-Backbone interact. energy: -0.611 local terms energy: -514.196688 where: bonds (distance) C4'-P energy: -99.969 bonds (distance) P-C4' energy: -99.954 flat angles C4'-P-C4' energy: -118.987 flat angles P-C4'-P energy: -67.560 tors. eta vs tors. theta energy: -127.726 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: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1157.544313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.544313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.544313 (E_RNA) where: Base-Base interactions energy: -738.887 where: short stacking energy: -316.305 Base-Backbone interact. energy: 2.041 local terms energy: -420.697784 where: bonds (distance) C4'-P energy: -102.436 bonds (distance) P-C4' energy: -98.017 flat angles C4'-P-C4' energy: -106.665 flat angles P-C4'-P energy: -43.188 tors. eta vs tors. theta energy: -70.392 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: 7, replica: 10 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -957.712189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.712189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.712189 (E_RNA) where: Base-Base interactions energy: -591.295 where: short stacking energy: -287.304 Base-Backbone interact. energy: -1.621 local terms energy: -364.795729 where: bonds (distance) C4'-P energy: -85.352 bonds (distance) P-C4' energy: -82.879 flat angles C4'-P-C4' energy: -97.238 flat angles P-C4'-P energy: -47.844 tors. eta vs tors. theta energy: -51.482 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: 5 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -740.174344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.174344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.174344 (E_RNA) where: Base-Base interactions energy: -404.722 where: short stacking energy: -206.033 Base-Backbone interact. energy: -1.339 local terms energy: -334.112668 where: bonds (distance) C4'-P energy: -103.902 bonds (distance) P-C4' energy: -95.633 flat angles C4'-P-C4' energy: -74.432 flat angles P-C4'-P energy: -48.589 tors. eta vs tors. theta energy: -11.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -543.631158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.631158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.631158 (E_RNA) where: Base-Base interactions energy: -225.875 where: short stacking energy: -148.630 Base-Backbone interact. energy: 4.562 local terms energy: -322.318302 where: bonds (distance) C4'-P energy: -82.239 bonds (distance) P-C4' energy: -111.196 flat angles C4'-P-C4' energy: -78.967 flat angles P-C4'-P energy: -51.293 tors. eta vs tors. theta energy: 1.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -445.586961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.586961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.586961 (E_RNA) where: Base-Base interactions energy: -161.058 where: short stacking energy: -153.425 Base-Backbone interact. energy: 0.752 local terms energy: -285.280445 where: bonds (distance) C4'-P energy: -65.975 bonds (distance) P-C4' energy: -100.802 flat angles C4'-P-C4' energy: -81.741 flat angles P-C4'-P energy: -38.141 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: 1, replica: 7 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1900.591112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.591112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.591112 (E_RNA) where: Base-Base interactions energy: -1300.230 where: short stacking energy: -562.518 Base-Backbone interact. energy: -1.552 local terms energy: -598.808966 where: bonds (distance) C4'-P energy: -108.910 bonds (distance) P-C4' energy: -104.940 flat angles C4'-P-C4' energy: -128.946 flat angles P-C4'-P energy: -85.739 tors. eta vs tors. theta energy: -170.274 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: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1854.162181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.162181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.162181 (E_RNA) where: Base-Base interactions energy: -1296.553 where: short stacking energy: -555.523 Base-Backbone interact. energy: -0.638 local terms energy: -556.970382 where: bonds (distance) C4'-P energy: -93.807 bonds (distance) P-C4' energy: -100.818 flat angles C4'-P-C4' energy: -119.467 flat angles P-C4'-P energy: -79.901 tors. eta vs tors. theta energy: -162.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1684.807667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.807667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.807667 (E_RNA) where: Base-Base interactions energy: -1142.447 where: short stacking energy: -476.146 Base-Backbone interact. energy: 1.456 local terms energy: -543.816902 where: bonds (distance) C4'-P energy: -107.735 bonds (distance) P-C4' energy: -97.321 flat angles C4'-P-C4' energy: -126.697 flat angles P-C4'-P energy: -74.086 tors. eta vs tors. theta energy: -137.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1578.827901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.827901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.827901 (E_RNA) where: Base-Base interactions energy: -1056.943 where: short stacking energy: -441.945 Base-Backbone interact. energy: -2.529 local terms energy: -519.355542 where: bonds (distance) C4'-P energy: -91.990 bonds (distance) P-C4' energy: -120.704 flat angles C4'-P-C4' energy: -111.958 flat angles P-C4'-P energy: -66.829 tors. eta vs tors. theta energy: -127.875 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: 8 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1363.810443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.810443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.810443 (E_RNA) where: Base-Base interactions energy: -871.756 where: short stacking energy: -413.069 Base-Backbone interact. energy: -1.430 local terms energy: -490.624583 where: bonds (distance) C4'-P energy: -89.762 bonds (distance) P-C4' energy: -99.127 flat angles C4'-P-C4' energy: -105.337 flat angles P-C4'-P energy: -78.746 tors. eta vs tors. theta energy: -117.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1190.456537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.456537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.456537 (E_RNA) where: Base-Base interactions energy: -761.113 where: short stacking energy: -343.637 Base-Backbone interact. energy: 4.662 local terms energy: -434.006297 where: bonds (distance) C4'-P energy: -84.167 bonds (distance) P-C4' energy: -90.406 flat angles C4'-P-C4' energy: -99.530 flat angles P-C4'-P energy: -72.859 tors. eta vs tors. theta energy: -87.044 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: 7, replica: 10 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -901.289675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.289675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.289675 (E_RNA) where: Base-Base interactions energy: -525.023 where: short stacking energy: -226.485 Base-Backbone interact. energy: -3.003 local terms energy: -373.263890 where: bonds (distance) C4'-P energy: -95.086 bonds (distance) P-C4' energy: -107.152 flat angles C4'-P-C4' energy: -93.373 flat angles P-C4'-P energy: -56.628 tors. eta vs tors. theta energy: -21.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -729.941079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.941079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.941079 (E_RNA) where: Base-Base interactions energy: -380.387 where: short stacking energy: -218.464 Base-Backbone interact. energy: -1.276 local terms energy: -348.278329 where: bonds (distance) C4'-P energy: -91.893 bonds (distance) P-C4' energy: -95.447 flat angles C4'-P-C4' energy: -94.008 flat angles P-C4'-P energy: -52.189 tors. eta vs tors. theta energy: -14.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -510.180675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.180675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.180675 (E_RNA) where: Base-Base interactions energy: -219.169 where: short stacking energy: -137.798 Base-Backbone interact. energy: -2.965 local terms energy: -288.046415 where: bonds (distance) C4'-P energy: -84.853 bonds (distance) P-C4' energy: -83.612 flat angles C4'-P-C4' energy: -71.687 flat angles P-C4'-P energy: -57.731 tors. eta vs tors. theta energy: 9.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -430.569845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.569845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.569845 (E_RNA) where: Base-Base interactions energy: -154.157 where: short stacking energy: -103.077 Base-Backbone interact. energy: 1.148 local terms energy: -277.561168 where: bonds (distance) C4'-P energy: -95.485 bonds (distance) P-C4' energy: -96.997 flat angles C4'-P-C4' energy: -62.767 flat angles P-C4'-P energy: -38.939 tors. eta vs tors. theta energy: 16.626 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: 393 Temperature: 0.900000 Total energy: -1914.478000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.478000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.478000 (E_RNA) where: Base-Base interactions energy: -1295.979 where: short stacking energy: -554.153 Base-Backbone interact. energy: -0.960 local terms energy: -617.539428 where: bonds (distance) C4'-P energy: -110.310 bonds (distance) P-C4' energy: -111.691 flat angles C4'-P-C4' energy: -131.037 flat angles P-C4'-P energy: -89.174 tors. eta vs tors. theta energy: -175.328 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: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1817.150834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.150834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.150834 (E_RNA) where: Base-Base interactions energy: -1277.279 where: short stacking energy: -534.816 Base-Backbone interact. energy: 1.564 local terms energy: -541.435567 where: bonds (distance) C4'-P energy: -106.680 bonds (distance) P-C4' energy: -85.671 flat angles C4'-P-C4' energy: -125.436 flat angles P-C4'-P energy: -70.278 tors. eta vs tors. theta energy: -153.371 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: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1647.480805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.480805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.480805 (E_RNA) where: Base-Base interactions energy: -1105.695 where: short stacking energy: -449.803 Base-Backbone interact. energy: 0.642 local terms energy: -542.428527 where: bonds (distance) C4'-P energy: -109.227 bonds (distance) P-C4' energy: -112.463 flat angles C4'-P-C4' energy: -113.631 flat angles P-C4'-P energy: -74.614 tors. eta vs tors. theta energy: -132.493 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: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1600.585622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.585622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.585622 (E_RNA) where: Base-Base interactions energy: -1066.698 where: short stacking energy: -450.165 Base-Backbone interact. energy: -1.095 local terms energy: -532.792641 where: bonds (distance) C4'-P energy: -104.320 bonds (distance) P-C4' energy: -112.701 flat angles C4'-P-C4' energy: -115.158 flat angles P-C4'-P energy: -73.719 tors. eta vs tors. theta energy: -126.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1394.375484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.375484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.375484 (E_RNA) where: Base-Base interactions energy: -927.763 where: short stacking energy: -421.854 Base-Backbone interact. energy: 0.297 local terms energy: -466.909313 where: bonds (distance) C4'-P energy: -102.959 bonds (distance) P-C4' energy: -90.609 flat angles C4'-P-C4' energy: -108.182 flat angles P-C4'-P energy: -58.131 tors. eta vs tors. theta energy: -107.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1186.803561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.803561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.803561 (E_RNA) where: Base-Base interactions energy: -753.886 where: short stacking energy: -339.048 Base-Backbone interact. energy: -3.429 local terms energy: -429.488451 where: bonds (distance) C4'-P energy: -91.115 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -89.677 flat angles P-C4'-P energy: -56.361 tors. eta vs tors. theta energy: -76.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -922.572553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.572553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.572553 (E_RNA) where: Base-Base interactions energy: -543.657 where: short stacking energy: -265.552 Base-Backbone interact. energy: -0.492 local terms energy: -378.423687 where: bonds (distance) C4'-P energy: -97.572 bonds (distance) P-C4' energy: -102.164 flat angles C4'-P-C4' energy: -93.832 flat angles P-C4'-P energy: -37.273 tors. eta vs tors. theta energy: -47.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -719.029477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.029477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.029477 (E_RNA) where: Base-Base interactions energy: -389.270 where: short stacking energy: -208.304 Base-Backbone interact. energy: 0.324 local terms energy: -330.083444 where: bonds (distance) C4'-P energy: -87.167 bonds (distance) P-C4' energy: -80.101 flat angles C4'-P-C4' energy: -103.613 flat angles P-C4'-P energy: -51.127 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: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -491.232961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.232961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.232961 (E_RNA) where: Base-Base interactions energy: -214.438 where: short stacking energy: -128.672 Base-Backbone interact. energy: -2.130 local terms energy: -274.664081 where: bonds (distance) C4'-P energy: -101.123 bonds (distance) P-C4' energy: -79.909 flat angles C4'-P-C4' energy: -78.648 flat angles P-C4'-P energy: -44.523 tors. eta vs tors. theta energy: 29.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -436.332461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.332461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.332461 (E_RNA) where: Base-Base interactions energy: -139.206 where: short stacking energy: -103.614 Base-Backbone interact. energy: 0.177 local terms energy: -297.302915 where: bonds (distance) C4'-P energy: -83.895 bonds (distance) P-C4' energy: -93.620 flat angles C4'-P-C4' energy: -91.804 flat angles P-C4'-P energy: -61.107 tors. eta vs tors. theta energy: 33.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1922.186325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.186325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.186325 (E_RNA) where: Base-Base interactions energy: -1308.060 where: short stacking energy: -562.701 Base-Backbone interact. energy: -0.842 local terms energy: -613.284546 where: bonds (distance) C4'-P energy: -114.177 bonds (distance) P-C4' energy: -110.266 flat angles C4'-P-C4' energy: -126.302 flat angles P-C4'-P energy: -85.712 tors. eta vs tors. theta energy: -176.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1794.352556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.352556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.352556 (E_RNA) where: Base-Base interactions energy: -1232.740 where: short stacking energy: -511.412 Base-Backbone interact. energy: -3.190 local terms energy: -558.422014 where: bonds (distance) C4'-P energy: -96.679 bonds (distance) P-C4' energy: -110.478 flat angles C4'-P-C4' energy: -114.106 flat angles P-C4'-P energy: -86.637 tors. eta vs tors. theta energy: -150.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1684.841298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.841298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.841298 (E_RNA) where: Base-Base interactions energy: -1151.690 where: short stacking energy: -493.975 Base-Backbone interact. energy: -2.847 local terms energy: -530.304387 where: bonds (distance) C4'-P energy: -76.354 bonds (distance) P-C4' energy: -104.337 flat angles C4'-P-C4' energy: -133.722 flat angles P-C4'-P energy: -70.047 tors. eta vs tors. theta energy: -145.844 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: 6 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1536.463121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.463121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.463121 (E_RNA) where: Base-Base interactions energy: -1002.473 where: short stacking energy: -444.245 Base-Backbone interact. energy: -1.466 local terms energy: -532.523765 where: bonds (distance) C4'-P energy: -105.935 bonds (distance) P-C4' energy: -106.055 flat angles C4'-P-C4' energy: -126.545 flat angles P-C4'-P energy: -68.878 tors. eta vs tors. theta energy: -125.111 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: 8 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1426.818047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.818047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.818047 (E_RNA) where: Base-Base interactions energy: -935.322 where: short stacking energy: -399.215 Base-Backbone interact. energy: -1.823 local terms energy: -489.673210 where: bonds (distance) C4'-P energy: -99.562 bonds (distance) P-C4' energy: -98.443 flat angles C4'-P-C4' energy: -112.264 flat angles P-C4'-P energy: -67.459 tors. eta vs tors. theta energy: -111.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1187.480316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.480316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.480316 (E_RNA) where: Base-Base interactions energy: -744.827 where: short stacking energy: -341.538 Base-Backbone interact. energy: -3.490 local terms energy: -439.162919 where: bonds (distance) C4'-P energy: -74.761 bonds (distance) P-C4' energy: -116.290 flat angles C4'-P-C4' energy: -104.613 flat angles P-C4'-P energy: -59.030 tors. eta vs tors. theta energy: -84.469 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: 10 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -901.428705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.428705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.428705 (E_RNA) where: Base-Base interactions energy: -511.883 where: short stacking energy: -281.276 Base-Backbone interact. energy: -3.088 local terms energy: -386.457844 where: bonds (distance) C4'-P energy: -86.816 bonds (distance) P-C4' energy: -90.654 flat angles C4'-P-C4' energy: -111.723 flat angles P-C4'-P energy: -60.044 tors. eta vs tors. theta energy: -37.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -733.908163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.908163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.908163 (E_RNA) where: Base-Base interactions energy: -382.350 where: short stacking energy: -218.499 Base-Backbone interact. energy: -0.925 local terms energy: -350.632337 where: bonds (distance) C4'-P energy: -103.412 bonds (distance) P-C4' energy: -96.015 flat angles C4'-P-C4' energy: -74.889 flat angles P-C4'-P energy: -52.301 tors. eta vs tors. theta energy: -24.015 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: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -536.109309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.109309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.109309 (E_RNA) where: Base-Base interactions energy: -221.164 where: short stacking energy: -147.283 Base-Backbone interact. energy: 0.593 local terms energy: -315.537614 where: bonds (distance) C4'-P energy: -87.913 bonds (distance) P-C4' energy: -106.952 flat angles C4'-P-C4' energy: -81.344 flat angles P-C4'-P energy: -44.933 tors. eta vs tors. theta energy: 5.604 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: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -414.814662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.814662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.814662 (E_RNA) where: Base-Base interactions energy: -133.204 where: short stacking energy: -119.392 Base-Backbone interact. energy: -3.330 local terms energy: -278.281425 where: bonds (distance) C4'-P energy: -94.541 bonds (distance) P-C4' energy: -82.315 flat angles C4'-P-C4' energy: -79.309 flat angles P-C4'-P energy: -37.777 tors. eta vs tors. theta energy: 15.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1936.215569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.215569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.215569 (E_RNA) where: Base-Base interactions energy: -1318.335 where: short stacking energy: -561.803 Base-Backbone interact. energy: -1.613 local terms energy: -616.267637 where: bonds (distance) C4'-P energy: -120.082 bonds (distance) P-C4' energy: -111.136 flat angles C4'-P-C4' energy: -129.827 flat angles P-C4'-P energy: -80.930 tors. eta vs tors. theta energy: -174.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1792.969317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.969317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.969317 (E_RNA) where: Base-Base interactions energy: -1237.537 where: short stacking energy: -496.444 Base-Backbone interact. energy: 1.610 local terms energy: -557.042127 where: bonds (distance) C4'-P energy: -96.168 bonds (distance) P-C4' energy: -113.598 flat angles C4'-P-C4' energy: -126.751 flat angles P-C4'-P energy: -78.215 tors. eta vs tors. theta energy: -142.310 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: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1687.710181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.710181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.710181 (E_RNA) where: Base-Base interactions energy: -1149.772 where: short stacking energy: -484.337 Base-Backbone interact. energy: -2.535 local terms energy: -535.402915 where: bonds (distance) C4'-P energy: -110.424 bonds (distance) P-C4' energy: -102.451 flat angles C4'-P-C4' energy: -116.811 flat angles P-C4'-P energy: -69.961 tors. eta vs tors. theta energy: -135.755 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: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1500.957457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.957457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.957457 (E_RNA) where: Base-Base interactions energy: -988.204 where: short stacking energy: -425.226 Base-Backbone interact. energy: -1.061 local terms energy: -511.692114 where: bonds (distance) C4'-P energy: -105.541 bonds (distance) P-C4' energy: -106.252 flat angles C4'-P-C4' energy: -97.697 flat angles P-C4'-P energy: -87.113 tors. eta vs tors. theta energy: -115.089 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: 8 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1464.825698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.825698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.825698 (E_RNA) where: Base-Base interactions energy: -952.157 where: short stacking energy: -444.464 Base-Backbone interact. energy: -1.170 local terms energy: -511.498431 where: bonds (distance) C4'-P energy: -97.992 bonds (distance) P-C4' energy: -92.062 flat angles C4'-P-C4' energy: -115.969 flat angles P-C4'-P energy: -77.752 tors. eta vs tors. theta energy: -127.724 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: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1187.694051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.694051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.694051 (E_RNA) where: Base-Base interactions energy: -755.872 where: short stacking energy: -339.354 Base-Backbone interact. energy: -0.065 local terms energy: -431.757261 where: bonds (distance) C4'-P energy: -88.599 bonds (distance) P-C4' energy: -106.796 flat angles C4'-P-C4' energy: -104.504 flat angles P-C4'-P energy: -53.180 tors. eta vs tors. theta energy: -78.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -938.147289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.147289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.147289 (E_RNA) where: Base-Base interactions energy: -536.800 where: short stacking energy: -265.345 Base-Backbone interact. energy: 1.298 local terms energy: -402.644642 where: bonds (distance) C4'-P energy: -110.680 bonds (distance) P-C4' energy: -99.531 flat angles C4'-P-C4' energy: -99.966 flat angles P-C4'-P energy: -42.856 tors. eta vs tors. theta energy: -49.612 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: 8, replica: 5 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -703.455439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.455439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.455439 (E_RNA) where: Base-Base interactions energy: -347.391 where: short stacking energy: -194.048 Base-Backbone interact. energy: -1.278 local terms energy: -354.786015 where: bonds (distance) C4'-P energy: -89.460 bonds (distance) P-C4' energy: -81.697 flat angles C4'-P-C4' energy: -96.357 flat angles P-C4'-P energy: -64.420 tors. eta vs tors. theta energy: -22.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -522.601175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.601175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.601175 (E_RNA) where: Base-Base interactions energy: -224.159 where: short stacking energy: -146.177 Base-Backbone interact. energy: 10.979 local terms energy: -309.421168 where: bonds (distance) C4'-P energy: -98.418 bonds (distance) P-C4' energy: -97.082 flat angles C4'-P-C4' energy: -65.992 flat angles P-C4'-P energy: -59.660 tors. eta vs tors. theta energy: 11.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -442.790288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.790288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.790288 (E_RNA) where: Base-Base interactions energy: -145.632 where: short stacking energy: -112.686 Base-Backbone interact. energy: 0.962 local terms energy: -298.119839 where: bonds (distance) C4'-P energy: -91.429 bonds (distance) P-C4' energy: -102.509 flat angles C4'-P-C4' energy: -60.870 flat angles P-C4'-P energy: -58.661 tors. eta vs tors. theta energy: 15.349 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: 7 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1958.224232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.224232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.224232 (E_RNA) where: Base-Base interactions energy: -1341.368 where: short stacking energy: -579.788 Base-Backbone interact. energy: -0.565 local terms energy: -616.291846 where: bonds (distance) C4'-P energy: -101.664 bonds (distance) P-C4' energy: -115.856 flat angles C4'-P-C4' energy: -132.210 flat angles P-C4'-P energy: -80.362 tors. eta vs tors. theta energy: -186.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1768.357862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.357862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.357862 (E_RNA) where: Base-Base interactions energy: -1195.650 where: short stacking energy: -512.028 Base-Backbone interact. energy: -2.787 local terms energy: -569.920505 where: bonds (distance) C4'-P energy: -92.445 bonds (distance) P-C4' energy: -111.825 flat angles C4'-P-C4' energy: -124.465 flat angles P-C4'-P energy: -81.642 tors. eta vs tors. theta energy: -159.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1645.725442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.725442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.725442 (E_RNA) where: Base-Base interactions energy: -1122.424 where: short stacking energy: -475.381 Base-Backbone interact. energy: -0.167 local terms energy: -523.133639 where: bonds (distance) C4'-P energy: -105.577 bonds (distance) P-C4' energy: -96.687 flat angles C4'-P-C4' energy: -128.695 flat angles P-C4'-P energy: -55.047 tors. eta vs tors. theta energy: -137.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1580.677460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.677460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.677460 (E_RNA) where: Base-Base interactions energy: -1062.565 where: short stacking energy: -448.386 Base-Backbone interact. energy: -2.838 local terms energy: -515.273811 where: bonds (distance) C4'-P energy: -109.407 bonds (distance) P-C4' energy: -99.936 flat angles C4'-P-C4' energy: -116.350 flat angles P-C4'-P energy: -64.253 tors. eta vs tors. theta energy: -125.328 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: 5, replica: 8 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1419.548729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.548729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.548729 (E_RNA) where: Base-Base interactions energy: -895.364 where: short stacking energy: -416.322 Base-Backbone interact. energy: -2.241 local terms energy: -521.943224 where: bonds (distance) C4'-P energy: -97.374 bonds (distance) P-C4' energy: -115.657 flat angles C4'-P-C4' energy: -110.631 flat angles P-C4'-P energy: -79.848 tors. eta vs tors. theta energy: -118.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1224.791346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.791346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.791346 (E_RNA) where: Base-Base interactions energy: -751.219 where: short stacking energy: -337.895 Base-Backbone interact. energy: 2.731 local terms energy: -476.304135 where: bonds (distance) C4'-P energy: -98.675 bonds (distance) P-C4' energy: -104.308 flat angles C4'-P-C4' energy: -105.763 flat angles P-C4'-P energy: -72.801 tors. eta vs tors. theta energy: -94.758 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: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -982.793522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.793522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.793522 (E_RNA) where: Base-Base interactions energy: -587.601 where: short stacking energy: -286.627 Base-Backbone interact. energy: -0.665 local terms energy: -394.527797 where: bonds (distance) C4'-P energy: -94.995 bonds (distance) P-C4' energy: -102.160 flat angles C4'-P-C4' energy: -96.684 flat angles P-C4'-P energy: -48.023 tors. eta vs tors. theta energy: -52.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -750.547267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.547267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.547267 (E_RNA) where: Base-Base interactions energy: -388.343 where: short stacking energy: -224.768 Base-Backbone interact. energy: -0.881 local terms energy: -361.323275 where: bonds (distance) C4'-P energy: -80.754 bonds (distance) P-C4' energy: -102.835 flat angles C4'-P-C4' energy: -92.913 flat angles P-C4'-P energy: -55.111 tors. eta vs tors. theta energy: -29.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -540.009860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.009860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.009860 (E_RNA) where: Base-Base interactions energy: -193.121 where: short stacking energy: -134.586 Base-Backbone interact. energy: 4.977 local terms energy: -351.866331 where: bonds (distance) C4'-P energy: -115.006 bonds (distance) P-C4' energy: -97.906 flat angles C4'-P-C4' energy: -77.409 flat angles P-C4'-P energy: -61.438 tors. eta vs tors. theta energy: -0.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -453.707066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.707066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.707066 (E_RNA) where: Base-Base interactions energy: -158.785 where: short stacking energy: -116.734 Base-Backbone interact. energy: -1.261 local terms energy: -293.661758 where: bonds (distance) C4'-P energy: -89.129 bonds (distance) P-C4' energy: -98.874 flat angles C4'-P-C4' energy: -87.336 flat angles P-C4'-P energy: -26.786 tors. eta vs tors. theta energy: 8.462 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: 7 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1917.066490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.066490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.066490 (E_RNA) where: Base-Base interactions energy: -1294.501 where: short stacking energy: -574.988 Base-Backbone interact. energy: -2.186 local terms energy: -620.380099 where: bonds (distance) C4'-P energy: -113.207 bonds (distance) P-C4' energy: -111.256 flat angles C4'-P-C4' energy: -136.009 flat angles P-C4'-P energy: -81.628 tors. eta vs tors. theta energy: -178.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1789.586187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.586187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.586187 (E_RNA) where: Base-Base interactions energy: -1210.619 where: short stacking energy: -522.519 Base-Backbone interact. energy: -1.013 local terms energy: -577.954066 where: bonds (distance) C4'-P energy: -115.104 bonds (distance) P-C4' energy: -110.949 flat angles C4'-P-C4' energy: -123.981 flat angles P-C4'-P energy: -75.110 tors. eta vs tors. theta energy: -152.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1654.495221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.495221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.495221 (E_RNA) where: Base-Base interactions energy: -1136.744 where: short stacking energy: -469.881 Base-Backbone interact. energy: -0.599 local terms energy: -517.152551 where: bonds (distance) C4'-P energy: -103.075 bonds (distance) P-C4' energy: -102.129 flat angles C4'-P-C4' energy: -110.608 flat angles P-C4'-P energy: -66.142 tors. eta vs tors. theta energy: -135.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1583.464785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.464785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.464785 (E_RNA) where: Base-Base interactions energy: -1056.596 where: short stacking energy: -457.688 Base-Backbone interact. energy: 0.549 local terms energy: -527.417404 where: bonds (distance) C4'-P energy: -101.287 bonds (distance) P-C4' energy: -110.826 flat angles C4'-P-C4' energy: -120.828 flat angles P-C4'-P energy: -75.071 tors. eta vs tors. theta energy: -119.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1412.213769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.213769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.213769 (E_RNA) where: Base-Base interactions energy: -898.220 where: short stacking energy: -388.302 Base-Backbone interact. energy: 0.281 local terms energy: -514.274184 where: bonds (distance) C4'-P energy: -107.189 bonds (distance) P-C4' energy: -116.745 flat angles C4'-P-C4' energy: -102.824 flat angles P-C4'-P energy: -78.122 tors. eta vs tors. theta energy: -109.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1235.610456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.610456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.610456 (E_RNA) where: Base-Base interactions energy: -780.484 where: short stacking energy: -355.368 Base-Backbone interact. energy: 1.249 local terms energy: -456.375007 where: bonds (distance) C4'-P energy: -99.758 bonds (distance) P-C4' energy: -101.962 flat angles C4'-P-C4' energy: -97.613 flat angles P-C4'-P energy: -76.206 tors. eta vs tors. theta energy: -80.837 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: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -942.648435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.648435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.648435 (E_RNA) where: Base-Base interactions energy: -562.773 where: short stacking energy: -260.887 Base-Backbone interact. energy: 2.800 local terms energy: -382.675273 where: bonds (distance) C4'-P energy: -93.482 bonds (distance) P-C4' energy: -99.858 flat angles C4'-P-C4' energy: -90.758 flat angles P-C4'-P energy: -61.736 tors. eta vs tors. theta energy: -36.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -713.252672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.252672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.252672 (E_RNA) where: Base-Base interactions energy: -370.060 where: short stacking energy: -213.259 Base-Backbone interact. energy: -1.337 local terms energy: -341.856268 where: bonds (distance) C4'-P energy: -95.568 bonds (distance) P-C4' energy: -86.548 flat angles C4'-P-C4' energy: -88.073 flat angles P-C4'-P energy: -44.865 tors. eta vs tors. theta energy: -26.801 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: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -508.648100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.648100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.648100 (E_RNA) where: Base-Base interactions energy: -219.861 where: short stacking energy: -152.619 Base-Backbone interact. energy: 1.729 local terms energy: -290.516542 where: bonds (distance) C4'-P energy: -84.118 bonds (distance) P-C4' energy: -98.966 flat angles C4'-P-C4' energy: -76.398 flat angles P-C4'-P energy: -40.905 tors. eta vs tors. theta energy: 9.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -429.560937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.560937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.560937 (E_RNA) where: Base-Base interactions energy: -122.096 where: short stacking energy: -112.007 Base-Backbone interact. energy: 0.370 local terms energy: -307.834737 where: bonds (distance) C4'-P energy: -104.646 bonds (distance) P-C4' energy: -74.597 flat angles C4'-P-C4' energy: -92.746 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: 11.923 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: 7 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1909.821073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.821073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.821073 (E_RNA) where: Base-Base interactions energy: -1304.004 where: short stacking energy: -561.625 Base-Backbone interact. energy: -0.704 local terms energy: -605.113499 where: bonds (distance) C4'-P energy: -111.003 bonds (distance) P-C4' energy: -112.907 flat angles C4'-P-C4' energy: -132.584 flat angles P-C4'-P energy: -79.131 tors. eta vs tors. theta energy: -169.488 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: 2, replica: 3 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1751.363753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.363753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.363753 (E_RNA) where: Base-Base interactions energy: -1184.789 where: short stacking energy: -502.258 Base-Backbone interact. energy: -2.878 local terms energy: -563.697197 where: bonds (distance) C4'-P energy: -114.497 bonds (distance) P-C4' energy: -109.059 flat angles C4'-P-C4' energy: -114.278 flat angles P-C4'-P energy: -69.493 tors. eta vs tors. theta energy: -156.371 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: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1646.713942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.713942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.713942 (E_RNA) where: Base-Base interactions energy: -1138.010 where: short stacking energy: -468.398 Base-Backbone interact. energy: -0.596 local terms energy: -508.107773 where: bonds (distance) C4'-P energy: -87.474 bonds (distance) P-C4' energy: -104.839 flat angles C4'-P-C4' energy: -115.657 flat angles P-C4'-P energy: -77.423 tors. eta vs tors. theta energy: -122.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1606.564711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.564711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.564711 (E_RNA) where: Base-Base interactions energy: -1053.426 where: short stacking energy: -445.977 Base-Backbone interact. energy: -1.901 local terms energy: -551.237773 where: bonds (distance) C4'-P energy: -98.940 bonds (distance) P-C4' energy: -108.107 flat angles C4'-P-C4' energy: -126.182 flat angles P-C4'-P energy: -86.596 tors. eta vs tors. theta energy: -131.413 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: 5, replica: 8 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1404.453237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.453237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.453237 (E_RNA) where: Base-Base interactions energy: -912.073 where: short stacking energy: -415.908 Base-Backbone interact. energy: -2.583 local terms energy: -489.796956 where: bonds (distance) C4'-P energy: -92.351 bonds (distance) P-C4' energy: -103.549 flat angles C4'-P-C4' energy: -106.605 flat angles P-C4'-P energy: -75.374 tors. eta vs tors. theta energy: -111.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1274.929348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.929348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.929348 (E_RNA) where: Base-Base interactions energy: -803.868 where: short stacking energy: -344.976 Base-Backbone interact. energy: -0.603 local terms energy: -470.458529 where: bonds (distance) C4'-P energy: -92.447 bonds (distance) P-C4' energy: -103.729 flat angles C4'-P-C4' energy: -109.390 flat angles P-C4'-P energy: -81.232 tors. eta vs tors. theta energy: -83.660 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: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -972.607512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.607512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.607512 (E_RNA) where: Base-Base interactions energy: -616.856 where: short stacking energy: -272.346 Base-Backbone interact. energy: 3.783 local terms energy: -359.533910 where: bonds (distance) C4'-P energy: -78.707 bonds (distance) P-C4' energy: -98.124 flat angles C4'-P-C4' energy: -95.145 flat angles P-C4'-P energy: -58.382 tors. eta vs tors. theta energy: -29.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -706.206312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.206312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.206312 (E_RNA) where: Base-Base interactions energy: -370.717 where: short stacking energy: -197.650 Base-Backbone interact. energy: -0.361 local terms energy: -335.127914 where: bonds (distance) C4'-P energy: -113.923 bonds (distance) P-C4' energy: -94.817 flat angles C4'-P-C4' energy: -67.067 flat angles P-C4'-P energy: -48.423 tors. eta vs tors. theta energy: -10.897 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: 9, replica: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -504.367219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.367219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.367219 (E_RNA) where: Base-Base interactions energy: -205.244 where: short stacking energy: -117.638 Base-Backbone interact. energy: -3.118 local terms energy: -296.005227 where: bonds (distance) C4'-P energy: -94.670 bonds (distance) P-C4' energy: -92.466 flat angles C4'-P-C4' energy: -95.551 flat angles P-C4'-P energy: -34.539 tors. eta vs tors. theta energy: 21.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -415.977616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.977616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.977616 (E_RNA) where: Base-Base interactions energy: -121.966 where: short stacking energy: -100.865 Base-Backbone interact. energy: 4.441 local terms energy: -298.452653 where: bonds (distance) C4'-P energy: -98.699 bonds (distance) P-C4' energy: -93.652 flat angles C4'-P-C4' energy: -82.844 flat angles P-C4'-P energy: -38.015 tors. eta vs tors. theta energy: 14.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1911.763976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.763976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.763976 (E_RNA) where: Base-Base interactions energy: -1318.678 where: short stacking energy: -563.614 Base-Backbone interact. energy: -1.252 local terms energy: -591.833610 where: bonds (distance) C4'-P energy: -107.797 bonds (distance) P-C4' energy: -104.938 flat angles C4'-P-C4' energy: -125.480 flat angles P-C4'-P energy: -83.220 tors. eta vs tors. theta energy: -170.399 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: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1751.094477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.094477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.094477 (E_RNA) where: Base-Base interactions energy: -1186.619 where: short stacking energy: -494.342 Base-Backbone interact. energy: 0.076 local terms energy: -564.551270 where: bonds (distance) C4'-P energy: -102.477 bonds (distance) P-C4' energy: -112.359 flat angles C4'-P-C4' energy: -125.903 flat angles P-C4'-P energy: -76.960 tors. eta vs tors. theta energy: -146.853 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: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1660.890018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.890018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.890018 (E_RNA) where: Base-Base interactions energy: -1109.790 where: short stacking energy: -485.136 Base-Backbone interact. energy: -3.238 local terms energy: -547.862127 where: bonds (distance) C4'-P energy: -114.938 bonds (distance) P-C4' energy: -107.625 flat angles C4'-P-C4' energy: -118.895 flat angles P-C4'-P energy: -65.517 tors. eta vs tors. theta energy: -140.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1544.125399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.125399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.125399 (E_RNA) where: Base-Base interactions energy: -1002.392 where: short stacking energy: -440.627 Base-Backbone interact. energy: -1.592 local terms energy: -540.141233 where: bonds (distance) C4'-P energy: -106.585 bonds (distance) P-C4' energy: -103.970 flat angles C4'-P-C4' energy: -126.655 flat angles P-C4'-P energy: -77.060 tors. eta vs tors. theta energy: -125.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1386.342940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.342940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.342940 (E_RNA) where: Base-Base interactions energy: -909.782 where: short stacking energy: -404.089 Base-Backbone interact. energy: -1.635 local terms energy: -474.926558 where: bonds (distance) C4'-P energy: -102.837 bonds (distance) P-C4' energy: -102.772 flat angles C4'-P-C4' energy: -93.605 flat angles P-C4'-P energy: -71.697 tors. eta vs tors. theta energy: -104.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1288.225922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.225922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.225922 (E_RNA) where: Base-Base interactions energy: -844.403 where: short stacking energy: -369.313 Base-Backbone interact. energy: -2.573 local terms energy: -441.249864 where: bonds (distance) C4'-P energy: -102.084 bonds (distance) P-C4' energy: -91.990 flat angles C4'-P-C4' energy: -103.975 flat angles P-C4'-P energy: -60.343 tors. eta vs tors. theta energy: -82.858 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: 399 Temperature: 1.200000 Total energy: -1052.955023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.955023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.955023 (E_RNA) where: Base-Base interactions energy: -627.431 where: short stacking energy: -297.987 Base-Backbone interact. energy: -1.433 local terms energy: -424.090731 where: bonds (distance) C4'-P energy: -89.646 bonds (distance) P-C4' energy: -105.590 flat angles C4'-P-C4' energy: -114.974 flat angles P-C4'-P energy: -52.685 tors. eta vs tors. theta energy: -61.195 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: 5 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -735.310493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.310493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.310493 (E_RNA) where: Base-Base interactions energy: -399.576 where: short stacking energy: -220.807 Base-Backbone interact. energy: -0.797 local terms energy: -334.937815 where: bonds (distance) C4'-P energy: -72.950 bonds (distance) P-C4' energy: -78.723 flat angles C4'-P-C4' energy: -102.253 flat angles P-C4'-P energy: -53.622 tors. eta vs tors. theta energy: -27.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -531.013176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.013176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.013176 (E_RNA) where: Base-Base interactions energy: -224.711 where: short stacking energy: -157.916 Base-Backbone interact. energy: 9.154 local terms energy: -315.456713 where: bonds (distance) C4'-P energy: -88.164 bonds (distance) P-C4' energy: -99.712 flat angles C4'-P-C4' energy: -80.494 flat angles P-C4'-P energy: -61.928 tors. eta vs tors. theta energy: 14.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -426.304216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.304216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.304216 (E_RNA) where: Base-Base interactions energy: -160.755 where: short stacking energy: -128.065 Base-Backbone interact. energy: 1.800 local terms energy: -267.349212 where: bonds (distance) C4'-P energy: -69.746 bonds (distance) P-C4' energy: -114.053 flat angles C4'-P-C4' energy: -61.159 flat angles P-C4'-P energy: -32.435 tors. eta vs tors. theta energy: 10.044 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: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1913.673318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.673318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.673318 (E_RNA) where: Base-Base interactions energy: -1343.023 where: short stacking energy: -563.324 Base-Backbone interact. energy: -2.676 local terms energy: -567.973988 where: bonds (distance) C4'-P energy: -98.753 bonds (distance) P-C4' energy: -93.797 flat angles C4'-P-C4' energy: -123.256 flat angles P-C4'-P energy: -86.829 tors. eta vs tors. theta energy: -165.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1760.630003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.630003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.630003 (E_RNA) where: Base-Base interactions energy: -1211.446 where: short stacking energy: -512.856 Base-Backbone interact. energy: -3.647 local terms energy: -545.537070 where: bonds (distance) C4'-P energy: -115.330 bonds (distance) P-C4' energy: -96.886 flat angles C4'-P-C4' energy: -119.503 flat angles P-C4'-P energy: -59.593 tors. eta vs tors. theta energy: -154.225 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: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1675.302752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.302752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.302752 (E_RNA) where: Base-Base interactions energy: -1147.675 where: short stacking energy: -511.049 Base-Backbone interact. energy: -3.209 local terms energy: -524.419044 where: bonds (distance) C4'-P energy: -92.939 bonds (distance) P-C4' energy: -102.143 flat angles C4'-P-C4' energy: -110.008 flat angles P-C4'-P energy: -74.713 tors. eta vs tors. theta energy: -144.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1579.443016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.443016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.443016 (E_RNA) where: Base-Base interactions energy: -1049.037 where: short stacking energy: -447.813 Base-Backbone interact. energy: -1.905 local terms energy: -528.501282 where: bonds (distance) C4'-P energy: -97.938 bonds (distance) P-C4' energy: -103.032 flat angles C4'-P-C4' energy: -108.393 flat angles P-C4'-P energy: -80.429 tors. eta vs tors. theta energy: -138.709 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: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1324.243053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.243053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.243053 (E_RNA) where: Base-Base interactions energy: -873.075 where: short stacking energy: -358.790 Base-Backbone interact. energy: -0.500 local terms energy: -450.667854 where: bonds (distance) C4'-P energy: -98.247 bonds (distance) P-C4' energy: -110.461 flat angles C4'-P-C4' energy: -87.848 flat angles P-C4'-P energy: -65.115 tors. eta vs tors. theta energy: -88.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1247.828407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.828407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.828407 (E_RNA) where: Base-Base interactions energy: -822.371 where: short stacking energy: -356.172 Base-Backbone interact. energy: -2.150 local terms energy: -423.307365 where: bonds (distance) C4'-P energy: -99.617 bonds (distance) P-C4' energy: -98.228 flat angles C4'-P-C4' energy: -92.753 flat angles P-C4'-P energy: -60.878 tors. eta vs tors. theta energy: -71.831 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: 10 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1013.387178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.387178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.387178 (E_RNA) where: Base-Base interactions energy: -589.629 where: short stacking energy: -245.574 Base-Backbone interact. energy: 0.260 local terms energy: -424.018711 where: bonds (distance) C4'-P energy: -112.008 bonds (distance) P-C4' energy: -101.702 flat angles C4'-P-C4' energy: -97.921 flat angles P-C4'-P energy: -64.516 tors. eta vs tors. theta energy: -47.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -774.728485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.728485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.728485 (E_RNA) where: Base-Base interactions energy: -408.815 where: short stacking energy: -221.194 Base-Backbone interact. energy: -3.322 local terms energy: -362.591541 where: bonds (distance) C4'-P energy: -86.556 bonds (distance) P-C4' energy: -88.593 flat angles C4'-P-C4' energy: -102.820 flat angles P-C4'-P energy: -67.189 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: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -546.802523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.802523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.802523 (E_RNA) where: Base-Base interactions energy: -230.804 where: short stacking energy: -133.710 Base-Backbone interact. energy: 1.045 local terms energy: -317.043118 where: bonds (distance) C4'-P energy: -68.434 bonds (distance) P-C4' energy: -95.543 flat angles C4'-P-C4' energy: -98.565 flat angles P-C4'-P energy: -57.889 tors. eta vs tors. theta energy: 3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -441.358847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.358847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.358847 (E_RNA) where: Base-Base interactions energy: -127.349 where: short stacking energy: -108.306 Base-Backbone interact. energy: 2.876 local terms energy: -316.886533 where: bonds (distance) C4'-P energy: -91.255 bonds (distance) P-C4' energy: -118.995 flat angles C4'-P-C4' energy: -81.238 flat angles P-C4'-P energy: -33.347 tors. eta vs tors. theta energy: 7.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1885.221433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.221433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.221433 (E_RNA) where: Base-Base interactions energy: -1303.523 where: short stacking energy: -546.718 Base-Backbone interact. energy: -1.696 local terms energy: -580.002571 where: bonds (distance) C4'-P energy: -99.980 bonds (distance) P-C4' energy: -110.580 flat angles C4'-P-C4' energy: -124.749 flat angles P-C4'-P energy: -81.453 tors. eta vs tors. theta energy: -163.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1765.006809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.006809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.006809 (E_RNA) where: Base-Base interactions energy: -1195.683 where: short stacking energy: -504.421 Base-Backbone interact. energy: -3.182 local terms energy: -566.142052 where: bonds (distance) C4'-P energy: -96.559 bonds (distance) P-C4' energy: -125.206 flat angles C4'-P-C4' energy: -122.335 flat angles P-C4'-P energy: -71.351 tors. eta vs tors. theta energy: -150.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1657.866262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.866262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.866262 (E_RNA) where: Base-Base interactions energy: -1142.302 where: short stacking energy: -487.047 Base-Backbone interact. energy: 4.998 local terms energy: -520.562026 where: bonds (distance) C4'-P energy: -96.339 bonds (distance) P-C4' energy: -112.451 flat angles C4'-P-C4' energy: -110.626 flat angles P-C4'-P energy: -68.656 tors. eta vs tors. theta energy: -132.489 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: 401 Temperature: 1.050000 Total energy: -1568.523443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.523443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.523443 (E_RNA) where: Base-Base interactions energy: -1035.513 where: short stacking energy: -443.716 Base-Backbone interact. energy: -2.574 local terms energy: -530.437052 where: bonds (distance) C4'-P energy: -105.749 bonds (distance) P-C4' energy: -102.032 flat angles C4'-P-C4' energy: -123.742 flat angles P-C4'-P energy: -68.447 tors. eta vs tors. theta energy: -130.468 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: 8 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1302.631711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.631711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.631711 (E_RNA) where: Base-Base interactions energy: -840.521 where: short stacking energy: -379.127 Base-Backbone interact. energy: -0.922 local terms energy: -461.188366 where: bonds (distance) C4'-P energy: -93.600 bonds (distance) P-C4' energy: -79.740 flat angles C4'-P-C4' energy: -119.597 flat angles P-C4'-P energy: -68.238 tors. eta vs tors. theta energy: -100.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1177.694523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.694523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.694523 (E_RNA) where: Base-Base interactions energy: -738.115 where: short stacking energy: -309.256 Base-Backbone interact. energy: 1.546 local terms energy: -441.125534 where: bonds (distance) C4'-P energy: -107.273 bonds (distance) P-C4' energy: -98.339 flat angles C4'-P-C4' energy: -83.743 flat angles P-C4'-P energy: -69.880 tors. eta vs tors. theta energy: -81.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -951.076131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.076131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.076131 (E_RNA) where: Base-Base interactions energy: -562.833 where: short stacking energy: -261.430 Base-Backbone interact. energy: -0.378 local terms energy: -387.865879 where: bonds (distance) C4'-P energy: -98.457 bonds (distance) P-C4' energy: -97.474 flat angles C4'-P-C4' energy: -84.848 flat angles P-C4'-P energy: -55.454 tors. eta vs tors. theta energy: -51.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -734.932311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.932311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.932311 (E_RNA) where: Base-Base interactions energy: -429.836 where: short stacking energy: -216.610 Base-Backbone interact. energy: 3.884 local terms energy: -308.980508 where: bonds (distance) C4'-P energy: -73.474 bonds (distance) P-C4' energy: -82.664 flat angles C4'-P-C4' energy: -89.275 flat angles P-C4'-P energy: -53.548 tors. eta vs tors. theta energy: -10.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -535.493249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.493249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.493249 (E_RNA) where: Base-Base interactions energy: -229.569 where: short stacking energy: -125.830 Base-Backbone interact. energy: 3.433 local terms energy: -309.357296 where: bonds (distance) C4'-P energy: -93.901 bonds (distance) P-C4' energy: -82.302 flat angles C4'-P-C4' energy: -99.855 flat angles P-C4'-P energy: -42.809 tors. eta vs tors. theta energy: 9.510 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: 10, replica: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -431.675518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.675518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.675518 (E_RNA) where: Base-Base interactions energy: -141.871 where: short stacking energy: -128.857 Base-Backbone interact. energy: 0.357 local terms energy: -290.161912 where: bonds (distance) C4'-P energy: -90.589 bonds (distance) P-C4' energy: -94.293 flat angles C4'-P-C4' energy: -76.656 flat angles P-C4'-P energy: -54.251 tors. eta vs tors. theta energy: 25.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1896.647975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.647975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.647975 (E_RNA) where: Base-Base interactions energy: -1298.559 where: short stacking energy: -563.948 Base-Backbone interact. energy: -4.525 local terms energy: -593.563938 where: bonds (distance) C4'-P energy: -104.577 bonds (distance) P-C4' energy: -116.447 flat angles C4'-P-C4' energy: -124.077 flat angles P-C4'-P energy: -80.037 tors. eta vs tors. theta energy: -168.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1798.343210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.343210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.343210 (E_RNA) where: Base-Base interactions energy: -1238.504 where: short stacking energy: -531.733 Base-Backbone interact. energy: -1.415 local terms energy: -558.424575 where: bonds (distance) C4'-P energy: -106.870 bonds (distance) P-C4' energy: -98.292 flat angles C4'-P-C4' energy: -128.551 flat angles P-C4'-P energy: -67.139 tors. eta vs tors. theta energy: -157.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1676.663420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.663420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.663420 (E_RNA) where: Base-Base interactions energy: -1109.496 where: short stacking energy: -497.548 Base-Backbone interact. energy: -5.405 local terms energy: -561.762969 where: bonds (distance) C4'-P energy: -108.613 bonds (distance) P-C4' energy: -104.951 flat angles C4'-P-C4' energy: -133.667 flat angles P-C4'-P energy: -73.329 tors. eta vs tors. theta energy: -141.204 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: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1581.474113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.474113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.474113 (E_RNA) where: Base-Base interactions energy: -1077.077 where: short stacking energy: -466.585 Base-Backbone interact. energy: -1.551 local terms energy: -502.846278 where: bonds (distance) C4'-P energy: -95.417 bonds (distance) P-C4' energy: -107.233 flat angles C4'-P-C4' energy: -111.488 flat angles P-C4'-P energy: -66.446 tors. eta vs tors. theta energy: -122.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1312.219300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.219300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.219300 (E_RNA) where: Base-Base interactions energy: -833.404 where: short stacking energy: -389.956 Base-Backbone interact. energy: -0.117 local terms energy: -478.699154 where: bonds (distance) C4'-P energy: -91.598 bonds (distance) P-C4' energy: -100.369 flat angles C4'-P-C4' energy: -121.701 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: -105.450 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: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1186.168595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.168595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.168595 (E_RNA) where: Base-Base interactions energy: -751.285 where: short stacking energy: -328.840 Base-Backbone interact. energy: -2.322 local terms energy: -432.561551 where: bonds (distance) C4'-P energy: -70.715 bonds (distance) P-C4' energy: -102.887 flat angles C4'-P-C4' energy: -111.913 flat angles P-C4'-P energy: -59.497 tors. eta vs tors. theta energy: -87.550 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: 10 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -955.180773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.180773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.180773 (E_RNA) where: Base-Base interactions energy: -570.858 where: short stacking energy: -266.118 Base-Backbone interact. energy: -4.499 local terms energy: -379.823947 where: bonds (distance) C4'-P energy: -103.869 bonds (distance) P-C4' energy: -82.977 flat angles C4'-P-C4' energy: -105.596 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: -41.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -746.934472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.934472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.934472 (E_RNA) where: Base-Base interactions energy: -374.062 where: short stacking energy: -210.279 Base-Backbone interact. energy: -2.857 local terms energy: -370.016369 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -94.814 flat angles C4'-P-C4' energy: -94.441 flat angles P-C4'-P energy: -61.533 tors. eta vs tors. theta energy: -19.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -440.801641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.801641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.801641 (E_RNA) where: Base-Base interactions energy: -160.291 where: short stacking energy: -131.148 Base-Backbone interact. energy: -0.781 local terms energy: -279.730298 where: bonds (distance) C4'-P energy: -82.729 bonds (distance) P-C4' energy: -80.746 flat angles C4'-P-C4' energy: -86.584 flat angles P-C4'-P energy: -48.327 tors. eta vs tors. theta energy: 18.655 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: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -549.994875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.994875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.994875 (E_RNA) where: Base-Base interactions energy: -259.759 where: short stacking energy: -153.339 Base-Backbone interact. energy: 3.416 local terms energy: -293.651878 where: bonds (distance) C4'-P energy: -95.911 bonds (distance) P-C4' energy: -114.983 flat angles C4'-P-C4' energy: -63.540 flat angles P-C4'-P energy: -32.118 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: 1, replica: 7 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1891.127670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.127670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.127670 (E_RNA) where: Base-Base interactions energy: -1294.141 where: short stacking energy: -531.715 Base-Backbone interact. energy: -0.942 local terms energy: -596.044577 where: bonds (distance) C4'-P energy: -109.997 bonds (distance) P-C4' energy: -108.777 flat angles C4'-P-C4' energy: -108.443 flat angles P-C4'-P energy: -97.578 tors. eta vs tors. theta energy: -171.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1817.596047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.596047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.596047 (E_RNA) where: Base-Base interactions energy: -1249.697 where: short stacking energy: -502.092 Base-Backbone interact. energy: -2.260 local terms energy: -565.638848 where: bonds (distance) C4'-P energy: -99.704 bonds (distance) P-C4' energy: -105.521 flat angles C4'-P-C4' energy: -128.018 flat angles P-C4'-P energy: -79.553 tors. eta vs tors. theta energy: -152.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1651.689992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.689992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.689992 (E_RNA) where: Base-Base interactions energy: -1132.625 where: short stacking energy: -465.098 Base-Backbone interact. energy: -1.428 local terms energy: -517.636257 where: bonds (distance) C4'-P energy: -87.510 bonds (distance) P-C4' energy: -117.495 flat angles C4'-P-C4' energy: -111.074 flat angles P-C4'-P energy: -65.054 tors. eta vs tors. theta energy: -136.504 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: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1562.923749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.923749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.923749 (E_RNA) where: Base-Base interactions energy: -1043.342 where: short stacking energy: -419.048 Base-Backbone interact. energy: -1.694 local terms energy: -517.887933 where: bonds (distance) C4'-P energy: -104.689 bonds (distance) P-C4' energy: -103.977 flat angles C4'-P-C4' energy: -110.282 flat angles P-C4'-P energy: -72.133 tors. eta vs tors. theta energy: -126.806 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: 5, replica: 8 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1356.908651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.908651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.908651 (E_RNA) where: Base-Base interactions energy: -866.922 where: short stacking energy: -412.937 Base-Backbone interact. energy: -3.190 local terms energy: -486.796634 where: bonds (distance) C4'-P energy: -102.875 bonds (distance) P-C4' energy: -99.566 flat angles C4'-P-C4' energy: -107.254 flat angles P-C4'-P energy: -68.731 tors. eta vs tors. theta energy: -108.370 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: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1137.205127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.205127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.205127 (E_RNA) where: Base-Base interactions energy: -696.855 where: short stacking energy: -339.676 Base-Backbone interact. energy: 1.156 local terms energy: -441.506480 where: bonds (distance) C4'-P energy: -86.409 bonds (distance) P-C4' energy: -111.192 flat angles C4'-P-C4' energy: -96.261 flat angles P-C4'-P energy: -57.463 tors. eta vs tors. theta energy: -90.181 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: 7, replica: 10 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -944.631821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.631821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.631821 (E_RNA) where: Base-Base interactions energy: -537.269 where: short stacking energy: -270.109 Base-Backbone interact. energy: 1.291 local terms energy: -408.653501 where: bonds (distance) C4'-P energy: -86.383 bonds (distance) P-C4' energy: -94.012 flat angles C4'-P-C4' energy: -100.927 flat angles P-C4'-P energy: -67.532 tors. eta vs tors. theta energy: -59.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -711.377039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.377039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.377039 (E_RNA) where: Base-Base interactions energy: -365.856 where: short stacking energy: -225.589 Base-Backbone interact. energy: -1.636 local terms energy: -343.885379 where: bonds (distance) C4'-P energy: -89.898 bonds (distance) P-C4' energy: -101.243 flat angles C4'-P-C4' energy: -84.886 flat angles P-C4'-P energy: -49.778 tors. eta vs tors. theta energy: -18.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -436.700957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.700957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.700957 (E_RNA) where: Base-Base interactions energy: -133.878 where: short stacking energy: -118.465 Base-Backbone interact. energy: 0.315 local terms energy: -303.138226 where: bonds (distance) C4'-P energy: -82.330 bonds (distance) P-C4' energy: -97.877 flat angles C4'-P-C4' energy: -70.568 flat angles P-C4'-P energy: -65.442 tors. eta vs tors. theta energy: 13.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -594.541567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.541567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.541567 (E_RNA) where: Base-Base interactions energy: -274.980 where: short stacking energy: -129.716 Base-Backbone interact. energy: -0.552 local terms energy: -319.008760 where: bonds (distance) C4'-P energy: -98.540 bonds (distance) P-C4' energy: -109.780 flat angles C4'-P-C4' energy: -63.702 flat angles P-C4'-P energy: -60.477 tors. eta vs tors. theta energy: 13.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1928.326713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.326713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.326713 (E_RNA) where: Base-Base interactions energy: -1300.819 where: short stacking energy: -546.615 Base-Backbone interact. energy: -2.435 local terms energy: -625.072715 where: bonds (distance) C4'-P energy: -112.974 bonds (distance) P-C4' energy: -120.221 flat angles C4'-P-C4' energy: -133.306 flat angles P-C4'-P energy: -89.715 tors. eta vs tors. theta energy: -168.856 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: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1817.271625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.271625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.271625 (E_RNA) where: Base-Base interactions energy: -1258.175 where: short stacking energy: -526.772 Base-Backbone interact. energy: -3.234 local terms energy: -555.862756 where: bonds (distance) C4'-P energy: -103.831 bonds (distance) P-C4' energy: -105.969 flat angles C4'-P-C4' energy: -117.786 flat angles P-C4'-P energy: -72.728 tors. eta vs tors. theta energy: -155.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1671.263938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.263938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.263938 (E_RNA) where: Base-Base interactions energy: -1115.013 where: short stacking energy: -486.948 Base-Backbone interact. energy: -0.437 local terms energy: -555.814240 where: bonds (distance) C4'-P energy: -103.956 bonds (distance) P-C4' energy: -115.417 flat angles C4'-P-C4' energy: -121.298 flat angles P-C4'-P energy: -67.592 tors. eta vs tors. theta energy: -147.550 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: 404 Temperature: 1.050000 Total energy: -1567.628814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.628814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.628814 (E_RNA) where: Base-Base interactions energy: -1057.211 where: short stacking energy: -475.616 Base-Backbone interact. energy: 0.063 local terms energy: -510.481553 where: bonds (distance) C4'-P energy: -100.053 bonds (distance) P-C4' energy: -97.429 flat angles C4'-P-C4' energy: -114.729 flat angles P-C4'-P energy: -61.018 tors. eta vs tors. theta energy: -137.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1361.315305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.315305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.315305 (E_RNA) where: Base-Base interactions energy: -888.425 where: short stacking energy: -390.792 Base-Backbone interact. energy: -2.522 local terms energy: -470.368342 where: bonds (distance) C4'-P energy: -93.044 bonds (distance) P-C4' energy: -100.629 flat angles C4'-P-C4' energy: -104.628 flat angles P-C4'-P energy: -59.411 tors. eta vs tors. theta energy: -112.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1131.949598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.949598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.949598 (E_RNA) where: Base-Base interactions energy: -733.216 where: short stacking energy: -341.257 Base-Backbone interact. energy: -0.466 local terms energy: -398.267406 where: bonds (distance) C4'-P energy: -82.400 bonds (distance) P-C4' energy: -81.895 flat angles C4'-P-C4' energy: -100.056 flat angles P-C4'-P energy: -48.597 tors. eta vs tors. theta energy: -85.319 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: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1005.684736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.684736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.684736 (E_RNA) where: Base-Base interactions energy: -592.538 where: short stacking energy: -321.919 Base-Backbone interact. energy: 1.499 local terms energy: -414.645579 where: bonds (distance) C4'-P energy: -73.442 bonds (distance) P-C4' energy: -107.203 flat angles C4'-P-C4' energy: -91.901 flat angles P-C4'-P energy: -70.005 tors. eta vs tors. theta energy: -72.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -692.431178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.431178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.431178 (E_RNA) where: Base-Base interactions energy: -359.896 where: short stacking energy: -186.231 Base-Backbone interact. energy: -2.566 local terms energy: -329.969795 where: bonds (distance) C4'-P energy: -96.942 bonds (distance) P-C4' energy: -90.153 flat angles C4'-P-C4' energy: -90.490 flat angles P-C4'-P energy: -43.673 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -611.751976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.751976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.751976 (E_RNA) where: Base-Base interactions energy: -279.812 where: short stacking energy: -185.213 Base-Backbone interact. energy: -0.831 local terms energy: -331.108520 where: bonds (distance) C4'-P energy: -88.390 bonds (distance) P-C4' energy: -85.633 flat angles C4'-P-C4' energy: -81.750 flat angles P-C4'-P energy: -59.905 tors. eta vs tors. theta energy: -15.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -456.472568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.472568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.472568 (E_RNA) where: Base-Base interactions energy: -132.664 where: short stacking energy: -130.856 Base-Backbone interact. energy: -1.095 local terms energy: -322.713616 where: bonds (distance) C4'-P energy: -87.765 bonds (distance) P-C4' energy: -100.366 flat angles C4'-P-C4' energy: -88.569 flat angles P-C4'-P energy: -45.989 tors. eta vs tors. theta energy: -0.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1917.523652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.523652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.523652 (E_RNA) where: Base-Base interactions energy: -1307.610 where: short stacking energy: -559.653 Base-Backbone interact. energy: -3.217 local terms energy: -606.697010 where: bonds (distance) C4'-P energy: -117.237 bonds (distance) P-C4' energy: -106.687 flat angles C4'-P-C4' energy: -135.781 flat angles P-C4'-P energy: -80.783 tors. eta vs tors. theta energy: -166.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1825.042885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.042885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.042885 (E_RNA) where: Base-Base interactions energy: -1273.637 where: short stacking energy: -524.770 Base-Backbone interact. energy: -2.323 local terms energy: -549.082957 where: bonds (distance) C4'-P energy: -116.680 bonds (distance) P-C4' energy: -103.521 flat angles C4'-P-C4' energy: -120.060 flat angles P-C4'-P energy: -58.613 tors. eta vs tors. theta energy: -150.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1702.206119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.206119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.206119 (E_RNA) where: Base-Base interactions energy: -1156.776 where: short stacking energy: -504.459 Base-Backbone interact. energy: -2.561 local terms energy: -542.868918 where: bonds (distance) C4'-P energy: -99.934 bonds (distance) P-C4' energy: -93.943 flat angles C4'-P-C4' energy: -111.760 flat angles P-C4'-P energy: -81.982 tors. eta vs tors. theta energy: -155.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1533.494040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.494040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.494040 (E_RNA) where: Base-Base interactions energy: -1013.495 where: short stacking energy: -454.253 Base-Backbone interact. energy: -0.820 local terms energy: -519.179179 where: bonds (distance) C4'-P energy: -109.798 bonds (distance) P-C4' energy: -96.871 flat angles C4'-P-C4' energy: -123.898 flat angles P-C4'-P energy: -67.675 tors. eta vs tors. theta energy: -120.937 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: 8 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1437.009202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.009202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.009202 (E_RNA) where: Base-Base interactions energy: -952.721 where: short stacking energy: -399.210 Base-Backbone interact. energy: -2.065 local terms energy: -482.223326 where: bonds (distance) C4'-P energy: -110.641 bonds (distance) P-C4' energy: -83.309 flat angles C4'-P-C4' energy: -108.297 flat angles P-C4'-P energy: -60.330 tors. eta vs tors. theta energy: -119.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1168.615396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.615396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.615396 (E_RNA) where: Base-Base interactions energy: -727.296 where: short stacking energy: -322.540 Base-Backbone interact. energy: -2.090 local terms energy: -439.229229 where: bonds (distance) C4'-P energy: -86.113 bonds (distance) P-C4' energy: -114.664 flat angles C4'-P-C4' energy: -89.668 flat angles P-C4'-P energy: -69.671 tors. eta vs tors. theta energy: -79.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -962.475494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.475494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.475494 (E_RNA) where: Base-Base interactions energy: -560.956 where: short stacking energy: -266.743 Base-Backbone interact. energy: 2.802 local terms energy: -404.321050 where: bonds (distance) C4'-P energy: -102.735 bonds (distance) P-C4' energy: -107.314 flat angles C4'-P-C4' energy: -86.365 flat angles P-C4'-P energy: -48.191 tors. eta vs tors. theta energy: -59.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -629.809214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.809214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.809214 (E_RNA) where: Base-Base interactions energy: -306.613 where: short stacking energy: -185.257 Base-Backbone interact. energy: -0.648 local terms energy: -322.547991 where: bonds (distance) C4'-P energy: -97.429 bonds (distance) P-C4' energy: -85.950 flat angles C4'-P-C4' energy: -86.138 flat angles P-C4'-P energy: -39.272 tors. eta vs tors. theta energy: -13.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -613.806884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.806884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.806884 (E_RNA) where: Base-Base interactions energy: -284.361 where: short stacking energy: -179.541 Base-Backbone interact. energy: 2.928 local terms energy: -332.374195 where: bonds (distance) C4'-P energy: -86.360 bonds (distance) P-C4' energy: -104.834 flat angles C4'-P-C4' energy: -80.153 flat angles P-C4'-P energy: -47.369 tors. eta vs tors. theta energy: -13.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -447.738071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.738071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.738071 (E_RNA) where: Base-Base interactions energy: -158.886 where: short stacking energy: -124.857 Base-Backbone interact. energy: 1.479 local terms energy: -290.330380 where: bonds (distance) C4'-P energy: -80.155 bonds (distance) P-C4' energy: -101.368 flat angles C4'-P-C4' energy: -64.802 flat angles P-C4'-P energy: -54.573 tors. eta vs tors. theta energy: 10.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1900.215161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.215161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.215161 (E_RNA) where: Base-Base interactions energy: -1316.421 where: short stacking energy: -542.698 Base-Backbone interact. energy: 0.948 local terms energy: -584.742275 where: bonds (distance) C4'-P energy: -102.227 bonds (distance) P-C4' energy: -106.158 flat angles C4'-P-C4' energy: -123.225 flat angles P-C4'-P energy: -84.320 tors. eta vs tors. theta energy: -168.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1795.337295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.337295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.337295 (E_RNA) where: Base-Base interactions energy: -1221.680 where: short stacking energy: -499.945 Base-Backbone interact. energy: -0.677 local terms energy: -572.980684 where: bonds (distance) C4'-P energy: -111.795 bonds (distance) P-C4' energy: -108.243 flat angles C4'-P-C4' energy: -120.584 flat angles P-C4'-P energy: -76.551 tors. eta vs tors. theta energy: -155.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1682.796242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.796242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.796242 (E_RNA) where: Base-Base interactions energy: -1100.386 where: short stacking energy: -483.159 Base-Backbone interact. energy: -4.734 local terms energy: -577.675673 where: bonds (distance) C4'-P energy: -111.466 bonds (distance) P-C4' energy: -119.783 flat angles C4'-P-C4' energy: -126.720 flat angles P-C4'-P energy: -75.836 tors. eta vs tors. theta energy: -143.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1565.721060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.721060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.721060 (E_RNA) where: Base-Base interactions energy: -1065.469 where: short stacking energy: -449.076 Base-Backbone interact. energy: 0.392 local terms energy: -500.644101 where: bonds (distance) C4'-P energy: -101.362 bonds (distance) P-C4' energy: -101.980 flat angles C4'-P-C4' energy: -100.488 flat angles P-C4'-P energy: -69.530 tors. eta vs tors. theta energy: -127.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1383.590104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.590104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.590104 (E_RNA) where: Base-Base interactions energy: -901.917 where: short stacking energy: -386.373 Base-Backbone interact. energy: -2.494 local terms energy: -479.178731 where: bonds (distance) C4'-P energy: -79.730 bonds (distance) P-C4' energy: -105.533 flat angles C4'-P-C4' energy: -116.189 flat angles P-C4'-P energy: -68.508 tors. eta vs tors. theta energy: -109.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1076.750341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.750341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.750341 (E_RNA) where: Base-Base interactions energy: -657.738 where: short stacking energy: -279.271 Base-Backbone interact. energy: -2.974 local terms energy: -416.039108 where: bonds (distance) C4'-P energy: -86.602 bonds (distance) P-C4' energy: -105.574 flat angles C4'-P-C4' energy: -105.263 flat angles P-C4'-P energy: -60.956 tors. eta vs tors. theta energy: -57.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -941.950578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.950578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.950578 (E_RNA) where: Base-Base interactions energy: -562.048 where: short stacking energy: -248.835 Base-Backbone interact. energy: -2.226 local terms energy: -377.677255 where: bonds (distance) C4'-P energy: -103.286 bonds (distance) P-C4' energy: -96.919 flat angles C4'-P-C4' energy: -76.152 flat angles P-C4'-P energy: -57.749 tors. eta vs tors. theta energy: -43.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -760.473185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.473185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.473185 (E_RNA) where: Base-Base interactions energy: -401.440 where: short stacking energy: -206.398 Base-Backbone interact. energy: 4.161 local terms energy: -363.193744 where: bonds (distance) C4'-P energy: -94.872 bonds (distance) P-C4' energy: -104.237 flat angles C4'-P-C4' energy: -85.950 flat angles P-C4'-P energy: -59.568 tors. eta vs tors. theta energy: -18.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -645.155328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.155328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.155328 (E_RNA) where: Base-Base interactions energy: -324.525 where: short stacking energy: -188.136 Base-Backbone interact. energy: -2.134 local terms energy: -318.497010 where: bonds (distance) C4'-P energy: -88.344 bonds (distance) P-C4' energy: -83.350 flat angles C4'-P-C4' energy: -87.288 flat angles P-C4'-P energy: -49.236 tors. eta vs tors. theta energy: -10.279 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: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -429.375722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.375722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.375722 (E_RNA) where: Base-Base interactions energy: -146.994 where: short stacking energy: -130.573 Base-Backbone interact. energy: 6.663 local terms energy: -289.044850 where: bonds (distance) C4'-P energy: -91.084 bonds (distance) P-C4' energy: -78.412 flat angles C4'-P-C4' energy: -91.757 flat angles P-C4'-P energy: -35.153 tors. eta vs tors. theta energy: 7.362 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: 407 Temperature: 0.900000 Total energy: -1898.721812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.721812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.721812 (E_RNA) where: Base-Base interactions energy: -1305.574 where: short stacking energy: -548.511 Base-Backbone interact. energy: -0.556 local terms energy: -592.591150 where: bonds (distance) C4'-P energy: -104.672 bonds (distance) P-C4' energy: -107.932 flat angles C4'-P-C4' energy: -128.131 flat angles P-C4'-P energy: -83.675 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: 2, replica: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1838.787215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.787215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.787215 (E_RNA) where: Base-Base interactions energy: -1280.317 where: short stacking energy: -521.440 Base-Backbone interact. energy: -0.756 local terms energy: -557.714063 where: bonds (distance) C4'-P energy: -110.392 bonds (distance) P-C4' energy: -92.111 flat angles C4'-P-C4' energy: -132.879 flat angles P-C4'-P energy: -78.993 tors. eta vs tors. theta energy: -143.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1673.041825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.041825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.041825 (E_RNA) where: Base-Base interactions energy: -1132.684 where: short stacking energy: -473.052 Base-Backbone interact. energy: -0.166 local terms energy: -540.192090 where: bonds (distance) C4'-P energy: -103.225 bonds (distance) P-C4' energy: -106.179 flat angles C4'-P-C4' energy: -114.227 flat angles P-C4'-P energy: -82.171 tors. eta vs tors. theta energy: -134.390 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: 407 Temperature: 1.050000 Total energy: -1564.876171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.876171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.876171 (E_RNA) where: Base-Base interactions energy: -1056.265 where: short stacking energy: -436.125 Base-Backbone interact. energy: -1.632 local terms energy: -506.978716 where: bonds (distance) C4'-P energy: -90.298 bonds (distance) P-C4' energy: -99.787 flat angles C4'-P-C4' energy: -111.050 flat angles P-C4'-P energy: -82.148 tors. eta vs tors. theta energy: -123.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1404.583021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.583021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.583021 (E_RNA) where: Base-Base interactions energy: -945.354 where: short stacking energy: -412.571 Base-Backbone interact. energy: -0.711 local terms energy: -458.517628 where: bonds (distance) C4'-P energy: -92.289 bonds (distance) P-C4' energy: -90.027 flat angles C4'-P-C4' energy: -100.220 flat angles P-C4'-P energy: -66.134 tors. eta vs tors. theta energy: -109.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1126.953034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.953034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.953034 (E_RNA) where: Base-Base interactions energy: -707.834 where: short stacking energy: -319.510 Base-Backbone interact. energy: -1.446 local terms energy: -417.672435 where: bonds (distance) C4'-P energy: -103.312 bonds (distance) P-C4' energy: -81.561 flat angles C4'-P-C4' energy: -101.714 flat angles P-C4'-P energy: -62.835 tors. eta vs tors. theta energy: -68.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1049.101562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.101562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.101562 (E_RNA) where: Base-Base interactions energy: -657.184 where: short stacking energy: -297.164 Base-Backbone interact. energy: -2.251 local terms energy: -389.666489 where: bonds (distance) C4'-P energy: -90.326 bonds (distance) P-C4' energy: -103.946 flat angles C4'-P-C4' energy: -96.658 flat angles P-C4'-P energy: -43.814 tors. eta vs tors. theta energy: -54.922 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: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -694.330072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.330072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.330072 (E_RNA) where: Base-Base interactions energy: -352.848 where: short stacking energy: -214.697 Base-Backbone interact. energy: 0.624 local terms energy: -342.105615 where: bonds (distance) C4'-P energy: -97.517 bonds (distance) P-C4' energy: -84.624 flat angles C4'-P-C4' energy: -95.340 flat angles P-C4'-P energy: -51.874 tors. eta vs tors. theta energy: -12.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -617.200561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.200561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.200561 (E_RNA) where: Base-Base interactions energy: -284.531 where: short stacking energy: -163.510 Base-Backbone interact. energy: -0.831 local terms energy: -331.838204 where: bonds (distance) C4'-P energy: -96.698 bonds (distance) P-C4' energy: -90.201 flat angles C4'-P-C4' energy: -85.657 flat angles P-C4'-P energy: -52.243 tors. eta vs tors. theta energy: -7.040 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: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -431.508109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.508109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.508109 (E_RNA) where: Base-Base interactions energy: -162.896 where: short stacking energy: -139.295 Base-Backbone interact. energy: -2.466 local terms energy: -266.145777 where: bonds (distance) C4'-P energy: -82.385 bonds (distance) P-C4' energy: -77.962 flat angles C4'-P-C4' energy: -81.856 flat angles P-C4'-P energy: -34.582 tors. eta vs tors. theta energy: 10.638 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: 7 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1904.663746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.663746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.663746 (E_RNA) where: Base-Base interactions energy: -1295.178 where: short stacking energy: -532.154 Base-Backbone interact. energy: -1.318 local terms energy: -608.167375 where: bonds (distance) C4'-P energy: -110.240 bonds (distance) P-C4' energy: -114.024 flat angles C4'-P-C4' energy: -136.557 flat angles P-C4'-P energy: -76.730 tors. eta vs tors. theta energy: -170.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1843.570886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.570886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.570886 (E_RNA) where: Base-Base interactions energy: -1282.068 where: short stacking energy: -530.529 Base-Backbone interact. energy: -2.624 local terms energy: -558.878784 where: bonds (distance) C4'-P energy: -102.652 bonds (distance) P-C4' energy: -101.452 flat angles C4'-P-C4' energy: -129.268 flat angles P-C4'-P energy: -69.712 tors. eta vs tors. theta energy: -155.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1667.833089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.833089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.833089 (E_RNA) where: Base-Base interactions energy: -1152.102 where: short stacking energy: -508.669 Base-Backbone interact. energy: 2.421 local terms energy: -518.152319 where: bonds (distance) C4'-P energy: -92.745 bonds (distance) P-C4' energy: -100.269 flat angles C4'-P-C4' energy: -111.057 flat angles P-C4'-P energy: -67.716 tors. eta vs tors. theta energy: -146.365 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: 408 Temperature: 1.050000 Total energy: -1588.743119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.743119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.743119 (E_RNA) where: Base-Base interactions energy: -1072.051 where: short stacking energy: -463.197 Base-Backbone interact. energy: 0.816 local terms energy: -517.508287 where: bonds (distance) C4'-P energy: -107.246 bonds (distance) P-C4' energy: -103.217 flat angles C4'-P-C4' energy: -109.642 flat angles P-C4'-P energy: -79.790 tors. eta vs tors. theta energy: -117.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1382.501165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.501165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.501165 (E_RNA) where: Base-Base interactions energy: -897.504 where: short stacking energy: -402.786 Base-Backbone interact. energy: -0.504 local terms energy: -484.493721 where: bonds (distance) C4'-P energy: -102.568 bonds (distance) P-C4' energy: -91.794 flat angles C4'-P-C4' energy: -101.337 flat angles P-C4'-P energy: -75.460 tors. eta vs tors. theta energy: -113.335 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: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1128.346855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.346855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.346855 (E_RNA) where: Base-Base interactions energy: -686.980 where: short stacking energy: -328.745 Base-Backbone interact. energy: -1.190 local terms energy: -440.176346 where: bonds (distance) C4'-P energy: -91.820 bonds (distance) P-C4' energy: -91.097 flat angles C4'-P-C4' energy: -107.104 flat angles P-C4'-P energy: -75.191 tors. eta vs tors. theta energy: -74.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1050.574752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.574752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.574752 (E_RNA) where: Base-Base interactions energy: -619.996 where: short stacking energy: -290.045 Base-Backbone interact. energy: -2.102 local terms energy: -428.476753 where: bonds (distance) C4'-P energy: -79.758 bonds (distance) P-C4' energy: -124.110 flat angles C4'-P-C4' energy: -90.665 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: -71.235 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: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -553.106147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.106147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.106147 (E_RNA) where: Base-Base interactions energy: -212.445 where: short stacking energy: -144.232 Base-Backbone interact. energy: -0.336 local terms energy: -340.324911 where: bonds (distance) C4'-P energy: -100.668 bonds (distance) P-C4' energy: -100.835 flat angles C4'-P-C4' energy: -75.618 flat angles P-C4'-P energy: -71.585 tors. eta vs tors. theta energy: 8.381 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: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -636.930113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.930113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.930113 (E_RNA) where: Base-Base interactions energy: -293.135 where: short stacking energy: -174.977 Base-Backbone interact. energy: -2.056 local terms energy: -341.739034 where: bonds (distance) C4'-P energy: -113.772 bonds (distance) P-C4' energy: -92.079 flat angles C4'-P-C4' energy: -91.843 flat angles P-C4'-P energy: -44.039 tors. eta vs tors. theta energy: -0.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -428.664900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.664900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.664900 (E_RNA) where: Base-Base interactions energy: -163.830 where: short stacking energy: -117.134 Base-Backbone interact. energy: -0.034 local terms energy: -264.800678 where: bonds (distance) C4'-P energy: -92.028 bonds (distance) P-C4' energy: -86.332 flat angles C4'-P-C4' energy: -75.254 flat angles P-C4'-P energy: -40.659 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: 409 Temperature: 0.900000 Total energy: -1896.131475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.131475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.131475 (E_RNA) where: Base-Base interactions energy: -1303.307 where: short stacking energy: -565.951 Base-Backbone interact. energy: -0.963 local terms energy: -591.861337 where: bonds (distance) C4'-P energy: -117.770 bonds (distance) P-C4' energy: -98.137 flat angles C4'-P-C4' energy: -128.285 flat angles P-C4'-P energy: -80.627 tors. eta vs tors. theta energy: -167.043 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: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1844.625878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.625878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.625878 (E_RNA) where: Base-Base interactions energy: -1260.688 where: short stacking energy: -539.051 Base-Backbone interact. energy: 0.502 local terms energy: -584.439873 where: bonds (distance) C4'-P energy: -111.726 bonds (distance) P-C4' energy: -106.968 flat angles C4'-P-C4' energy: -126.024 flat angles P-C4'-P energy: -87.244 tors. eta vs tors. theta energy: -152.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1688.978743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.978743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.978743 (E_RNA) where: Base-Base interactions energy: -1115.110 where: short stacking energy: -517.914 Base-Backbone interact. energy: -3.820 local terms energy: -570.048871 where: bonds (distance) C4'-P energy: -114.865 bonds (distance) P-C4' energy: -115.931 flat angles C4'-P-C4' energy: -117.108 flat angles P-C4'-P energy: -71.367 tors. eta vs tors. theta energy: -150.778 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: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1580.925416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.925416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.925416 (E_RNA) where: Base-Base interactions energy: -1105.851 where: short stacking energy: -477.698 Base-Backbone interact. energy: -0.712 local terms energy: -474.361856 where: bonds (distance) C4'-P energy: -76.361 bonds (distance) P-C4' energy: -92.970 flat angles C4'-P-C4' energy: -113.949 flat angles P-C4'-P energy: -59.294 tors. eta vs tors. theta energy: -131.789 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: 8 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1384.224015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.224015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.224015 (E_RNA) where: Base-Base interactions energy: -902.748 where: short stacking energy: -402.622 Base-Backbone interact. energy: -1.395 local terms energy: -480.080234 where: bonds (distance) C4'-P energy: -107.558 bonds (distance) P-C4' energy: -105.683 flat angles C4'-P-C4' energy: -101.592 flat angles P-C4'-P energy: -52.779 tors. eta vs tors. theta energy: -112.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1118.501107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.501107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.501107 (E_RNA) where: Base-Base interactions energy: -685.126 where: short stacking energy: -312.774 Base-Backbone interact. energy: -2.019 local terms energy: -431.356272 where: bonds (distance) C4'-P energy: -96.526 bonds (distance) P-C4' energy: -101.615 flat angles C4'-P-C4' energy: -100.633 flat angles P-C4'-P energy: -64.013 tors. eta vs tors. theta energy: -68.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1032.290696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.290696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.290696 (E_RNA) where: Base-Base interactions energy: -618.093 where: short stacking energy: -314.238 Base-Backbone interact. energy: -2.327 local terms energy: -411.870641 where: bonds (distance) C4'-P energy: -86.734 bonds (distance) P-C4' energy: -93.347 flat angles C4'-P-C4' energy: -99.491 flat angles P-C4'-P energy: -64.802 tors. eta vs tors. theta energy: -67.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -673.822754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.822754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.822754 (E_RNA) where: Base-Base interactions energy: -337.075 where: short stacking energy: -181.325 Base-Backbone interact. energy: -2.191 local terms energy: -334.556844 where: bonds (distance) C4'-P energy: -94.039 bonds (distance) P-C4' energy: -71.070 flat angles C4'-P-C4' energy: -100.969 flat angles P-C4'-P energy: -51.607 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: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -476.644831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.644831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.644831 (E_RNA) where: Base-Base interactions energy: -217.069 where: short stacking energy: -137.322 Base-Backbone interact. energy: -0.880 local terms energy: -258.696208 where: bonds (distance) C4'-P energy: -86.887 bonds (distance) P-C4' energy: -75.783 flat angles C4'-P-C4' energy: -80.884 flat angles P-C4'-P energy: -39.156 tors. eta vs tors. theta energy: 24.014 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: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -446.004671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.004671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.004671 (E_RNA) where: Base-Base interactions energy: -164.323 where: short stacking energy: -130.319 Base-Backbone interact. energy: 2.291 local terms energy: -283.972236 where: bonds (distance) C4'-P energy: -91.954 bonds (distance) P-C4' energy: -97.783 flat angles C4'-P-C4' energy: -81.630 flat angles P-C4'-P energy: -42.111 tors. eta vs tors. theta energy: 29.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1905.383742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.383742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.383742 (E_RNA) where: Base-Base interactions energy: -1310.096 where: short stacking energy: -553.702 Base-Backbone interact. energy: 0.056 local terms energy: -595.343952 where: bonds (distance) C4'-P energy: -106.343 bonds (distance) P-C4' energy: -113.856 flat angles C4'-P-C4' energy: -125.480 flat angles P-C4'-P energy: -80.704 tors. eta vs tors. theta energy: -168.961 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: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1799.273365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.273365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.273365 (E_RNA) where: Base-Base interactions energy: -1239.627 where: short stacking energy: -509.930 Base-Backbone interact. energy: -2.205 local terms energy: -557.441627 where: bonds (distance) C4'-P energy: -113.903 bonds (distance) P-C4' energy: -118.478 flat angles C4'-P-C4' energy: -100.586 flat angles P-C4'-P energy: -78.098 tors. eta vs tors. theta energy: -146.377 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: 3, replica: 1 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1708.468280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.468280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.468280 (E_RNA) where: Base-Base interactions energy: -1165.917 where: short stacking energy: -502.296 Base-Backbone interact. energy: 1.561 local terms energy: -544.112060 where: bonds (distance) C4'-P energy: -102.504 bonds (distance) P-C4' energy: -105.963 flat angles C4'-P-C4' energy: -114.314 flat angles P-C4'-P energy: -69.428 tors. eta vs tors. theta energy: -151.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1576.196413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.196413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.196413 (E_RNA) where: Base-Base interactions energy: -1059.038 where: short stacking energy: -452.524 Base-Backbone interact. energy: -3.136 local terms energy: -514.021711 where: bonds (distance) C4'-P energy: -96.595 bonds (distance) P-C4' energy: -119.613 flat angles C4'-P-C4' energy: -105.809 flat angles P-C4'-P energy: -68.798 tors. eta vs tors. theta energy: -123.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1387.417214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.417214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.417214 (E_RNA) where: Base-Base interactions energy: -910.737 where: short stacking energy: -404.144 Base-Backbone interact. energy: -1.280 local terms energy: -475.400579 where: bonds (distance) C4'-P energy: -106.628 bonds (distance) P-C4' energy: -100.747 flat angles C4'-P-C4' energy: -105.460 flat angles P-C4'-P energy: -53.765 tors. eta vs tors. theta energy: -108.801 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: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1099.635408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.635408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.635408 (E_RNA) where: Base-Base interactions energy: -653.321 where: short stacking energy: -319.505 Base-Backbone interact. energy: -0.082 local terms energy: -446.232818 where: bonds (distance) C4'-P energy: -102.708 bonds (distance) P-C4' energy: -107.955 flat angles C4'-P-C4' energy: -104.542 flat angles P-C4'-P energy: -65.807 tors. eta vs tors. theta energy: -65.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1119.372145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.372145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.372145 (E_RNA) where: Base-Base interactions energy: -692.930 where: short stacking energy: -350.839 Base-Backbone interact. energy: 0.616 local terms energy: -427.057244 where: bonds (distance) C4'-P energy: -77.638 bonds (distance) P-C4' energy: -99.213 flat angles C4'-P-C4' energy: -104.658 flat angles P-C4'-P energy: -64.793 tors. eta vs tors. theta energy: -80.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -654.625596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.625596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.625596 (E_RNA) where: Base-Base interactions energy: -325.455 where: short stacking energy: -176.528 Base-Backbone interact. energy: -2.458 local terms energy: -326.713194 where: bonds (distance) C4'-P energy: -101.157 bonds (distance) P-C4' energy: -97.697 flat angles C4'-P-C4' energy: -81.599 flat angles P-C4'-P energy: -33.782 tors. eta vs tors. theta energy: -12.479 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: 4 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -491.554449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.554449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.554449 (E_RNA) where: Base-Base interactions energy: -188.730 where: short stacking energy: -163.619 Base-Backbone interact. energy: 4.269 local terms energy: -307.093933 where: bonds (distance) C4'-P energy: -76.934 bonds (distance) P-C4' energy: -99.800 flat angles C4'-P-C4' energy: -88.574 flat angles P-C4'-P energy: -53.474 tors. eta vs tors. theta energy: 11.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -459.371975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.371975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.371975 (E_RNA) where: Base-Base interactions energy: -159.739 where: short stacking energy: -145.443 Base-Backbone interact. energy: 6.269 local terms energy: -305.901854 where: bonds (distance) C4'-P energy: -93.024 bonds (distance) P-C4' energy: -87.587 flat angles C4'-P-C4' energy: -74.636 flat angles P-C4'-P energy: -66.293 tors. eta vs tors. theta energy: 15.638 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: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1919.542321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.542321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.542321 (E_RNA) where: Base-Base interactions energy: -1310.340 where: short stacking energy: -551.357 Base-Backbone interact. energy: 1.620 local terms energy: -610.821833 where: bonds (distance) C4'-P energy: -105.662 bonds (distance) P-C4' energy: -119.904 flat angles C4'-P-C4' energy: -134.782 flat angles P-C4'-P energy: -82.681 tors. eta vs tors. theta energy: -167.792 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: 411 Temperature: 0.950000 Total energy: -1759.267135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.267135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.267135 (E_RNA) where: Base-Base interactions energy: -1187.879 where: short stacking energy: -516.806 Base-Backbone interact. energy: -4.244 local terms energy: -567.144428 where: bonds (distance) C4'-P energy: -106.545 bonds (distance) P-C4' energy: -104.038 flat angles C4'-P-C4' energy: -123.136 flat angles P-C4'-P energy: -79.200 tors. eta vs tors. theta energy: -154.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1731.969205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.969205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.969205 (E_RNA) where: Base-Base interactions energy: -1181.623 where: short stacking energy: -484.094 Base-Backbone interact. energy: -0.354 local terms energy: -549.992388 where: bonds (distance) C4'-P energy: -111.667 bonds (distance) P-C4' energy: -109.349 flat angles C4'-P-C4' energy: -119.288 flat angles P-C4'-P energy: -71.227 tors. eta vs tors. theta energy: -138.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1638.070611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.070611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.070611 (E_RNA) where: Base-Base interactions energy: -1104.731 where: short stacking energy: -479.275 Base-Backbone interact. energy: -2.638 local terms energy: -530.701733 where: bonds (distance) C4'-P energy: -97.320 bonds (distance) P-C4' energy: -107.595 flat angles C4'-P-C4' energy: -110.979 flat angles P-C4'-P energy: -76.815 tors. eta vs tors. theta energy: -137.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1367.022991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.022991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.022991 (E_RNA) where: Base-Base interactions energy: -887.825 where: short stacking energy: -397.895 Base-Backbone interact. energy: 1.333 local terms energy: -480.531072 where: bonds (distance) C4'-P energy: -102.869 bonds (distance) P-C4' energy: -100.714 flat angles C4'-P-C4' energy: -96.822 flat angles P-C4'-P energy: -66.757 tors. eta vs tors. theta energy: -113.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1098.706243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.706243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.706243 (E_RNA) where: Base-Base interactions energy: -689.888 where: short stacking energy: -302.392 Base-Backbone interact. energy: -1.927 local terms energy: -406.891356 where: bonds (distance) C4'-P energy: -91.311 bonds (distance) P-C4' energy: -96.065 flat angles C4'-P-C4' energy: -101.028 flat angles P-C4'-P energy: -51.218 tors. eta vs tors. theta energy: -67.270 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: 7, replica: 10 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1078.733084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.733084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.733084 (E_RNA) where: Base-Base interactions energy: -650.260 where: short stacking energy: -304.503 Base-Backbone interact. energy: 2.968 local terms energy: -431.441216 where: bonds (distance) C4'-P energy: -100.326 bonds (distance) P-C4' energy: -89.980 flat angles C4'-P-C4' energy: -113.177 flat angles P-C4'-P energy: -58.597 tors. eta vs tors. theta energy: -69.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -706.773331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.773331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.773331 (E_RNA) where: Base-Base interactions energy: -351.407 where: short stacking energy: -222.179 Base-Backbone interact. energy: -1.732 local terms energy: -353.634182 where: bonds (distance) C4'-P energy: -91.761 bonds (distance) P-C4' energy: -87.785 flat angles C4'-P-C4' energy: -86.037 flat angles P-C4'-P energy: -59.491 tors. eta vs tors. theta energy: -28.560 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: 4 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -494.376097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.376097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.376097 (E_RNA) where: Base-Base interactions energy: -240.385 where: short stacking energy: -129.897 Base-Backbone interact. energy: 0.356 local terms energy: -254.347045 where: bonds (distance) C4'-P energy: -76.460 bonds (distance) P-C4' energy: -83.590 flat angles C4'-P-C4' energy: -76.229 flat angles P-C4'-P energy: -31.075 tors. eta vs tors. theta energy: 13.007 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: 411 Temperature: 1.350000 Total energy: -415.827494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.827494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.827494 (E_RNA) where: Base-Base interactions energy: -132.332 where: short stacking energy: -112.378 Base-Backbone interact. energy: 0.823 local terms energy: -284.318897 where: bonds (distance) C4'-P energy: -81.505 bonds (distance) P-C4' energy: -112.280 flat angles C4'-P-C4' energy: -71.336 flat angles P-C4'-P energy: -45.278 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: 1, replica: 7 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1885.036314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.036314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.036314 (E_RNA) where: Base-Base interactions energy: -1301.115 where: short stacking energy: -548.352 Base-Backbone interact. energy: -0.224 local terms energy: -583.697434 where: bonds (distance) C4'-P energy: -106.503 bonds (distance) P-C4' energy: -107.251 flat angles C4'-P-C4' energy: -120.200 flat angles P-C4'-P energy: -86.191 tors. eta vs tors. theta energy: -163.553 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: 412 Temperature: 0.950000 Total energy: -1744.995279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.995279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.995279 (E_RNA) where: Base-Base interactions energy: -1173.752 where: short stacking energy: -501.750 Base-Backbone interact. energy: -4.756 local terms energy: -566.487359 where: bonds (distance) C4'-P energy: -102.801 bonds (distance) P-C4' energy: -114.338 flat angles C4'-P-C4' energy: -124.913 flat angles P-C4'-P energy: -79.047 tors. eta vs tors. theta energy: -145.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1744.717289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.717289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.717289 (E_RNA) where: Base-Base interactions energy: -1213.606 where: short stacking energy: -487.799 Base-Backbone interact. energy: 4.850 local terms energy: -535.961370 where: bonds (distance) C4'-P energy: -106.490 bonds (distance) P-C4' energy: -104.742 flat angles C4'-P-C4' energy: -121.652 flat angles P-C4'-P energy: -71.788 tors. eta vs tors. theta energy: -131.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1592.582253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.582253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.582253 (E_RNA) where: Base-Base interactions energy: -1064.680 where: short stacking energy: -459.899 Base-Backbone interact. energy: -3.074 local terms energy: -524.828238 where: bonds (distance) C4'-P energy: -89.829 bonds (distance) P-C4' energy: -109.218 flat angles C4'-P-C4' energy: -114.501 flat angles P-C4'-P energy: -71.342 tors. eta vs tors. theta energy: -139.938 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: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1369.780191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.780191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.780191 (E_RNA) where: Base-Base interactions energy: -876.744 where: short stacking energy: -384.027 Base-Backbone interact. energy: -3.044 local terms energy: -489.992637 where: bonds (distance) C4'-P energy: -95.384 bonds (distance) P-C4' energy: -111.458 flat angles C4'-P-C4' energy: -113.158 flat angles P-C4'-P energy: -69.000 tors. eta vs tors. theta energy: -100.993 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: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1123.717133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.717133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.717133 (E_RNA) where: Base-Base interactions energy: -711.083 where: short stacking energy: -331.498 Base-Backbone interact. energy: 0.656 local terms energy: -413.290366 where: bonds (distance) C4'-P energy: -96.737 bonds (distance) P-C4' energy: -96.477 flat angles C4'-P-C4' energy: -84.496 flat angles P-C4'-P energy: -60.753 tors. eta vs tors. theta energy: -74.828 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: 7, replica: 10 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1046.531983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.531983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.531983 (E_RNA) where: Base-Base interactions energy: -630.041 where: short stacking energy: -313.997 Base-Backbone interact. energy: -2.083 local terms energy: -414.407973 where: bonds (distance) C4'-P energy: -96.202 bonds (distance) P-C4' energy: -86.850 flat angles C4'-P-C4' energy: -99.595 flat angles P-C4'-P energy: -63.371 tors. eta vs tors. theta energy: -68.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -685.671793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.671793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.671793 (E_RNA) where: Base-Base interactions energy: -322.787 where: short stacking energy: -179.714 Base-Backbone interact. energy: 1.375 local terms energy: -364.259663 where: bonds (distance) C4'-P energy: -96.881 bonds (distance) P-C4' energy: -99.053 flat angles C4'-P-C4' energy: -86.346 flat angles P-C4'-P energy: -62.809 tors. eta vs tors. theta energy: -19.170 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: 4 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -471.608625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.608625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.608625 (E_RNA) where: Base-Base interactions energy: -177.392 where: short stacking energy: -111.569 Base-Backbone interact. energy: -1.306 local terms energy: -292.911074 where: bonds (distance) C4'-P energy: -84.963 bonds (distance) P-C4' energy: -99.332 flat angles C4'-P-C4' energy: -82.070 flat angles P-C4'-P energy: -56.531 tors. eta vs tors. theta energy: 29.985 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: 412 Temperature: 1.350000 Total energy: -456.372999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.372999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.372999 (E_RNA) where: Base-Base interactions energy: -165.788 where: short stacking energy: -100.235 Base-Backbone interact. energy: -1.956 local terms energy: -288.629042 where: bonds (distance) C4'-P energy: -90.488 bonds (distance) P-C4' energy: -90.882 flat angles C4'-P-C4' energy: -83.030 flat angles P-C4'-P energy: -36.599 tors. eta vs tors. theta energy: 12.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1927.090143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.090143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.090143 (E_RNA) where: Base-Base interactions energy: -1316.237 where: short stacking energy: -567.640 Base-Backbone interact. energy: -0.374 local terms energy: -610.478928 where: bonds (distance) C4'-P energy: -119.066 bonds (distance) P-C4' energy: -118.390 flat angles C4'-P-C4' energy: -117.125 flat angles P-C4'-P energy: -79.098 tors. eta vs tors. theta energy: -176.800 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: 3 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1794.700385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.700385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.700385 (E_RNA) where: Base-Base interactions energy: -1253.150 where: short stacking energy: -523.133 Base-Backbone interact. energy: -1.488 local terms energy: -540.062251 where: bonds (distance) C4'-P energy: -103.943 bonds (distance) P-C4' energy: -101.758 flat angles C4'-P-C4' energy: -107.536 flat angles P-C4'-P energy: -75.869 tors. eta vs tors. theta energy: -150.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1711.610777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.610777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.610777 (E_RNA) where: Base-Base interactions energy: -1173.626 where: short stacking energy: -497.584 Base-Backbone interact. energy: -4.320 local terms energy: -533.665082 where: bonds (distance) C4'-P energy: -121.572 bonds (distance) P-C4' energy: -102.710 flat angles C4'-P-C4' energy: -111.797 flat angles P-C4'-P energy: -65.244 tors. eta vs tors. theta energy: -132.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1600.546291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.546291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.546291 (E_RNA) where: Base-Base interactions energy: -1074.468 where: short stacking energy: -474.020 Base-Backbone interact. energy: 5.657 local terms energy: -531.735562 where: bonds (distance) C4'-P energy: -108.162 bonds (distance) P-C4' energy: -91.406 flat angles C4'-P-C4' energy: -109.643 flat angles P-C4'-P energy: -88.143 tors. eta vs tors. theta energy: -134.381 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: 8 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1356.829228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.829228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.829228 (E_RNA) where: Base-Base interactions energy: -870.308 where: short stacking energy: -391.986 Base-Backbone interact. energy: -1.158 local terms energy: -485.362512 where: bonds (distance) C4'-P energy: -109.171 bonds (distance) P-C4' energy: -109.714 flat angles C4'-P-C4' energy: -97.236 flat angles P-C4'-P energy: -72.605 tors. eta vs tors. theta energy: -96.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1104.696187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.696187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.696187 (E_RNA) where: Base-Base interactions energy: -674.490 where: short stacking energy: -320.357 Base-Backbone interact. energy: 2.078 local terms energy: -432.283712 where: bonds (distance) C4'-P energy: -111.810 bonds (distance) P-C4' energy: -94.553 flat angles C4'-P-C4' energy: -96.310 flat angles P-C4'-P energy: -64.136 tors. eta vs tors. theta energy: -65.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1070.409949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.409949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.409949 (E_RNA) where: Base-Base interactions energy: -668.374 where: short stacking energy: -307.891 Base-Backbone interact. energy: -2.339 local terms energy: -399.697227 where: bonds (distance) C4'-P energy: -80.303 bonds (distance) P-C4' energy: -90.387 flat angles C4'-P-C4' energy: -96.048 flat angles P-C4'-P energy: -61.089 tors. eta vs tors. theta energy: -71.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -648.449355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.449355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.449355 (E_RNA) where: Base-Base interactions energy: -323.400 where: short stacking energy: -224.821 Base-Backbone interact. energy: -0.082 local terms energy: -324.967647 where: bonds (distance) C4'-P energy: -86.385 bonds (distance) P-C4' energy: -77.255 flat angles C4'-P-C4' energy: -85.632 flat angles P-C4'-P energy: -52.435 tors. eta vs tors. theta energy: -23.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -448.282778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.282778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.282778 (E_RNA) where: Base-Base interactions energy: -162.078 where: short stacking energy: -112.892 Base-Backbone interact. energy: 1.368 local terms energy: -287.572743 where: bonds (distance) C4'-P energy: -95.078 bonds (distance) P-C4' energy: -94.094 flat angles C4'-P-C4' energy: -81.742 flat angles P-C4'-P energy: -29.993 tors. eta vs tors. theta energy: 13.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -416.889839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.889839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.889839 (E_RNA) where: Base-Base interactions energy: -151.829 where: short stacking energy: -122.463 Base-Backbone interact. energy: 3.021 local terms energy: -268.082654 where: bonds (distance) C4'-P energy: -85.815 bonds (distance) P-C4' energy: -89.854 flat angles C4'-P-C4' energy: -75.762 flat angles P-C4'-P energy: -28.250 tors. eta vs tors. theta energy: 11.598 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: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1948.333881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.333881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.333881 (E_RNA) where: Base-Base interactions energy: -1329.741 where: short stacking energy: -569.127 Base-Backbone interact. energy: 2.682 local terms energy: -621.275650 where: bonds (distance) C4'-P energy: -111.264 bonds (distance) P-C4' energy: -120.672 flat angles C4'-P-C4' energy: -128.185 flat angles P-C4'-P energy: -87.676 tors. eta vs tors. theta energy: -173.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1825.459900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.459900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.459900 (E_RNA) where: Base-Base interactions energy: -1271.036 where: short stacking energy: -527.983 Base-Backbone interact. energy: -1.475 local terms energy: -552.948905 where: bonds (distance) C4'-P energy: -100.034 bonds (distance) P-C4' energy: -108.382 flat angles C4'-P-C4' energy: -114.535 flat angles P-C4'-P energy: -81.644 tors. eta vs tors. theta energy: -148.355 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: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1699.707651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.707651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.707651 (E_RNA) where: Base-Base interactions energy: -1168.117 where: short stacking energy: -482.013 Base-Backbone interact. energy: -2.824 local terms energy: -528.767342 where: bonds (distance) C4'-P energy: -94.686 bonds (distance) P-C4' energy: -111.690 flat angles C4'-P-C4' energy: -114.461 flat angles P-C4'-P energy: -68.255 tors. eta vs tors. theta energy: -139.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1588.972057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.972057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.972057 (E_RNA) where: Base-Base interactions energy: -1089.779 where: short stacking energy: -447.290 Base-Backbone interact. energy: -3.092 local terms energy: -496.100564 where: bonds (distance) C4'-P energy: -108.258 bonds (distance) P-C4' energy: -100.084 flat angles C4'-P-C4' energy: -99.700 flat angles P-C4'-P energy: -55.401 tors. eta vs tors. theta energy: -132.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1366.952636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.952636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.952636 (E_RNA) where: Base-Base interactions energy: -918.537 where: short stacking energy: -395.117 Base-Backbone interact. energy: 3.457 local terms energy: -451.872119 where: bonds (distance) C4'-P energy: -88.049 bonds (distance) P-C4' energy: -91.852 flat angles C4'-P-C4' energy: -106.553 flat angles P-C4'-P energy: -68.303 tors. eta vs tors. theta energy: -97.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1156.475469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.475469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.475469 (E_RNA) where: Base-Base interactions energy: -713.959 where: short stacking energy: -314.881 Base-Backbone interact. energy: -2.324 local terms energy: -440.192725 where: bonds (distance) C4'-P energy: -107.381 bonds (distance) P-C4' energy: -98.549 flat angles C4'-P-C4' energy: -104.287 flat angles P-C4'-P energy: -62.436 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: 10 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1065.974963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.974963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.974963 (E_RNA) where: Base-Base interactions energy: -627.571 where: short stacking energy: -293.099 Base-Backbone interact. energy: -0.696 local terms energy: -437.708310 where: bonds (distance) C4'-P energy: -91.075 bonds (distance) P-C4' energy: -104.416 flat angles C4'-P-C4' energy: -96.066 flat angles P-C4'-P energy: -68.082 tors. eta vs tors. theta energy: -78.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -639.732583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.732583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.732583 (E_RNA) where: Base-Base interactions energy: -301.114 where: short stacking energy: -196.537 Base-Backbone interact. energy: 2.326 local terms energy: -340.943983 where: bonds (distance) C4'-P energy: -84.940 bonds (distance) P-C4' energy: -107.955 flat angles C4'-P-C4' energy: -73.460 flat angles P-C4'-P energy: -51.986 tors. eta vs tors. theta energy: -22.604 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: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -506.164575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.164575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.164575 (E_RNA) where: Base-Base interactions energy: -182.645 where: short stacking energy: -135.458 Base-Backbone interact. energy: -3.093 local terms energy: -320.426594 where: bonds (distance) C4'-P energy: -85.726 bonds (distance) P-C4' energy: -100.544 flat angles C4'-P-C4' energy: -86.847 flat angles P-C4'-P energy: -58.783 tors. eta vs tors. theta energy: 11.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -449.938515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.938515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.938515 (E_RNA) where: Base-Base interactions energy: -152.624 where: short stacking energy: -118.107 Base-Backbone interact. energy: -0.337 local terms energy: -296.977571 where: bonds (distance) C4'-P energy: -79.752 bonds (distance) P-C4' energy: -100.621 flat angles C4'-P-C4' energy: -78.833 flat angles P-C4'-P energy: -47.625 tors. eta vs tors. theta energy: 9.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1941.935527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.935527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.935527 (E_RNA) where: Base-Base interactions energy: -1330.623 where: short stacking energy: -575.701 Base-Backbone interact. energy: -1.622 local terms energy: -609.690762 where: bonds (distance) C4'-P energy: -107.164 bonds (distance) P-C4' energy: -107.229 flat angles C4'-P-C4' energy: -131.589 flat angles P-C4'-P energy: -89.308 tors. eta vs tors. theta energy: -174.402 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: 3 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1795.407806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.407806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.407806 (E_RNA) where: Base-Base interactions energy: -1243.897 where: short stacking energy: -513.047 Base-Backbone interact. energy: -1.940 local terms energy: -549.571109 where: bonds (distance) C4'-P energy: -106.416 bonds (distance) P-C4' energy: -97.729 flat angles C4'-P-C4' energy: -115.637 flat angles P-C4'-P energy: -79.177 tors. eta vs tors. theta energy: -150.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1730.929186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.929186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.929186 (E_RNA) where: Base-Base interactions energy: -1196.104 where: short stacking energy: -499.662 Base-Backbone interact. energy: -4.371 local terms energy: -530.454705 where: bonds (distance) C4'-P energy: -104.957 bonds (distance) P-C4' energy: -84.394 flat angles C4'-P-C4' energy: -125.235 flat angles P-C4'-P energy: -73.826 tors. eta vs tors. theta energy: -142.042 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: 415 Temperature: 1.050000 Total energy: -1589.735529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.735529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.735529 (E_RNA) where: Base-Base interactions energy: -1047.682 where: short stacking energy: -453.704 Base-Backbone interact. energy: -2.512 local terms energy: -539.541107 where: bonds (distance) C4'-P energy: -109.911 bonds (distance) P-C4' energy: -101.909 flat angles C4'-P-C4' energy: -112.560 flat angles P-C4'-P energy: -83.009 tors. eta vs tors. theta energy: -132.151 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: 8 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1368.663722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.663722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.663722 (E_RNA) where: Base-Base interactions energy: -896.058 where: short stacking energy: -375.261 Base-Backbone interact. energy: -0.191 local terms energy: -472.414239 where: bonds (distance) C4'-P energy: -109.257 bonds (distance) P-C4' energy: -99.457 flat angles C4'-P-C4' energy: -101.688 flat angles P-C4'-P energy: -63.636 tors. eta vs tors. theta energy: -98.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1126.266501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.266501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.266501 (E_RNA) where: Base-Base interactions energy: -697.117 where: short stacking energy: -300.333 Base-Backbone interact. energy: 1.223 local terms energy: -430.372962 where: bonds (distance) C4'-P energy: -90.608 bonds (distance) P-C4' energy: -106.591 flat angles C4'-P-C4' energy: -100.005 flat angles P-C4'-P energy: -61.823 tors. eta vs tors. theta energy: -71.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1044.556965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.556965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.556965 (E_RNA) where: Base-Base interactions energy: -642.834 where: short stacking energy: -303.749 Base-Backbone interact. energy: 4.785 local terms energy: -406.507732 where: bonds (distance) C4'-P energy: -104.333 bonds (distance) P-C4' energy: -83.208 flat angles C4'-P-C4' energy: -95.646 flat angles P-C4'-P energy: -57.376 tors. eta vs tors. theta energy: -65.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -631.399643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.399643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.399643 (E_RNA) where: Base-Base interactions energy: -282.328 where: short stacking energy: -168.275 Base-Backbone interact. energy: -3.182 local terms energy: -345.889651 where: bonds (distance) C4'-P energy: -101.963 bonds (distance) P-C4' energy: -102.327 flat angles C4'-P-C4' energy: -69.013 flat angles P-C4'-P energy: -66.310 tors. eta vs tors. theta energy: -6.276 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: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -488.225395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.225395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.225395 (E_RNA) where: Base-Base interactions energy: -193.244 where: short stacking energy: -141.929 Base-Backbone interact. energy: -1.327 local terms energy: -293.653575 where: bonds (distance) C4'-P energy: -94.782 bonds (distance) P-C4' energy: -95.446 flat angles C4'-P-C4' energy: -93.847 flat angles P-C4'-P energy: -28.540 tors. eta vs tors. theta energy: 18.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -444.494883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.494883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.494883 (E_RNA) where: Base-Base interactions energy: -154.305 where: short stacking energy: -114.750 Base-Backbone interact. energy: 2.117 local terms energy: -292.306376 where: bonds (distance) C4'-P energy: -88.813 bonds (distance) P-C4' energy: -107.806 flat angles C4'-P-C4' energy: -76.227 flat angles P-C4'-P energy: -37.294 tors. eta vs tors. theta energy: 17.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1942.389588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.389588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.389588 (E_RNA) where: Base-Base interactions energy: -1321.706 where: short stacking energy: -576.220 Base-Backbone interact. energy: 1.376 local terms energy: -622.059554 where: bonds (distance) C4'-P energy: -107.173 bonds (distance) P-C4' energy: -122.830 flat angles C4'-P-C4' energy: -135.698 flat angles P-C4'-P energy: -84.277 tors. eta vs tors. theta energy: -172.083 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: 2, replica: 3 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1817.626498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.626498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.626498 (E_RNA) where: Base-Base interactions energy: -1233.738 where: short stacking energy: -536.995 Base-Backbone interact. energy: 1.047 local terms energy: -584.935238 where: bonds (distance) C4'-P energy: -100.182 bonds (distance) P-C4' energy: -112.695 flat angles C4'-P-C4' energy: -133.039 flat angles P-C4'-P energy: -77.743 tors. eta vs tors. theta energy: -161.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1734.382130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.382130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.382130 (E_RNA) where: Base-Base interactions energy: -1223.330 where: short stacking energy: -496.117 Base-Backbone interact. energy: -3.016 local terms energy: -508.035305 where: bonds (distance) C4'-P energy: -86.321 bonds (distance) P-C4' energy: -110.473 flat angles C4'-P-C4' energy: -107.685 flat angles P-C4'-P energy: -59.358 tors. eta vs tors. theta energy: -144.197 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: 416 Temperature: 1.050000 Total energy: -1587.932944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.932944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.932944 (E_RNA) where: Base-Base interactions energy: -1076.270 where: short stacking energy: -461.345 Base-Backbone interact. energy: -1.992 local terms energy: -509.671182 where: bonds (distance) C4'-P energy: -96.275 bonds (distance) P-C4' energy: -107.524 flat angles C4'-P-C4' energy: -113.297 flat angles P-C4'-P energy: -68.897 tors. eta vs tors. theta energy: -123.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1328.768624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.768624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.768624 (E_RNA) where: Base-Base interactions energy: -864.722 where: short stacking energy: -378.142 Base-Backbone interact. energy: -1.294 local terms energy: -462.752528 where: bonds (distance) C4'-P energy: -94.648 bonds (distance) P-C4' energy: -105.598 flat angles C4'-P-C4' energy: -99.732 flat angles P-C4'-P energy: -64.806 tors. eta vs tors. theta energy: -97.969 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: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1139.888066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.888066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.888066 (E_RNA) where: Base-Base interactions energy: -679.396 where: short stacking energy: -332.876 Base-Backbone interact. energy: 0.445 local terms energy: -460.937292 where: bonds (distance) C4'-P energy: -103.083 bonds (distance) P-C4' energy: -100.651 flat angles C4'-P-C4' energy: -102.192 flat angles P-C4'-P energy: -74.330 tors. eta vs tors. theta energy: -80.682 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: 10 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1051.157740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.157740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.157740 (E_RNA) where: Base-Base interactions energy: -647.762 where: short stacking energy: -303.559 Base-Backbone interact. energy: -2.020 local terms energy: -401.375502 where: bonds (distance) C4'-P energy: -82.660 bonds (distance) P-C4' energy: -105.100 flat angles C4'-P-C4' energy: -93.044 flat angles P-C4'-P energy: -57.848 tors. eta vs tors. theta energy: -62.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -628.206904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.206904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.206904 (E_RNA) where: Base-Base interactions energy: -278.397 where: short stacking energy: -176.606 Base-Backbone interact. energy: -3.794 local terms energy: -346.015754 where: bonds (distance) C4'-P energy: -95.110 bonds (distance) P-C4' energy: -96.992 flat angles C4'-P-C4' energy: -84.244 flat angles P-C4'-P energy: -58.707 tors. eta vs tors. theta energy: -10.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -471.886201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.886201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.886201 (E_RNA) where: Base-Base interactions energy: -187.590 where: short stacking energy: -170.239 Base-Backbone interact. energy: -0.327 local terms energy: -283.969225 where: bonds (distance) C4'-P energy: -83.815 bonds (distance) P-C4' energy: -83.344 flat angles C4'-P-C4' energy: -63.565 flat angles P-C4'-P energy: -46.797 tors. eta vs tors. theta energy: -6.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -496.102076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.102076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.102076 (E_RNA) where: Base-Base interactions energy: -225.660 where: short stacking energy: -132.568 Base-Backbone interact. energy: -3.523 local terms energy: -266.919131 where: bonds (distance) C4'-P energy: -80.984 bonds (distance) P-C4' energy: -80.783 flat angles C4'-P-C4' energy: -80.958 flat angles P-C4'-P energy: -37.480 tors. eta vs tors. theta energy: 13.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1945.107873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.107873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.107873 (E_RNA) where: Base-Base interactions energy: -1327.710 where: short stacking energy: -564.097 Base-Backbone interact. energy: -0.762 local terms energy: -616.636104 where: bonds (distance) C4'-P energy: -111.221 bonds (distance) P-C4' energy: -113.167 flat angles C4'-P-C4' energy: -117.317 flat angles P-C4'-P energy: -98.761 tors. eta vs tors. theta energy: -176.171 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: 2, replica: 3 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1831.327833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.327833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.327833 (E_RNA) where: Base-Base interactions energy: -1271.090 where: short stacking energy: -510.359 Base-Backbone interact. energy: -2.399 local terms energy: -557.838718 where: bonds (distance) C4'-P energy: -100.947 bonds (distance) P-C4' energy: -113.465 flat angles C4'-P-C4' energy: -123.341 flat angles P-C4'-P energy: -77.464 tors. eta vs tors. theta energy: -142.621 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: 1 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1721.830819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.830819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.830819 (E_RNA) where: Base-Base interactions energy: -1163.606 where: short stacking energy: -493.377 Base-Backbone interact. energy: -0.930 local terms energy: -557.293914 where: bonds (distance) C4'-P energy: -111.233 bonds (distance) P-C4' energy: -109.322 flat angles C4'-P-C4' energy: -114.385 flat angles P-C4'-P energy: -68.981 tors. eta vs tors. theta energy: -153.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1548.142417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.142417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.142417 (E_RNA) where: Base-Base interactions energy: -1035.293 where: short stacking energy: -448.636 Base-Backbone interact. energy: -3.391 local terms energy: -509.458576 where: bonds (distance) C4'-P energy: -106.840 bonds (distance) P-C4' energy: -105.120 flat angles C4'-P-C4' energy: -113.619 flat angles P-C4'-P energy: -70.534 tors. eta vs tors. theta energy: -113.344 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: 8 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1327.703791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.703791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.703791 (E_RNA) where: Base-Base interactions energy: -862.523 where: short stacking energy: -396.861 Base-Backbone interact. energy: -0.328 local terms energy: -464.851995 where: bonds (distance) C4'-P energy: -105.706 bonds (distance) P-C4' energy: -92.537 flat angles C4'-P-C4' energy: -102.243 flat angles P-C4'-P energy: -63.395 tors. eta vs tors. theta energy: -100.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1139.205257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.205257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.205257 (E_RNA) where: Base-Base interactions energy: -689.018 where: short stacking energy: -324.425 Base-Backbone interact. energy: 1.455 local terms energy: -451.642335 where: bonds (distance) C4'-P energy: -93.728 bonds (distance) P-C4' energy: -97.983 flat angles C4'-P-C4' energy: -112.243 flat angles P-C4'-P energy: -75.931 tors. eta vs tors. theta energy: -71.757 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: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1036.621188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.621188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.621188 (E_RNA) where: Base-Base interactions energy: -637.193 where: short stacking energy: -291.325 Base-Backbone interact. energy: 2.187 local terms energy: -401.614909 where: bonds (distance) C4'-P energy: -87.382 bonds (distance) P-C4' energy: -106.955 flat angles C4'-P-C4' energy: -92.726 flat angles P-C4'-P energy: -59.907 tors. eta vs tors. theta energy: -54.644 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: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -657.658447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.658447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.658447 (E_RNA) where: Base-Base interactions energy: -329.435 where: short stacking energy: -194.088 Base-Backbone interact. energy: 2.749 local terms energy: -330.972166 where: bonds (distance) C4'-P energy: -75.799 bonds (distance) P-C4' energy: -111.252 flat angles C4'-P-C4' energy: -81.866 flat angles P-C4'-P energy: -53.620 tors. eta vs tors. theta energy: -8.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -454.704919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.704919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.704919 (E_RNA) where: Base-Base interactions energy: -152.530 where: short stacking energy: -110.261 Base-Backbone interact. energy: -0.730 local terms energy: -301.445122 where: bonds (distance) C4'-P energy: -101.524 bonds (distance) P-C4' energy: -93.497 flat angles C4'-P-C4' energy: -79.067 flat angles P-C4'-P energy: -50.629 tors. eta vs tors. theta energy: 23.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -453.871066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.871066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.871066 (E_RNA) where: Base-Base interactions energy: -173.682 where: short stacking energy: -109.792 Base-Backbone interact. energy: -1.558 local terms energy: -278.630865 where: bonds (distance) C4'-P energy: -93.012 bonds (distance) P-C4' energy: -76.291 flat angles C4'-P-C4' energy: -86.251 flat angles P-C4'-P energy: -45.791 tors. eta vs tors. theta energy: 22.713 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: 418 Temperature: 0.900000 Total energy: -1917.876587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.876587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.876587 (E_RNA) where: Base-Base interactions energy: -1312.483 where: short stacking energy: -548.212 Base-Backbone interact. energy: -2.423 local terms energy: -602.970231 where: bonds (distance) C4'-P energy: -113.004 bonds (distance) P-C4' energy: -109.844 flat angles C4'-P-C4' energy: -120.936 flat angles P-C4'-P energy: -88.673 tors. eta vs tors. theta energy: -170.513 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: 2, replica: 3 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1855.396727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.396727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.396727 (E_RNA) where: Base-Base interactions energy: -1288.033 where: short stacking energy: -549.290 Base-Backbone interact. energy: -1.995 local terms energy: -565.368322 where: bonds (distance) C4'-P energy: -90.706 bonds (distance) P-C4' energy: -110.103 flat angles C4'-P-C4' energy: -115.341 flat angles P-C4'-P energy: -87.322 tors. eta vs tors. theta energy: -161.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1717.135712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.135712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.135712 (E_RNA) where: Base-Base interactions energy: -1150.478 where: short stacking energy: -518.728 Base-Backbone interact. energy: -2.545 local terms energy: -564.112881 where: bonds (distance) C4'-P energy: -118.894 bonds (distance) P-C4' energy: -97.016 flat angles C4'-P-C4' energy: -107.976 flat angles P-C4'-P energy: -94.619 tors. eta vs tors. theta energy: -145.607 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: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1542.255126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.255126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.255126 (E_RNA) where: Base-Base interactions energy: -1041.928 where: short stacking energy: -415.122 Base-Backbone interact. energy: 0.220 local terms energy: -500.547278 where: bonds (distance) C4'-P energy: -103.070 bonds (distance) P-C4' energy: -103.332 flat angles C4'-P-C4' energy: -103.327 flat angles P-C4'-P energy: -75.394 tors. eta vs tors. theta energy: -115.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1318.517353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.517353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.517353 (E_RNA) where: Base-Base interactions energy: -837.863 where: short stacking energy: -365.410 Base-Backbone interact. energy: 0.542 local terms energy: -481.195474 where: bonds (distance) C4'-P energy: -97.349 bonds (distance) P-C4' energy: -107.785 flat angles C4'-P-C4' energy: -108.165 flat angles P-C4'-P energy: -76.522 tors. eta vs tors. theta energy: -91.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1104.545336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.545336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.545336 (E_RNA) where: Base-Base interactions energy: -696.349 where: short stacking energy: -309.115 Base-Backbone interact. energy: -0.215 local terms energy: -407.980638 where: bonds (distance) C4'-P energy: -91.610 bonds (distance) P-C4' energy: -99.338 flat angles C4'-P-C4' energy: -95.005 flat angles P-C4'-P energy: -51.370 tors. eta vs tors. theta energy: -70.657 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: 10 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1027.496020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.496020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.496020 (E_RNA) where: Base-Base interactions energy: -619.470 where: short stacking energy: -292.072 Base-Backbone interact. energy: 0.477 local terms energy: -408.503200 where: bonds (distance) C4'-P energy: -93.622 bonds (distance) P-C4' energy: -106.152 flat angles C4'-P-C4' energy: -85.202 flat angles P-C4'-P energy: -60.869 tors. eta vs tors. theta energy: -62.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -669.151215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.151215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.151215 (E_RNA) where: Base-Base interactions energy: -316.383 where: short stacking energy: -198.597 Base-Backbone interact. energy: -0.859 local terms energy: -351.909261 where: bonds (distance) C4'-P energy: -105.923 bonds (distance) P-C4' energy: -97.898 flat angles C4'-P-C4' energy: -79.611 flat angles P-C4'-P energy: -56.149 tors. eta vs tors. theta energy: -12.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -460.450830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.450830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.450830 (E_RNA) where: Base-Base interactions energy: -142.256 where: short stacking energy: -106.477 Base-Backbone interact. energy: -1.534 local terms energy: -316.660637 where: bonds (distance) C4'-P energy: -76.445 bonds (distance) P-C4' energy: -112.291 flat angles C4'-P-C4' energy: -87.250 flat angles P-C4'-P energy: -54.676 tors. eta vs tors. theta energy: 14.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -452.488122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.488122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.488122 (E_RNA) where: Base-Base interactions energy: -160.203 where: short stacking energy: -130.352 Base-Backbone interact. energy: 2.029 local terms energy: -294.313418 where: bonds (distance) C4'-P energy: -81.533 bonds (distance) P-C4' energy: -94.387 flat angles C4'-P-C4' energy: -74.001 flat angles P-C4'-P energy: -45.274 tors. eta vs tors. theta energy: 0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1930.367564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.367564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.367564 (E_RNA) where: Base-Base interactions energy: -1326.246 where: short stacking energy: -581.467 Base-Backbone interact. energy: 0.183 local terms energy: -604.304228 where: bonds (distance) C4'-P energy: -110.136 bonds (distance) P-C4' energy: -106.242 flat angles C4'-P-C4' energy: -131.684 flat angles P-C4'-P energy: -85.551 tors. eta vs tors. theta energy: -170.692 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: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1849.761608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.761608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.761608 (E_RNA) where: Base-Base interactions energy: -1283.608 where: short stacking energy: -532.083 Base-Backbone interact. energy: 3.960 local terms energy: -570.113949 where: bonds (distance) C4'-P energy: -110.923 bonds (distance) P-C4' energy: -114.346 flat angles C4'-P-C4' energy: -125.072 flat angles P-C4'-P energy: -66.632 tors. eta vs tors. theta energy: -153.140 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: 1 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1691.322020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.322020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.322020 (E_RNA) where: Base-Base interactions energy: -1126.380 where: short stacking energy: -476.446 Base-Backbone interact. energy: -4.775 local terms energy: -560.167073 where: bonds (distance) C4'-P energy: -105.967 bonds (distance) P-C4' energy: -106.184 flat angles C4'-P-C4' energy: -122.385 flat angles P-C4'-P energy: -78.754 tors. eta vs tors. theta energy: -146.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1567.977603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.977603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.977603 (E_RNA) where: Base-Base interactions energy: -1056.402 where: short stacking energy: -450.071 Base-Backbone interact. energy: -1.884 local terms energy: -509.691607 where: bonds (distance) C4'-P energy: -93.004 bonds (distance) P-C4' energy: -104.842 flat angles C4'-P-C4' energy: -101.768 flat angles P-C4'-P energy: -73.606 tors. eta vs tors. theta energy: -136.472 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: 5, replica: 8 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1322.629544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.629544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.629544 (E_RNA) where: Base-Base interactions energy: -869.757 where: short stacking energy: -354.779 Base-Backbone interact. energy: -3.454 local terms energy: -449.418621 where: bonds (distance) C4'-P energy: -86.936 bonds (distance) P-C4' energy: -95.613 flat angles C4'-P-C4' energy: -99.737 flat angles P-C4'-P energy: -61.044 tors. eta vs tors. theta energy: -106.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1127.882563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.882563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.882563 (E_RNA) where: Base-Base interactions energy: -727.619 where: short stacking energy: -331.354 Base-Backbone interact. energy: 5.023 local terms energy: -405.286671 where: bonds (distance) C4'-P energy: -103.804 bonds (distance) P-C4' energy: -77.093 flat angles C4'-P-C4' energy: -91.191 flat angles P-C4'-P energy: -57.800 tors. eta vs tors. theta energy: -75.399 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: 419 Temperature: 1.200000 Total energy: -999.410763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.410763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.410763 (E_RNA) where: Base-Base interactions energy: -606.423 where: short stacking energy: -283.393 Base-Backbone interact. energy: -0.085 local terms energy: -392.903062 where: bonds (distance) C4'-P energy: -90.496 bonds (distance) P-C4' energy: -102.528 flat angles C4'-P-C4' energy: -96.378 flat angles P-C4'-P energy: -53.895 tors. eta vs tors. theta energy: -49.606 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: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -646.053211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.053211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.053211 (E_RNA) where: Base-Base interactions energy: -322.167 where: short stacking energy: -191.583 Base-Backbone interact. energy: -1.581 local terms energy: -322.305337 where: bonds (distance) C4'-P energy: -76.113 bonds (distance) P-C4' energy: -100.193 flat angles C4'-P-C4' energy: -92.589 flat angles P-C4'-P energy: -56.730 tors. eta vs tors. theta energy: 3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -475.609067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.609067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.609067 (E_RNA) where: Base-Base interactions energy: -177.066 where: short stacking energy: -127.527 Base-Backbone interact. energy: -0.828 local terms energy: -297.715128 where: bonds (distance) C4'-P energy: -86.976 bonds (distance) P-C4' energy: -105.404 flat angles C4'-P-C4' energy: -69.589 flat angles P-C4'-P energy: -44.100 tors. eta vs tors. theta energy: 8.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -436.275705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.275705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.275705 (E_RNA) where: Base-Base interactions energy: -142.289 where: short stacking energy: -115.942 Base-Backbone interact. energy: -2.020 local terms energy: -291.967264 where: bonds (distance) C4'-P energy: -91.244 bonds (distance) P-C4' energy: -97.952 flat angles C4'-P-C4' energy: -70.519 flat angles P-C4'-P energy: -47.525 tors. eta vs tors. theta energy: 15.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1930.400820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.400820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.400820 (E_RNA) where: Base-Base interactions energy: -1303.916 where: short stacking energy: -572.647 Base-Backbone interact. energy: -1.071 local terms energy: -625.414053 where: bonds (distance) C4'-P energy: -114.262 bonds (distance) P-C4' energy: -117.125 flat angles C4'-P-C4' energy: -128.743 flat angles P-C4'-P energy: -87.760 tors. eta vs tors. theta energy: -177.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1847.398403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.398403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.398403 (E_RNA) where: Base-Base interactions energy: -1257.460 where: short stacking energy: -496.401 Base-Backbone interact. energy: 0.130 local terms energy: -590.067694 where: bonds (distance) C4'-P energy: -108.855 bonds (distance) P-C4' energy: -108.134 flat angles C4'-P-C4' energy: -120.923 flat angles P-C4'-P energy: -89.796 tors. eta vs tors. theta energy: -162.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1701.454621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.454621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.454621 (E_RNA) where: Base-Base interactions energy: -1140.710 where: short stacking energy: -486.546 Base-Backbone interact. energy: -8.489 local terms energy: -552.255285 where: bonds (distance) C4'-P energy: -106.498 bonds (distance) P-C4' energy: -98.952 flat angles C4'-P-C4' energy: -127.349 flat angles P-C4'-P energy: -75.656 tors. eta vs tors. theta energy: -143.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1518.689045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.689045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.689045 (E_RNA) where: Base-Base interactions energy: -1011.151 where: short stacking energy: -439.513 Base-Backbone interact. energy: 2.191 local terms energy: -509.728761 where: bonds (distance) C4'-P energy: -94.940 bonds (distance) P-C4' energy: -97.959 flat angles C4'-P-C4' energy: -130.315 flat angles P-C4'-P energy: -75.326 tors. eta vs tors. theta energy: -111.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1355.485784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.485784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.485784 (E_RNA) where: Base-Base interactions energy: -877.255 where: short stacking energy: -370.914 Base-Backbone interact. energy: -3.841 local terms energy: -474.390525 where: bonds (distance) C4'-P energy: -85.354 bonds (distance) P-C4' energy: -105.441 flat angles C4'-P-C4' energy: -103.007 flat angles P-C4'-P energy: -73.867 tors. eta vs tors. theta energy: -106.722 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: 2 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1147.899475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.899475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.899475 (E_RNA) where: Base-Base interactions energy: -705.944 where: short stacking energy: -326.426 Base-Backbone interact. energy: -0.992 local terms energy: -440.963280 where: bonds (distance) C4'-P energy: -91.462 bonds (distance) P-C4' energy: -106.475 flat angles C4'-P-C4' energy: -105.483 flat angles P-C4'-P energy: -67.475 tors. eta vs tors. theta energy: -70.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1011.720678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.720678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.720678 (E_RNA) where: Base-Base interactions energy: -599.700 where: short stacking energy: -289.696 Base-Backbone interact. energy: 1.398 local terms energy: -413.419456 where: bonds (distance) C4'-P energy: -98.911 bonds (distance) P-C4' energy: -106.586 flat angles C4'-P-C4' energy: -97.245 flat angles P-C4'-P energy: -59.817 tors. eta vs tors. theta energy: -50.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -698.488764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.488764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.488764 (E_RNA) where: Base-Base interactions energy: -349.298 where: short stacking energy: -198.946 Base-Backbone interact. energy: -1.593 local terms energy: -347.597616 where: bonds (distance) C4'-P energy: -87.652 bonds (distance) P-C4' energy: -98.052 flat angles C4'-P-C4' energy: -76.858 flat angles P-C4'-P energy: -53.401 tors. eta vs tors. theta energy: -31.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -478.635949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.635949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.635949 (E_RNA) where: Base-Base interactions energy: -164.698 where: short stacking energy: -118.053 Base-Backbone interact. energy: 1.074 local terms energy: -315.011734 where: bonds (distance) C4'-P energy: -95.124 bonds (distance) P-C4' energy: -95.209 flat angles C4'-P-C4' energy: -84.092 flat angles P-C4'-P energy: -59.428 tors. eta vs tors. theta energy: 18.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -427.826127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.826127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.826127 (E_RNA) where: Base-Base interactions energy: -161.796 where: short stacking energy: -114.579 Base-Backbone interact. energy: -1.035 local terms energy: -264.994697 where: bonds (distance) C4'-P energy: -83.669 bonds (distance) P-C4' energy: -77.107 flat angles C4'-P-C4' energy: -71.529 flat angles P-C4'-P energy: -57.400 tors. eta vs tors. theta energy: 24.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1945.322590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.322590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.322590 (E_RNA) where: Base-Base interactions energy: -1309.028 where: short stacking energy: -558.440 Base-Backbone interact. energy: -2.331 local terms energy: -633.963771 where: bonds (distance) C4'-P energy: -124.768 bonds (distance) P-C4' energy: -115.764 flat angles C4'-P-C4' energy: -126.006 flat angles P-C4'-P energy: -89.593 tors. eta vs tors. theta energy: -177.833 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: 3 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1817.637750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.637750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.637750 (E_RNA) where: Base-Base interactions energy: -1257.822 where: short stacking energy: -509.603 Base-Backbone interact. energy: -3.377 local terms energy: -556.438793 where: bonds (distance) C4'-P energy: -96.797 bonds (distance) P-C4' energy: -108.201 flat angles C4'-P-C4' energy: -121.899 flat angles P-C4'-P energy: -75.627 tors. eta vs tors. theta energy: -153.915 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: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1709.816208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.816208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.816208 (E_RNA) where: Base-Base interactions energy: -1162.669 where: short stacking energy: -468.476 Base-Backbone interact. energy: -4.437 local terms energy: -542.710038 where: bonds (distance) C4'-P energy: -113.112 bonds (distance) P-C4' energy: -96.510 flat angles C4'-P-C4' energy: -112.746 flat angles P-C4'-P energy: -75.744 tors. eta vs tors. theta energy: -144.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1526.192213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.192213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.192213 (E_RNA) where: Base-Base interactions energy: -1013.146 where: short stacking energy: -425.490 Base-Backbone interact. energy: -2.827 local terms energy: -510.218963 where: bonds (distance) C4'-P energy: -99.339 bonds (distance) P-C4' energy: -106.018 flat angles C4'-P-C4' energy: -120.296 flat angles P-C4'-P energy: -74.492 tors. eta vs tors. theta energy: -110.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1393.569578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.569578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.569578 (E_RNA) where: Base-Base interactions energy: -917.652 where: short stacking energy: -409.338 Base-Backbone interact. energy: -0.670 local terms energy: -475.247498 where: bonds (distance) C4'-P energy: -89.562 bonds (distance) P-C4' energy: -103.967 flat angles C4'-P-C4' energy: -102.481 flat angles P-C4'-P energy: -65.437 tors. eta vs tors. theta energy: -113.801 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: 2 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1161.493175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.493175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.493175 (E_RNA) where: Base-Base interactions energy: -707.706 where: short stacking energy: -324.149 Base-Backbone interact. energy: -2.210 local terms energy: -451.577397 where: bonds (distance) C4'-P energy: -103.179 bonds (distance) P-C4' energy: -89.894 flat angles C4'-P-C4' energy: -113.046 flat angles P-C4'-P energy: -66.087 tors. eta vs tors. theta energy: -79.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1008.592937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.592937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.592937 (E_RNA) where: Base-Base interactions energy: -612.260 where: short stacking energy: -300.617 Base-Backbone interact. energy: -1.451 local terms energy: -394.882791 where: bonds (distance) C4'-P energy: -75.079 bonds (distance) P-C4' energy: -89.137 flat angles C4'-P-C4' energy: -104.243 flat angles P-C4'-P energy: -67.766 tors. eta vs tors. theta energy: -58.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -699.647307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.647307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.647307 (E_RNA) where: Base-Base interactions energy: -364.144 where: short stacking energy: -215.298 Base-Backbone interact. energy: -0.477 local terms energy: -335.026323 where: bonds (distance) C4'-P energy: -87.385 bonds (distance) P-C4' energy: -82.183 flat angles C4'-P-C4' energy: -87.116 flat angles P-C4'-P energy: -51.318 tors. eta vs tors. theta energy: -27.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -495.866344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.866344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.866344 (E_RNA) where: Base-Base interactions energy: -189.805 where: short stacking energy: -128.453 Base-Backbone interact. energy: -1.735 local terms energy: -304.326655 where: bonds (distance) C4'-P energy: -91.749 bonds (distance) P-C4' energy: -95.680 flat angles C4'-P-C4' energy: -83.103 flat angles P-C4'-P energy: -46.526 tors. eta vs tors. theta energy: 12.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -418.782368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.782368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.782368 (E_RNA) where: Base-Base interactions energy: -155.156 where: short stacking energy: -129.909 Base-Backbone interact. energy: -1.930 local terms energy: -261.697015 where: bonds (distance) C4'-P energy: -95.319 bonds (distance) P-C4' energy: -102.670 flat angles C4'-P-C4' energy: -62.839 flat angles P-C4'-P energy: -11.156 tors. eta vs tors. theta energy: 10.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1954.778669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.778669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.778669 (E_RNA) where: Base-Base interactions energy: -1345.576 where: short stacking energy: -575.116 Base-Backbone interact. energy: -2.201 local terms energy: -607.001298 where: bonds (distance) C4'-P energy: -109.862 bonds (distance) P-C4' energy: -105.940 flat angles C4'-P-C4' energy: -126.832 flat angles P-C4'-P energy: -86.370 tors. eta vs tors. theta energy: -177.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1790.347850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.347850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.347850 (E_RNA) where: Base-Base interactions energy: -1246.108 where: short stacking energy: -513.172 Base-Backbone interact. energy: -1.324 local terms energy: -542.915783 where: bonds (distance) C4'-P energy: -96.863 bonds (distance) P-C4' energy: -104.080 flat angles C4'-P-C4' energy: -114.329 flat angles P-C4'-P energy: -75.291 tors. eta vs tors. theta energy: -152.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1667.709985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.709985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.709985 (E_RNA) where: Base-Base interactions energy: -1119.112 where: short stacking energy: -490.016 Base-Backbone interact. energy: -3.576 local terms energy: -545.022357 where: bonds (distance) C4'-P energy: -91.207 bonds (distance) P-C4' energy: -101.141 flat angles C4'-P-C4' energy: -124.002 flat angles P-C4'-P energy: -79.215 tors. eta vs tors. theta energy: -149.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1505.540174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.540174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.540174 (E_RNA) where: Base-Base interactions energy: -1004.207 where: short stacking energy: -432.420 Base-Backbone interact. energy: 2.317 local terms energy: -503.649671 where: bonds (distance) C4'-P energy: -101.570 bonds (distance) P-C4' energy: -103.513 flat angles C4'-P-C4' energy: -115.374 flat angles P-C4'-P energy: -77.390 tors. eta vs tors. theta energy: -105.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1404.286858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.286858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.286858 (E_RNA) where: Base-Base interactions energy: -926.180 where: short stacking energy: -412.698 Base-Backbone interact. energy: -0.409 local terms energy: -477.697535 where: bonds (distance) C4'-P energy: -100.646 bonds (distance) P-C4' energy: -83.335 flat angles C4'-P-C4' energy: -112.356 flat angles P-C4'-P energy: -65.665 tors. eta vs tors. theta energy: -115.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1184.770343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.770343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.770343 (E_RNA) where: Base-Base interactions energy: -756.502 where: short stacking energy: -335.312 Base-Backbone interact. energy: -2.972 local terms energy: -425.295669 where: bonds (distance) C4'-P energy: -98.832 bonds (distance) P-C4' energy: -79.563 flat angles C4'-P-C4' energy: -93.881 flat angles P-C4'-P energy: -71.705 tors. eta vs tors. theta energy: -81.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -999.679514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.679514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.679514 (E_RNA) where: Base-Base interactions energy: -613.589 where: short stacking energy: -299.752 Base-Backbone interact. energy: 2.983 local terms energy: -389.074330 where: bonds (distance) C4'-P energy: -97.232 bonds (distance) P-C4' energy: -92.367 flat angles C4'-P-C4' energy: -89.998 flat angles P-C4'-P energy: -56.603 tors. eta vs tors. theta energy: -52.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -755.387408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.387408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.387408 (E_RNA) where: Base-Base interactions energy: -392.640 where: short stacking energy: -197.604 Base-Backbone interact. energy: 0.544 local terms energy: -363.291088 where: bonds (distance) C4'-P energy: -100.732 bonds (distance) P-C4' energy: -103.323 flat angles C4'-P-C4' energy: -77.666 flat angles P-C4'-P energy: -66.749 tors. eta vs tors. theta energy: -14.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -459.250550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.250550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.250550 (E_RNA) where: Base-Base interactions energy: -170.594 where: short stacking energy: -146.371 Base-Backbone interact. energy: -1.223 local terms energy: -287.433266 where: bonds (distance) C4'-P energy: -76.887 bonds (distance) P-C4' energy: -96.733 flat angles C4'-P-C4' energy: -88.234 flat angles P-C4'-P energy: -28.103 tors. eta vs tors. theta energy: 2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -416.952795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.952795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.952795 (E_RNA) where: Base-Base interactions energy: -128.500 where: short stacking energy: -118.599 Base-Backbone interact. energy: -3.384 local terms energy: -285.068280 where: bonds (distance) C4'-P energy: -98.201 bonds (distance) P-C4' energy: -84.001 flat angles C4'-P-C4' energy: -96.308 flat angles P-C4'-P energy: -20.056 tors. eta vs tors. theta energy: 13.497 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: 7 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1918.269354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.269354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.269354 (E_RNA) where: Base-Base interactions energy: -1330.467 where: short stacking energy: -574.990 Base-Backbone interact. energy: -1.546 local terms energy: -586.256506 where: bonds (distance) C4'-P energy: -111.015 bonds (distance) P-C4' energy: -95.517 flat angles C4'-P-C4' energy: -129.493 flat angles P-C4'-P energy: -77.559 tors. eta vs tors. theta energy: -172.673 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: 2, replica: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1829.003763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.003763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.003763 (E_RNA) where: Base-Base interactions energy: -1268.231 where: short stacking energy: -516.416 Base-Backbone interact. energy: 3.583 local terms energy: -564.355905 where: bonds (distance) C4'-P energy: -108.628 bonds (distance) P-C4' energy: -106.715 flat angles C4'-P-C4' energy: -115.714 flat angles P-C4'-P energy: -82.320 tors. eta vs tors. theta energy: -150.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1691.091097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.091097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.091097 (E_RNA) where: Base-Base interactions energy: -1141.136 where: short stacking energy: -477.612 Base-Backbone interact. energy: -1.584 local terms energy: -548.371053 where: bonds (distance) C4'-P energy: -98.997 bonds (distance) P-C4' energy: -122.832 flat angles C4'-P-C4' energy: -109.041 flat angles P-C4'-P energy: -75.029 tors. eta vs tors. theta energy: -142.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1483.608380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.608380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.608380 (E_RNA) where: Base-Base interactions energy: -983.417 where: short stacking energy: -405.335 Base-Backbone interact. energy: -2.203 local terms energy: -497.988403 where: bonds (distance) C4'-P energy: -86.760 bonds (distance) P-C4' energy: -111.895 flat angles C4'-P-C4' energy: -118.811 flat angles P-C4'-P energy: -77.194 tors. eta vs tors. theta energy: -103.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1389.762664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.762664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.762664 (E_RNA) where: Base-Base interactions energy: -907.862 where: short stacking energy: -390.741 Base-Backbone interact. energy: -2.478 local terms energy: -479.422513 where: bonds (distance) C4'-P energy: -107.416 bonds (distance) P-C4' energy: -113.764 flat angles C4'-P-C4' energy: -106.888 flat angles P-C4'-P energy: -51.534 tors. eta vs tors. theta energy: -99.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1152.774061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.774061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.774061 (E_RNA) where: Base-Base interactions energy: -725.365 where: short stacking energy: -314.853 Base-Backbone interact. energy: -0.273 local terms energy: -427.136922 where: bonds (distance) C4'-P energy: -91.017 bonds (distance) P-C4' energy: -115.452 flat angles C4'-P-C4' energy: -99.377 flat angles P-C4'-P energy: -56.407 tors. eta vs tors. theta energy: -64.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -964.211830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.211830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.211830 (E_RNA) where: Base-Base interactions energy: -582.048 where: short stacking energy: -264.496 Base-Backbone interact. energy: -0.451 local terms energy: -381.713411 where: bonds (distance) C4'-P energy: -92.547 bonds (distance) P-C4' energy: -94.635 flat angles C4'-P-C4' energy: -85.221 flat angles P-C4'-P energy: -60.025 tors. eta vs tors. theta energy: -49.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -732.256293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.256293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.256293 (E_RNA) where: Base-Base interactions energy: -399.674 where: short stacking energy: -208.073 Base-Backbone interact. energy: -0.262 local terms energy: -332.320372 where: bonds (distance) C4'-P energy: -74.833 bonds (distance) P-C4' energy: -121.149 flat angles C4'-P-C4' energy: -88.723 flat angles P-C4'-P energy: -29.250 tors. eta vs tors. theta energy: -18.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -472.969813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.969813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.969813 (E_RNA) where: Base-Base interactions energy: -152.536 where: short stacking energy: -134.865 Base-Backbone interact. energy: -3.008 local terms energy: -317.425394 where: bonds (distance) C4'-P energy: -87.924 bonds (distance) P-C4' energy: -119.391 flat angles C4'-P-C4' energy: -70.255 flat angles P-C4'-P energy: -52.918 tors. eta vs tors. theta energy: 13.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -410.127585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.127585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.127585 (E_RNA) where: Base-Base interactions energy: -119.459 where: short stacking energy: -92.928 Base-Backbone interact. energy: -3.467 local terms energy: -287.201913 where: bonds (distance) C4'-P energy: -94.031 bonds (distance) P-C4' energy: -116.212 flat angles C4'-P-C4' energy: -76.242 flat angles P-C4'-P energy: -41.846 tors. eta vs tors. theta energy: 41.129 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: 7 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1938.975267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.975267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.975267 (E_RNA) where: Base-Base interactions energy: -1333.385 where: short stacking energy: -573.810 Base-Backbone interact. energy: -0.784 local terms energy: -604.805892 where: bonds (distance) C4'-P energy: -104.067 bonds (distance) P-C4' energy: -110.036 flat angles C4'-P-C4' energy: -126.547 flat angles P-C4'-P energy: -85.089 tors. eta vs tors. theta energy: -179.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1826.536814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.536814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.536814 (E_RNA) where: Base-Base interactions energy: -1279.567 where: short stacking energy: -510.011 Base-Backbone interact. energy: -3.299 local terms energy: -543.671110 where: bonds (distance) C4'-P energy: -96.049 bonds (distance) P-C4' energy: -112.308 flat angles C4'-P-C4' energy: -106.004 flat angles P-C4'-P energy: -73.915 tors. eta vs tors. theta energy: -155.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1690.135706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.135706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.135706 (E_RNA) where: Base-Base interactions energy: -1147.030 where: short stacking energy: -497.740 Base-Backbone interact. energy: 0.374 local terms energy: -543.480443 where: bonds (distance) C4'-P energy: -103.783 bonds (distance) P-C4' energy: -109.073 flat angles C4'-P-C4' energy: -121.104 flat angles P-C4'-P energy: -71.316 tors. eta vs tors. theta energy: -138.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1486.182997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.182997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.182997 (E_RNA) where: Base-Base interactions energy: -989.954 where: short stacking energy: -418.354 Base-Backbone interact. energy: 1.205 local terms energy: -497.433973 where: bonds (distance) C4'-P energy: -95.727 bonds (distance) P-C4' energy: -107.941 flat angles C4'-P-C4' energy: -117.670 flat angles P-C4'-P energy: -60.289 tors. eta vs tors. theta energy: -115.807 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: 8 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1362.530705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.530705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.530705 (E_RNA) where: Base-Base interactions energy: -885.423 where: short stacking energy: -398.394 Base-Backbone interact. energy: 1.311 local terms energy: -478.418025 where: bonds (distance) C4'-P energy: -101.016 bonds (distance) P-C4' energy: -96.290 flat angles C4'-P-C4' energy: -113.553 flat angles P-C4'-P energy: -59.145 tors. eta vs tors. theta energy: -108.414 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: 2 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1141.057641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.057641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.057641 (E_RNA) where: Base-Base interactions energy: -696.059 where: short stacking energy: -341.970 Base-Backbone interact. energy: -3.278 local terms energy: -441.719794 where: bonds (distance) C4'-P energy: -83.200 bonds (distance) P-C4' energy: -101.813 flat angles C4'-P-C4' energy: -108.385 flat angles P-C4'-P energy: -80.116 tors. eta vs tors. theta energy: -68.206 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: 10 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1002.218889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.218889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.218889 (E_RNA) where: Base-Base interactions energy: -617.303 where: short stacking energy: -286.317 Base-Backbone interact. energy: -1.673 local terms energy: -383.242868 where: bonds (distance) C4'-P energy: -81.515 bonds (distance) P-C4' energy: -91.426 flat angles C4'-P-C4' energy: -98.911 flat angles P-C4'-P energy: -57.587 tors. eta vs tors. theta energy: -53.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -751.177831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.177831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.177831 (E_RNA) where: Base-Base interactions energy: -388.275 where: short stacking energy: -200.240 Base-Backbone interact. energy: -2.400 local terms energy: -360.502188 where: bonds (distance) C4'-P energy: -98.755 bonds (distance) P-C4' energy: -101.595 flat angles C4'-P-C4' energy: -92.908 flat angles P-C4'-P energy: -45.092 tors. eta vs tors. theta energy: -22.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -481.286035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.286035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.286035 (E_RNA) where: Base-Base interactions energy: -213.105 where: short stacking energy: -130.918 Base-Backbone interact. energy: 2.649 local terms energy: -270.830229 where: bonds (distance) C4'-P energy: -87.742 bonds (distance) P-C4' energy: -88.783 flat angles C4'-P-C4' energy: -76.315 flat angles P-C4'-P energy: -35.557 tors. eta vs tors. theta energy: 17.566 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: 424 Temperature: 1.350000 Total energy: -436.292163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.292163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.292163 (E_RNA) where: Base-Base interactions energy: -143.388 where: short stacking energy: -115.583 Base-Backbone interact. energy: 2.253 local terms energy: -295.157572 where: bonds (distance) C4'-P energy: -103.397 bonds (distance) P-C4' energy: -79.905 flat angles C4'-P-C4' energy: -85.328 flat angles P-C4'-P energy: -49.316 tors. eta vs tors. theta energy: 22.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1934.547164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.547164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.547164 (E_RNA) where: Base-Base interactions energy: -1298.844 where: short stacking energy: -567.050 Base-Backbone interact. energy: -1.130 local terms energy: -634.573268 where: bonds (distance) C4'-P energy: -109.055 bonds (distance) P-C4' energy: -118.993 flat angles C4'-P-C4' energy: -131.596 flat angles P-C4'-P energy: -98.187 tors. eta vs tors. theta energy: -176.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1796.698423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.698423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.698423 (E_RNA) where: Base-Base interactions energy: -1242.520 where: short stacking energy: -485.430 Base-Backbone interact. energy: -2.434 local terms energy: -551.743997 where: bonds (distance) C4'-P energy: -101.683 bonds (distance) P-C4' energy: -105.987 flat angles C4'-P-C4' energy: -114.669 flat angles P-C4'-P energy: -84.106 tors. eta vs tors. theta energy: -145.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1668.540553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.540553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.540553 (E_RNA) where: Base-Base interactions energy: -1122.570 where: short stacking energy: -458.594 Base-Backbone interact. energy: -4.894 local terms energy: -541.076157 where: bonds (distance) C4'-P energy: -97.150 bonds (distance) P-C4' energy: -99.363 flat angles C4'-P-C4' energy: -120.254 flat angles P-C4'-P energy: -76.447 tors. eta vs tors. theta energy: -147.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1538.575034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.575034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.575034 (E_RNA) where: Base-Base interactions energy: -1016.872 where: short stacking energy: -457.655 Base-Backbone interact. energy: -1.673 local terms energy: -520.029639 where: bonds (distance) C4'-P energy: -94.882 bonds (distance) P-C4' energy: -105.540 flat angles C4'-P-C4' energy: -123.057 flat angles P-C4'-P energy: -71.398 tors. eta vs tors. theta energy: -125.152 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: 8 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1452.601337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.601337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.601337 (E_RNA) where: Base-Base interactions energy: -970.292 where: short stacking energy: -406.524 Base-Backbone interact. energy: -4.410 local terms energy: -477.899124 where: bonds (distance) C4'-P energy: -99.772 bonds (distance) P-C4' energy: -96.392 flat angles C4'-P-C4' energy: -118.322 flat angles P-C4'-P energy: -66.550 tors. eta vs tors. theta energy: -96.864 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: 2 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1063.699791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.699791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.699791 (E_RNA) where: Base-Base interactions energy: -643.691 where: short stacking energy: -313.686 Base-Backbone interact. energy: -2.084 local terms energy: -417.924507 where: bonds (distance) C4'-P energy: -88.806 bonds (distance) P-C4' energy: -95.724 flat angles C4'-P-C4' energy: -108.111 flat angles P-C4'-P energy: -67.515 tors. eta vs tors. theta energy: -57.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -948.926934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.926934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.926934 (E_RNA) where: Base-Base interactions energy: -556.566 where: short stacking energy: -278.389 Base-Backbone interact. energy: -0.768 local terms energy: -391.592950 where: bonds (distance) C4'-P energy: -87.630 bonds (distance) P-C4' energy: -103.361 flat angles C4'-P-C4' energy: -99.647 flat angles P-C4'-P energy: -57.376 tors. eta vs tors. theta energy: -43.579 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: 425 Temperature: 1.250000 Total energy: -739.267224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.267224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.267224 (E_RNA) where: Base-Base interactions energy: -391.831 where: short stacking energy: -234.226 Base-Backbone interact. energy: -3.749 local terms energy: -343.686779 where: bonds (distance) C4'-P energy: -100.149 bonds (distance) P-C4' energy: -95.021 flat angles C4'-P-C4' energy: -87.767 flat angles P-C4'-P energy: -41.819 tors. eta vs tors. theta energy: -18.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -460.908791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.908791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.908791 (E_RNA) where: Base-Base interactions energy: -150.673 where: short stacking energy: -123.581 Base-Backbone interact. energy: 0.867 local terms energy: -311.102382 where: bonds (distance) C4'-P energy: -96.827 bonds (distance) P-C4' energy: -106.391 flat angles C4'-P-C4' energy: -82.124 flat angles P-C4'-P energy: -42.693 tors. eta vs tors. theta energy: 16.933 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: 425 Temperature: 1.350000 Total energy: -423.915154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.915154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.915154 (E_RNA) where: Base-Base interactions energy: -147.577 where: short stacking energy: -125.941 Base-Backbone interact. energy: 3.892 local terms energy: -280.230496 where: bonds (distance) C4'-P energy: -85.714 bonds (distance) P-C4' energy: -90.205 flat angles C4'-P-C4' energy: -80.777 flat angles P-C4'-P energy: -40.498 tors. eta vs tors. theta energy: 16.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1922.947579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.947579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.947579 (E_RNA) where: Base-Base interactions energy: -1321.612 where: short stacking energy: -561.948 Base-Backbone interact. energy: -0.381 local terms energy: -600.954347 where: bonds (distance) C4'-P energy: -109.741 bonds (distance) P-C4' energy: -103.042 flat angles C4'-P-C4' energy: -128.384 flat angles P-C4'-P energy: -91.506 tors. eta vs tors. theta energy: -168.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1799.090494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.090494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.090494 (E_RNA) where: Base-Base interactions energy: -1237.639 where: short stacking energy: -490.042 Base-Backbone interact. energy: 3.811 local terms energy: -565.262614 where: bonds (distance) C4'-P energy: -111.390 bonds (distance) P-C4' energy: -112.125 flat angles C4'-P-C4' energy: -114.950 flat angles P-C4'-P energy: -74.049 tors. eta vs tors. theta energy: -152.747 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: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1657.104625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.104625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.104625 (E_RNA) where: Base-Base interactions energy: -1108.769 where: short stacking energy: -439.474 Base-Backbone interact. energy: -3.360 local terms energy: -544.975284 where: bonds (distance) C4'-P energy: -111.539 bonds (distance) P-C4' energy: -110.046 flat angles C4'-P-C4' energy: -119.584 flat angles P-C4'-P energy: -68.045 tors. eta vs tors. theta energy: -135.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1507.093949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.093949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.093949 (E_RNA) where: Base-Base interactions energy: -1005.844 where: short stacking energy: -437.303 Base-Backbone interact. energy: -5.191 local terms energy: -496.059218 where: bonds (distance) C4'-P energy: -106.443 bonds (distance) P-C4' energy: -99.942 flat angles C4'-P-C4' energy: -118.495 flat angles P-C4'-P energy: -57.776 tors. eta vs tors. theta energy: -113.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1449.387576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.387576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.387576 (E_RNA) where: Base-Base interactions energy: -938.031 where: short stacking energy: -431.476 Base-Backbone interact. energy: 1.039 local terms energy: -512.395803 where: bonds (distance) C4'-P energy: -99.629 bonds (distance) P-C4' energy: -106.338 flat angles C4'-P-C4' energy: -110.589 flat angles P-C4'-P energy: -62.764 tors. eta vs tors. theta energy: -133.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1075.707233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.707233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.707233 (E_RNA) where: Base-Base interactions energy: -661.672 where: short stacking energy: -322.813 Base-Backbone interact. energy: -2.495 local terms energy: -411.540018 where: bonds (distance) C4'-P energy: -80.806 bonds (distance) P-C4' energy: -95.260 flat angles C4'-P-C4' energy: -100.359 flat angles P-C4'-P energy: -59.255 tors. eta vs tors. theta energy: -75.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -888.681287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.681287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.681287 (E_RNA) where: Base-Base interactions energy: -501.965 where: short stacking energy: -268.681 Base-Backbone interact. energy: -1.519 local terms energy: -385.196886 where: bonds (distance) C4'-P energy: -85.850 bonds (distance) P-C4' energy: -97.693 flat angles C4'-P-C4' energy: -95.981 flat angles P-C4'-P energy: -59.943 tors. eta vs tors. theta energy: -45.730 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: 426 Temperature: 1.250000 Total energy: -707.570663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.570663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.570663 (E_RNA) where: Base-Base interactions energy: -368.897 where: short stacking energy: -200.968 Base-Backbone interact. energy: 0.120 local terms energy: -338.793228 where: bonds (distance) C4'-P energy: -106.649 bonds (distance) P-C4' energy: -86.771 flat angles C4'-P-C4' energy: -83.602 flat angles P-C4'-P energy: -28.166 tors. eta vs tors. theta energy: -33.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -462.302674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.302674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.302674 (E_RNA) where: Base-Base interactions energy: -186.831 where: short stacking energy: -136.932 Base-Backbone interact. energy: -2.470 local terms energy: -273.001434 where: bonds (distance) C4'-P energy: -76.914 bonds (distance) P-C4' energy: -90.071 flat angles C4'-P-C4' energy: -64.925 flat angles P-C4'-P energy: -59.449 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: 10, replica: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -458.767942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.767942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.767942 (E_RNA) where: Base-Base interactions energy: -183.223 where: short stacking energy: -150.376 Base-Backbone interact. energy: -0.585 local terms energy: -274.959764 where: bonds (distance) C4'-P energy: -98.597 bonds (distance) P-C4' energy: -86.045 flat angles C4'-P-C4' energy: -81.774 flat angles P-C4'-P energy: -31.355 tors. eta vs tors. theta energy: 22.812 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: 427 Temperature: 0.900000 Total energy: -1923.299119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.299119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.299119 (E_RNA) where: Base-Base interactions energy: -1316.965 where: short stacking energy: -544.866 Base-Backbone interact. energy: -2.717 local terms energy: -603.617332 where: bonds (distance) C4'-P energy: -106.549 bonds (distance) P-C4' energy: -113.784 flat angles C4'-P-C4' energy: -132.092 flat angles P-C4'-P energy: -81.701 tors. eta vs tors. theta energy: -169.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1802.582080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.582080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.582080 (E_RNA) where: Base-Base interactions energy: -1234.998 where: short stacking energy: -504.691 Base-Backbone interact. energy: -1.134 local terms energy: -566.449475 where: bonds (distance) C4'-P energy: -113.735 bonds (distance) P-C4' energy: -102.550 flat angles C4'-P-C4' energy: -116.814 flat angles P-C4'-P energy: -82.544 tors. eta vs tors. theta energy: -150.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1672.670038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.670038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.670038 (E_RNA) where: Base-Base interactions energy: -1130.643 where: short stacking energy: -464.097 Base-Backbone interact. energy: 0.120 local terms energy: -542.146915 where: bonds (distance) C4'-P energy: -103.646 bonds (distance) P-C4' energy: -106.734 flat angles C4'-P-C4' energy: -119.160 flat angles P-C4'-P energy: -77.954 tors. eta vs tors. theta energy: -134.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1527.064245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.064245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.064245 (E_RNA) where: Base-Base interactions energy: -1025.734 where: short stacking energy: -427.645 Base-Backbone interact. energy: 0.510 local terms energy: -501.840642 where: bonds (distance) C4'-P energy: -102.618 bonds (distance) P-C4' energy: -113.822 flat angles C4'-P-C4' energy: -95.501 flat angles P-C4'-P energy: -75.190 tors. eta vs tors. theta energy: -114.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1462.475848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.475848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.475848 (E_RNA) where: Base-Base interactions energy: -979.582 where: short stacking energy: -433.513 Base-Backbone interact. energy: -2.989 local terms energy: -479.905307 where: bonds (distance) C4'-P energy: -96.450 bonds (distance) P-C4' energy: -90.769 flat angles C4'-P-C4' energy: -112.541 flat angles P-C4'-P energy: -61.994 tors. eta vs tors. theta energy: -118.152 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: 2 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1095.789938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.789938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.789938 (E_RNA) where: Base-Base interactions energy: -663.636 where: short stacking energy: -314.528 Base-Backbone interact. energy: 0.765 local terms energy: -432.918164 where: bonds (distance) C4'-P energy: -107.139 bonds (distance) P-C4' energy: -96.143 flat angles C4'-P-C4' energy: -111.179 flat angles P-C4'-P energy: -67.168 tors. eta vs tors. theta energy: -51.289 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: 7, replica: 10 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -913.173754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.173754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.173754 (E_RNA) where: Base-Base interactions energy: -483.100 where: short stacking energy: -259.233 Base-Backbone interact. energy: 2.109 local terms energy: -432.182933 where: bonds (distance) C4'-P energy: -105.514 bonds (distance) P-C4' energy: -106.568 flat angles C4'-P-C4' energy: -111.760 flat angles P-C4'-P energy: -56.338 tors. eta vs tors. theta energy: -52.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -502.784876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.784876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.784876 (E_RNA) where: Base-Base interactions energy: -182.062 where: short stacking energy: -154.559 Base-Backbone interact. energy: -2.216 local terms energy: -318.506824 where: bonds (distance) C4'-P energy: -90.436 bonds (distance) P-C4' energy: -99.842 flat angles C4'-P-C4' energy: -91.256 flat angles P-C4'-P energy: -44.671 tors. eta vs tors. theta energy: 7.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -615.987096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.987096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.987096 (E_RNA) where: Base-Base interactions energy: -288.469 where: short stacking energy: -173.709 Base-Backbone interact. energy: 2.241 local terms energy: -329.759335 where: bonds (distance) C4'-P energy: -93.250 bonds (distance) P-C4' energy: -105.173 flat angles C4'-P-C4' energy: -80.596 flat angles P-C4'-P energy: -51.154 tors. eta vs tors. theta energy: 0.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -433.629868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.629868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.629868 (E_RNA) where: Base-Base interactions energy: -139.896 where: short stacking energy: -109.140 Base-Backbone interact. energy: -1.072 local terms energy: -292.661857 where: bonds (distance) C4'-P energy: -81.805 bonds (distance) P-C4' energy: -98.355 flat angles C4'-P-C4' energy: -85.322 flat angles P-C4'-P energy: -53.289 tors. eta vs tors. theta energy: 26.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1944.531336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.531336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.531336 (E_RNA) where: Base-Base interactions energy: -1324.146 where: short stacking energy: -586.413 Base-Backbone interact. energy: 0.758 local terms energy: -621.143334 where: bonds (distance) C4'-P energy: -110.690 bonds (distance) P-C4' energy: -110.100 flat angles C4'-P-C4' energy: -134.507 flat angles P-C4'-P energy: -86.659 tors. eta vs tors. theta energy: -179.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1834.247111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.247111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.247111 (E_RNA) where: Base-Base interactions energy: -1254.596 where: short stacking energy: -486.032 Base-Backbone interact. energy: -3.879 local terms energy: -575.771714 where: bonds (distance) C4'-P energy: -110.088 bonds (distance) P-C4' energy: -116.130 flat angles C4'-P-C4' energy: -113.306 flat angles P-C4'-P energy: -80.212 tors. eta vs tors. theta energy: -156.036 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: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1707.632197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.632197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.632197 (E_RNA) where: Base-Base interactions energy: -1159.002 where: short stacking energy: -473.307 Base-Backbone interact. energy: -5.201 local terms energy: -543.428808 where: bonds (distance) C4'-P energy: -104.781 bonds (distance) P-C4' energy: -104.631 flat angles C4'-P-C4' energy: -126.554 flat angles P-C4'-P energy: -69.092 tors. eta vs tors. theta energy: -138.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1499.503610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.503610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.503610 (E_RNA) where: Base-Base interactions energy: -1002.305 where: short stacking energy: -446.466 Base-Backbone interact. energy: -1.042 local terms energy: -496.155841 where: bonds (distance) C4'-P energy: -88.605 bonds (distance) P-C4' energy: -102.619 flat angles C4'-P-C4' energy: -114.905 flat angles P-C4'-P energy: -66.480 tors. eta vs tors. theta energy: -123.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1427.581299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.581299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.581299 (E_RNA) where: Base-Base interactions energy: -938.784 where: short stacking energy: -405.543 Base-Backbone interact. energy: 1.522 local terms energy: -490.319943 where: bonds (distance) C4'-P energy: -93.356 bonds (distance) P-C4' energy: -100.496 flat angles C4'-P-C4' energy: -120.578 flat angles P-C4'-P energy: -57.399 tors. eta vs tors. theta energy: -118.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1156.069157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.069157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.069157 (E_RNA) where: Base-Base interactions energy: -702.495 where: short stacking energy: -328.347 Base-Backbone interact. energy: -0.873 local terms energy: -452.700938 where: bonds (distance) C4'-P energy: -103.440 bonds (distance) P-C4' energy: -84.941 flat angles C4'-P-C4' energy: -106.344 flat angles P-C4'-P energy: -80.896 tors. eta vs tors. theta energy: -77.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -901.039306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.039306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.039306 (E_RNA) where: Base-Base interactions energy: -519.674 where: short stacking energy: -263.677 Base-Backbone interact. energy: 1.160 local terms energy: -382.525561 where: bonds (distance) C4'-P energy: -78.507 bonds (distance) P-C4' energy: -98.927 flat angles C4'-P-C4' energy: -100.989 flat angles P-C4'-P energy: -72.542 tors. eta vs tors. theta energy: -31.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -541.870645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.870645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.870645 (E_RNA) where: Base-Base interactions energy: -223.953 where: short stacking energy: -177.524 Base-Backbone interact. energy: 6.111 local terms energy: -324.029131 where: bonds (distance) C4'-P energy: -96.647 bonds (distance) P-C4' energy: -98.141 flat angles C4'-P-C4' energy: -94.793 flat angles P-C4'-P energy: -44.751 tors. eta vs tors. theta energy: 10.304 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: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -586.671928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.671928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.671928 (E_RNA) where: Base-Base interactions energy: -279.812 where: short stacking energy: -160.206 Base-Backbone interact. energy: 5.583 local terms energy: -312.442962 where: bonds (distance) C4'-P energy: -79.339 bonds (distance) P-C4' energy: -94.633 flat angles C4'-P-C4' energy: -81.941 flat angles P-C4'-P energy: -61.028 tors. eta vs tors. theta energy: 4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -436.221120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.221120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.221120 (E_RNA) where: Base-Base interactions energy: -148.033 where: short stacking energy: -120.416 Base-Backbone interact. energy: 1.134 local terms energy: -289.322836 where: bonds (distance) C4'-P energy: -83.952 bonds (distance) P-C4' energy: -105.633 flat angles C4'-P-C4' energy: -73.309 flat angles P-C4'-P energy: -42.710 tors. eta vs tors. theta energy: 16.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1932.138186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.138186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.138186 (E_RNA) where: Base-Base interactions energy: -1314.185 where: short stacking energy: -561.658 Base-Backbone interact. energy: 1.883 local terms energy: -619.836529 where: bonds (distance) C4'-P energy: -108.409 bonds (distance) P-C4' energy: -114.329 flat angles C4'-P-C4' energy: -125.771 flat angles P-C4'-P energy: -94.013 tors. eta vs tors. theta energy: -177.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1812.538171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.538171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.538171 (E_RNA) where: Base-Base interactions energy: -1258.245 where: short stacking energy: -490.629 Base-Backbone interact. energy: -3.537 local terms energy: -550.756455 where: bonds (distance) C4'-P energy: -104.991 bonds (distance) P-C4' energy: -92.850 flat angles C4'-P-C4' energy: -114.836 flat angles P-C4'-P energy: -88.614 tors. eta vs tors. theta energy: -149.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1696.793011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.793011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.793011 (E_RNA) where: Base-Base interactions energy: -1133.247 where: short stacking energy: -467.666 Base-Backbone interact. energy: -3.268 local terms energy: -560.278887 where: bonds (distance) C4'-P energy: -106.543 bonds (distance) P-C4' energy: -119.791 flat angles C4'-P-C4' energy: -109.190 flat angles P-C4'-P energy: -78.236 tors. eta vs tors. theta energy: -146.520 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: 429 Temperature: 1.050000 Total energy: -1487.505469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.505469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.505469 (E_RNA) where: Base-Base interactions energy: -987.636 where: short stacking energy: -429.815 Base-Backbone interact. energy: -1.595 local terms energy: -498.273873 where: bonds (distance) C4'-P energy: -93.415 bonds (distance) P-C4' energy: -102.255 flat angles C4'-P-C4' energy: -109.281 flat angles P-C4'-P energy: -72.354 tors. eta vs tors. theta energy: -120.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1440.386363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.386363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.386363 (E_RNA) where: Base-Base interactions energy: -953.615 where: short stacking energy: -436.407 Base-Backbone interact. energy: 0.619 local terms energy: -487.389502 where: bonds (distance) C4'-P energy: -100.570 bonds (distance) P-C4' energy: -97.671 flat angles C4'-P-C4' energy: -116.357 flat angles P-C4'-P energy: -54.872 tors. eta vs tors. theta energy: -117.920 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: 2 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1159.342328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.342328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.342328 (E_RNA) where: Base-Base interactions energy: -716.773 where: short stacking energy: -336.467 Base-Backbone interact. energy: -2.990 local terms energy: -439.579191 where: bonds (distance) C4'-P energy: -100.285 bonds (distance) P-C4' energy: -95.395 flat angles C4'-P-C4' energy: -103.235 flat angles P-C4'-P energy: -61.351 tors. eta vs tors. theta energy: -79.313 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: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -860.554297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.554297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.554297 (E_RNA) where: Base-Base interactions energy: -465.699 where: short stacking energy: -250.643 Base-Backbone interact. energy: -2.293 local terms energy: -392.561986 where: bonds (distance) C4'-P energy: -108.321 bonds (distance) P-C4' energy: -102.437 flat angles C4'-P-C4' energy: -88.394 flat angles P-C4'-P energy: -52.874 tors. eta vs tors. theta energy: -40.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -626.916836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.916836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.916836 (E_RNA) where: Base-Base interactions energy: -305.310 where: short stacking energy: -169.691 Base-Backbone interact. energy: -3.092 local terms energy: -318.515027 where: bonds (distance) C4'-P energy: -89.122 bonds (distance) P-C4' energy: -88.809 flat angles C4'-P-C4' energy: -93.161 flat angles P-C4'-P energy: -48.869 tors. eta vs tors. theta energy: 1.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -509.516957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.516957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.516957 (E_RNA) where: Base-Base interactions energy: -218.548 where: short stacking energy: -137.289 Base-Backbone interact. energy: -0.142 local terms energy: -290.826834 where: bonds (distance) C4'-P energy: -89.116 bonds (distance) P-C4' energy: -95.217 flat angles C4'-P-C4' energy: -67.053 flat angles P-C4'-P energy: -41.476 tors. eta vs tors. theta energy: 2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -438.244497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.244497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.244497 (E_RNA) where: Base-Base interactions energy: -153.107 where: short stacking energy: -107.776 Base-Backbone interact. energy: -2.400 local terms energy: -282.738107 where: bonds (distance) C4'-P energy: -76.639 bonds (distance) P-C4' energy: -100.175 flat angles C4'-P-C4' energy: -77.239 flat angles P-C4'-P energy: -47.157 tors. eta vs tors. theta energy: 18.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1901.030742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.030742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.030742 (E_RNA) where: Base-Base interactions energy: -1293.038 where: short stacking energy: -539.671 Base-Backbone interact. energy: 2.229 local terms energy: -610.221882 where: bonds (distance) C4'-P energy: -117.789 bonds (distance) P-C4' energy: -109.848 flat angles C4'-P-C4' energy: -134.247 flat angles P-C4'-P energy: -84.052 tors. eta vs tors. theta energy: -164.286 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: 3 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1801.110400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.110400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.110400 (E_RNA) where: Base-Base interactions energy: -1241.860 where: short stacking energy: -483.269 Base-Backbone interact. energy: -3.149 local terms energy: -556.101172 where: bonds (distance) C4'-P energy: -108.914 bonds (distance) P-C4' energy: -106.429 flat angles C4'-P-C4' energy: -119.375 flat angles P-C4'-P energy: -76.696 tors. eta vs tors. theta energy: -144.687 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: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1662.524215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.524215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.524215 (E_RNA) where: Base-Base interactions energy: -1096.644 where: short stacking energy: -472.543 Base-Backbone interact. energy: -4.551 local terms energy: -561.329008 where: bonds (distance) C4'-P energy: -110.131 bonds (distance) P-C4' energy: -115.857 flat angles C4'-P-C4' energy: -117.067 flat angles P-C4'-P energy: -75.690 tors. eta vs tors. theta energy: -142.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1494.308470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.308470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.308470 (E_RNA) where: Base-Base interactions energy: -1011.908 where: short stacking energy: -424.417 Base-Backbone interact. energy: -2.434 local terms energy: -479.965894 where: bonds (distance) C4'-P energy: -97.640 bonds (distance) P-C4' energy: -96.220 flat angles C4'-P-C4' energy: -110.647 flat angles P-C4'-P energy: -58.440 tors. eta vs tors. theta energy: -117.018 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: 5, replica: 8 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1407.959931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.959931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.959931 (E_RNA) where: Base-Base interactions energy: -918.239 where: short stacking energy: -399.540 Base-Backbone interact. energy: 0.405 local terms energy: -490.126191 where: bonds (distance) C4'-P energy: -100.980 bonds (distance) P-C4' energy: -93.993 flat angles C4'-P-C4' energy: -111.966 flat angles P-C4'-P energy: -70.915 tors. eta vs tors. theta energy: -112.272 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: 2 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1231.386200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.386200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.386200 (E_RNA) where: Base-Base interactions energy: -795.650 where: short stacking energy: -347.628 Base-Backbone interact. energy: -0.714 local terms energy: -435.022024 where: bonds (distance) C4'-P energy: -87.431 bonds (distance) P-C4' energy: -101.772 flat angles C4'-P-C4' energy: -107.708 flat angles P-C4'-P energy: -58.624 tors. eta vs tors. theta energy: -79.486 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: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -888.227332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.227332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.227332 (E_RNA) where: Base-Base interactions energy: -512.832 where: short stacking energy: -254.448 Base-Backbone interact. energy: -2.457 local terms energy: -372.937839 where: bonds (distance) C4'-P energy: -97.689 bonds (distance) P-C4' energy: -102.322 flat angles C4'-P-C4' energy: -90.587 flat angles P-C4'-P energy: -44.318 tors. eta vs tors. theta energy: -38.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -650.981750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.981750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.981750 (E_RNA) where: Base-Base interactions energy: -301.890 where: short stacking energy: -197.233 Base-Backbone interact. energy: 1.032 local terms energy: -350.123869 where: bonds (distance) C4'-P energy: -100.198 bonds (distance) P-C4' energy: -85.958 flat angles C4'-P-C4' energy: -93.278 flat angles P-C4'-P energy: -61.117 tors. eta vs tors. theta energy: -9.573 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: 430 Temperature: 1.300000 Total energy: -551.252666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.252666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.252666 (E_RNA) where: Base-Base interactions energy: -243.772 where: short stacking energy: -151.730 Base-Backbone interact. energy: -2.166 local terms energy: -305.314566 where: bonds (distance) C4'-P energy: -100.639 bonds (distance) P-C4' energy: -90.605 flat angles C4'-P-C4' energy: -78.464 flat angles P-C4'-P energy: -57.176 tors. eta vs tors. theta energy: 21.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -411.186952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.186952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.186952 (E_RNA) where: Base-Base interactions energy: -149.502 where: short stacking energy: -122.609 Base-Backbone interact. energy: -2.737 local terms energy: -258.947760 where: bonds (distance) C4'-P energy: -74.964 bonds (distance) P-C4' energy: -97.351 flat angles C4'-P-C4' energy: -51.899 flat angles P-C4'-P energy: -44.556 tors. eta vs tors. theta energy: 9.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1903.083383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.083383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.083383 (E_RNA) where: Base-Base interactions energy: -1299.739 where: short stacking energy: -562.085 Base-Backbone interact. energy: -0.943 local terms energy: -602.400964 where: bonds (distance) C4'-P energy: -98.169 bonds (distance) P-C4' energy: -119.275 flat angles C4'-P-C4' energy: -118.809 flat angles P-C4'-P energy: -89.964 tors. eta vs tors. theta energy: -176.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1851.049821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.049821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.049821 (E_RNA) where: Base-Base interactions energy: -1305.864 where: short stacking energy: -525.349 Base-Backbone interact. energy: -1.870 local terms energy: -543.315352 where: bonds (distance) C4'-P energy: -97.383 bonds (distance) P-C4' energy: -99.623 flat angles C4'-P-C4' energy: -117.690 flat angles P-C4'-P energy: -75.773 tors. eta vs tors. theta energy: -152.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1675.319524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.319524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.319524 (E_RNA) where: Base-Base interactions energy: -1131.445 where: short stacking energy: -479.706 Base-Backbone interact. energy: -5.949 local terms energy: -537.925288 where: bonds (distance) C4'-P energy: -93.646 bonds (distance) P-C4' energy: -123.468 flat angles C4'-P-C4' energy: -114.766 flat angles P-C4'-P energy: -78.044 tors. eta vs tors. theta energy: -128.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1538.515294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.515294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.515294 (E_RNA) where: Base-Base interactions energy: -1009.059 where: short stacking energy: -458.910 Base-Backbone interact. energy: 0.852 local terms energy: -530.308612 where: bonds (distance) C4'-P energy: -96.624 bonds (distance) P-C4' energy: -112.502 flat angles C4'-P-C4' energy: -113.317 flat angles P-C4'-P energy: -75.580 tors. eta vs tors. theta energy: -132.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1413.747531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.747531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.747531 (E_RNA) where: Base-Base interactions energy: -935.935 where: short stacking energy: -404.582 Base-Backbone interact. energy: -1.694 local terms energy: -476.118204 where: bonds (distance) C4'-P energy: -89.653 bonds (distance) P-C4' energy: -112.922 flat angles C4'-P-C4' energy: -97.352 flat angles P-C4'-P energy: -63.815 tors. eta vs tors. theta energy: -112.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1097.829854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.829854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.829854 (E_RNA) where: Base-Base interactions energy: -666.321 where: short stacking energy: -314.389 Base-Backbone interact. energy: -0.562 local terms energy: -430.947002 where: bonds (distance) C4'-P energy: -89.423 bonds (distance) P-C4' energy: -96.992 flat angles C4'-P-C4' energy: -106.307 flat angles P-C4'-P energy: -71.310 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: 7, replica: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -899.098085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.098085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.098085 (E_RNA) where: Base-Base interactions energy: -510.382 where: short stacking energy: -255.441 Base-Backbone interact. energy: -2.111 local terms energy: -386.605678 where: bonds (distance) C4'-P energy: -95.999 bonds (distance) P-C4' energy: -115.316 flat angles C4'-P-C4' energy: -85.861 flat angles P-C4'-P energy: -44.827 tors. eta vs tors. theta energy: -44.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -638.404275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.404275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.404275 (E_RNA) where: Base-Base interactions energy: -307.107 where: short stacking energy: -196.715 Base-Backbone interact. energy: -3.026 local terms energy: -328.271268 where: bonds (distance) C4'-P energy: -77.410 bonds (distance) P-C4' energy: -91.748 flat angles C4'-P-C4' energy: -81.471 flat angles P-C4'-P energy: -64.027 tors. eta vs tors. theta energy: -13.615 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: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -568.132537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.132537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.132537 (E_RNA) where: Base-Base interactions energy: -260.559 where: short stacking energy: -174.870 Base-Backbone interact. energy: 3.052 local terms energy: -310.625644 where: bonds (distance) C4'-P energy: -93.795 bonds (distance) P-C4' energy: -98.498 flat angles C4'-P-C4' energy: -78.450 flat angles P-C4'-P energy: -38.752 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -431.542038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.542038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.542038 (E_RNA) where: Base-Base interactions energy: -163.353 where: short stacking energy: -104.851 Base-Backbone interact. energy: -2.253 local terms energy: -265.936095 where: bonds (distance) C4'-P energy: -91.385 bonds (distance) P-C4' energy: -100.657 flat angles C4'-P-C4' energy: -73.832 flat angles P-C4'-P energy: -31.715 tors. eta vs tors. theta energy: 31.652 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: 1, replica: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1950.774633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.774633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.774633 (E_RNA) where: Base-Base interactions energy: -1323.698 where: short stacking energy: -577.457 Base-Backbone interact. energy: 0.593 local terms energy: -627.670403 where: bonds (distance) C4'-P energy: -113.278 bonds (distance) P-C4' energy: -119.733 flat angles C4'-P-C4' energy: -134.571 flat angles P-C4'-P energy: -84.358 tors. eta vs tors. theta energy: -175.730 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: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1803.569920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.569920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.569920 (E_RNA) where: Base-Base interactions energy: -1236.304 where: short stacking energy: -493.275 Base-Backbone interact. energy: -1.821 local terms energy: -565.444896 where: bonds (distance) C4'-P energy: -108.152 bonds (distance) P-C4' energy: -113.277 flat angles C4'-P-C4' energy: -113.576 flat angles P-C4'-P energy: -78.565 tors. eta vs tors. theta energy: -151.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1686.361887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.361887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.361887 (E_RNA) where: Base-Base interactions energy: -1123.797 where: short stacking energy: -480.208 Base-Backbone interact. energy: 2.085 local terms energy: -564.650084 where: bonds (distance) C4'-P energy: -100.218 bonds (distance) P-C4' energy: -117.121 flat angles C4'-P-C4' energy: -115.475 flat angles P-C4'-P energy: -81.490 tors. eta vs tors. theta energy: -150.346 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: 432 Temperature: 1.050000 Total energy: -1573.725600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.725600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.725600 (E_RNA) where: Base-Base interactions energy: -1054.581 where: short stacking energy: -463.368 Base-Backbone interact. energy: 0.154 local terms energy: -519.298727 where: bonds (distance) C4'-P energy: -78.809 bonds (distance) P-C4' energy: -107.607 flat angles C4'-P-C4' energy: -119.454 flat angles P-C4'-P energy: -75.635 tors. eta vs tors. theta energy: -137.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1391.075104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.075104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.075104 (E_RNA) where: Base-Base interactions energy: -908.586 where: short stacking energy: -415.337 Base-Backbone interact. energy: 1.769 local terms energy: -484.258121 where: bonds (distance) C4'-P energy: -86.624 bonds (distance) P-C4' energy: -106.383 flat angles C4'-P-C4' energy: -98.691 flat angles P-C4'-P energy: -72.644 tors. eta vs tors. theta energy: -119.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1133.971824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.971824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.971824 (E_RNA) where: Base-Base interactions energy: -705.740 where: short stacking energy: -323.149 Base-Backbone interact. energy: -0.222 local terms energy: -428.009757 where: bonds (distance) C4'-P energy: -86.905 bonds (distance) P-C4' energy: -104.474 flat angles C4'-P-C4' energy: -98.205 flat angles P-C4'-P energy: -62.884 tors. eta vs tors. theta energy: -75.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -925.684323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.684323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.684323 (E_RNA) where: Base-Base interactions energy: -527.887 where: short stacking energy: -254.323 Base-Backbone interact. energy: -0.197 local terms energy: -397.599604 where: bonds (distance) C4'-P energy: -92.690 bonds (distance) P-C4' energy: -103.162 flat angles C4'-P-C4' energy: -100.206 flat angles P-C4'-P energy: -60.521 tors. eta vs tors. theta energy: -41.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -651.810545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.810545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.810545 (E_RNA) where: Base-Base interactions energy: -330.351 where: short stacking energy: -179.973 Base-Backbone interact. energy: 2.397 local terms energy: -323.855625 where: bonds (distance) C4'-P energy: -103.257 bonds (distance) P-C4' energy: -106.365 flat angles C4'-P-C4' energy: -80.076 flat angles P-C4'-P energy: -40.825 tors. eta vs tors. theta energy: 6.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -577.417593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.417593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.417593 (E_RNA) where: Base-Base interactions energy: -251.740 where: short stacking energy: -158.372 Base-Backbone interact. energy: 1.598 local terms energy: -327.276159 where: bonds (distance) C4'-P energy: -72.049 bonds (distance) P-C4' energy: -112.932 flat angles C4'-P-C4' energy: -83.400 flat angles P-C4'-P energy: -61.381 tors. eta vs tors. theta energy: 2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -417.929062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.929062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.929062 (E_RNA) where: Base-Base interactions energy: -103.520 where: short stacking energy: -88.772 Base-Backbone interact. energy: -1.499 local terms energy: -312.910296 where: bonds (distance) C4'-P energy: -92.499 bonds (distance) P-C4' energy: -111.759 flat angles C4'-P-C4' energy: -79.506 flat angles P-C4'-P energy: -48.977 tors. eta vs tors. theta energy: 19.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1929.048282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.048282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.048282 (E_RNA) where: Base-Base interactions energy: -1314.605 where: short stacking energy: -577.338 Base-Backbone interact. energy: 0.087 local terms energy: -614.529738 where: bonds (distance) C4'-P energy: -111.686 bonds (distance) P-C4' energy: -110.796 flat angles C4'-P-C4' energy: -133.230 flat angles P-C4'-P energy: -79.301 tors. eta vs tors. theta energy: -179.516 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: 3 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1798.308440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.308440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.308440 (E_RNA) where: Base-Base interactions energy: -1225.596 where: short stacking energy: -499.897 Base-Backbone interact. energy: -4.170 local terms energy: -568.542138 where: bonds (distance) C4'-P energy: -109.594 bonds (distance) P-C4' energy: -100.678 flat angles C4'-P-C4' energy: -124.708 flat angles P-C4'-P energy: -82.335 tors. eta vs tors. theta energy: -151.228 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: 433 Temperature: 1.000000 Total energy: -1683.385943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.385943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.385943 (E_RNA) where: Base-Base interactions energy: -1126.556 where: short stacking energy: -484.694 Base-Backbone interact. energy: -2.377 local terms energy: -554.452629 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -121.043 flat angles C4'-P-C4' energy: -114.090 flat angles P-C4'-P energy: -76.102 tors. eta vs tors. theta energy: -150.151 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: 6 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1561.500303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.500303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.500303 (E_RNA) where: Base-Base interactions energy: -1040.489 where: short stacking energy: -447.607 Base-Backbone interact. energy: 0.681 local terms energy: -521.692508 where: bonds (distance) C4'-P energy: -114.741 bonds (distance) P-C4' energy: -88.983 flat angles C4'-P-C4' energy: -107.392 flat angles P-C4'-P energy: -87.148 tors. eta vs tors. theta energy: -123.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1392.323135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.323135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.323135 (E_RNA) where: Base-Base interactions energy: -915.787 where: short stacking energy: -392.557 Base-Backbone interact. energy: -1.675 local terms energy: -474.861722 where: bonds (distance) C4'-P energy: -92.156 bonds (distance) P-C4' energy: -97.511 flat angles C4'-P-C4' energy: -108.650 flat angles P-C4'-P energy: -65.352 tors. eta vs tors. theta energy: -111.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1147.334091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.334091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.334091 (E_RNA) where: Base-Base interactions energy: -713.942 where: short stacking energy: -318.885 Base-Backbone interact. energy: 1.271 local terms energy: -434.663351 where: bonds (distance) C4'-P energy: -86.574 bonds (distance) P-C4' energy: -103.872 flat angles C4'-P-C4' energy: -102.126 flat angles P-C4'-P energy: -72.345 tors. eta vs tors. theta energy: -69.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -886.009971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.009971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.009971 (E_RNA) where: Base-Base interactions energy: -495.270 where: short stacking energy: -254.811 Base-Backbone interact. energy: -2.878 local terms energy: -387.861636 where: bonds (distance) C4'-P energy: -82.801 bonds (distance) P-C4' energy: -107.142 flat angles C4'-P-C4' energy: -93.374 flat angles P-C4'-P energy: -53.302 tors. eta vs tors. theta energy: -51.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -664.293648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.293648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.293648 (E_RNA) where: Base-Base interactions energy: -313.667 where: short stacking energy: -189.169 Base-Backbone interact. energy: 3.818 local terms energy: -354.444742 where: bonds (distance) C4'-P energy: -95.342 bonds (distance) P-C4' energy: -108.712 flat angles C4'-P-C4' energy: -84.149 flat angles P-C4'-P energy: -58.284 tors. eta vs tors. theta energy: -7.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -535.394612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.394612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.394612 (E_RNA) where: Base-Base interactions energy: -241.703 where: short stacking energy: -146.673 Base-Backbone interact. energy: 2.245 local terms energy: -295.936249 where: bonds (distance) C4'-P energy: -84.904 bonds (distance) P-C4' energy: -96.309 flat angles C4'-P-C4' energy: -79.815 flat angles P-C4'-P energy: -42.314 tors. eta vs tors. theta energy: 7.407 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: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -416.512887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.512887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.512887 (E_RNA) where: Base-Base interactions energy: -117.816 where: short stacking energy: -98.006 Base-Backbone interact. energy: 2.280 local terms energy: -300.977075 where: bonds (distance) C4'-P energy: -85.121 bonds (distance) P-C4' energy: -95.757 flat angles C4'-P-C4' energy: -78.211 flat angles P-C4'-P energy: -43.178 tors. eta vs tors. theta energy: 1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1914.698896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.698896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.698896 (E_RNA) where: Base-Base interactions energy: -1302.829 where: short stacking energy: -564.211 Base-Backbone interact. energy: -2.089 local terms energy: -609.780494 where: bonds (distance) C4'-P energy: -111.253 bonds (distance) P-C4' energy: -119.917 flat angles C4'-P-C4' energy: -124.957 flat angles P-C4'-P energy: -82.463 tors. eta vs tors. theta energy: -171.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1795.569918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.569918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.569918 (E_RNA) where: Base-Base interactions energy: -1213.293 where: short stacking energy: -507.329 Base-Backbone interact. energy: -5.821 local terms energy: -576.456702 where: bonds (distance) C4'-P energy: -106.364 bonds (distance) P-C4' energy: -111.919 flat angles C4'-P-C4' energy: -120.329 flat angles P-C4'-P energy: -81.017 tors. eta vs tors. theta energy: -156.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1732.961946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.961946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.961946 (E_RNA) where: Base-Base interactions energy: -1181.350 where: short stacking energy: -500.666 Base-Backbone interact. energy: -4.278 local terms energy: -547.333233 where: bonds (distance) C4'-P energy: -92.003 bonds (distance) P-C4' energy: -98.857 flat angles C4'-P-C4' energy: -123.335 flat angles P-C4'-P energy: -78.569 tors. eta vs tors. theta energy: -154.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1601.178196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.178196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.178196 (E_RNA) where: Base-Base interactions energy: -1089.233 where: short stacking energy: -447.321 Base-Backbone interact. energy: -1.986 local terms energy: -509.958945 where: bonds (distance) C4'-P energy: -95.750 bonds (distance) P-C4' energy: -101.770 flat angles C4'-P-C4' energy: -115.609 flat angles P-C4'-P energy: -66.096 tors. eta vs tors. theta energy: -130.733 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: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1368.164230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.164230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.164230 (E_RNA) where: Base-Base interactions energy: -888.242 where: short stacking energy: -373.049 Base-Backbone interact. energy: -1.353 local terms energy: -478.569195 where: bonds (distance) C4'-P energy: -83.066 bonds (distance) P-C4' energy: -114.835 flat angles C4'-P-C4' energy: -104.368 flat angles P-C4'-P energy: -68.207 tors. eta vs tors. theta energy: -108.093 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: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1142.374019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.374019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.374019 (E_RNA) where: Base-Base interactions energy: -710.552 where: short stacking energy: -330.610 Base-Backbone interact. energy: -3.496 local terms energy: -428.326385 where: bonds (distance) C4'-P energy: -95.831 bonds (distance) P-C4' energy: -107.279 flat angles C4'-P-C4' energy: -99.304 flat angles P-C4'-P energy: -65.091 tors. eta vs tors. theta energy: -60.821 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: 434 Temperature: 1.200000 Total energy: -880.171542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.171542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.171542 (E_RNA) where: Base-Base interactions energy: -469.897 where: short stacking energy: -270.882 Base-Backbone interact. energy: -2.326 local terms energy: -407.948521 where: bonds (distance) C4'-P energy: -94.909 bonds (distance) P-C4' energy: -108.507 flat angles C4'-P-C4' energy: -89.637 flat angles P-C4'-P energy: -64.557 tors. eta vs tors. theta energy: -50.339 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: 8, replica: 5 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -658.146049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.146049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.146049 (E_RNA) where: Base-Base interactions energy: -291.991 where: short stacking energy: -181.756 Base-Backbone interact. energy: 5.175 local terms energy: -371.330307 where: bonds (distance) C4'-P energy: -92.096 bonds (distance) P-C4' energy: -109.942 flat angles C4'-P-C4' energy: -89.323 flat angles P-C4'-P energy: -66.369 tors. eta vs tors. theta energy: -13.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -543.284080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.284080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.284080 (E_RNA) where: Base-Base interactions energy: -218.463 where: short stacking energy: -154.290 Base-Backbone interact. energy: -1.101 local terms energy: -323.721053 where: bonds (distance) C4'-P energy: -105.760 bonds (distance) P-C4' energy: -87.717 flat angles C4'-P-C4' energy: -87.001 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: -0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -410.357109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.357109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.357109 (E_RNA) where: Base-Base interactions energy: -114.135 where: short stacking energy: -80.408 Base-Backbone interact. energy: 5.353 local terms energy: -301.575205 where: bonds (distance) C4'-P energy: -109.968 bonds (distance) P-C4' energy: -83.425 flat angles C4'-P-C4' energy: -68.061 flat angles P-C4'-P energy: -57.146 tors. eta vs tors. theta energy: 17.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1909.698563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.698563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.698563 (E_RNA) where: Base-Base interactions energy: -1307.909 where: short stacking energy: -557.442 Base-Backbone interact. energy: 0.611 local terms energy: -602.401234 where: bonds (distance) C4'-P energy: -102.065 bonds (distance) P-C4' energy: -121.561 flat angles C4'-P-C4' energy: -123.375 flat angles P-C4'-P energy: -82.064 tors. eta vs tors. theta energy: -173.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1816.341757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.341757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.341757 (E_RNA) where: Base-Base interactions energy: -1261.898 where: short stacking energy: -502.397 Base-Backbone interact. energy: -2.365 local terms energy: -552.078628 where: bonds (distance) C4'-P energy: -102.148 bonds (distance) P-C4' energy: -105.567 flat angles C4'-P-C4' energy: -115.809 flat angles P-C4'-P energy: -76.331 tors. eta vs tors. theta energy: -152.224 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: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1753.875503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.875503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.875503 (E_RNA) where: Base-Base interactions energy: -1214.884 where: short stacking energy: -490.636 Base-Backbone interact. energy: 0.892 local terms energy: -539.883244 where: bonds (distance) C4'-P energy: -109.318 bonds (distance) P-C4' energy: -106.797 flat angles C4'-P-C4' energy: -108.090 flat angles P-C4'-P energy: -65.535 tors. eta vs tors. theta energy: -150.143 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: 6 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1584.606657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.606657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.606657 (E_RNA) where: Base-Base interactions energy: -1061.884 where: short stacking energy: -457.657 Base-Backbone interact. energy: -3.108 local terms energy: -519.614537 where: bonds (distance) C4'-P energy: -92.590 bonds (distance) P-C4' energy: -106.285 flat angles C4'-P-C4' energy: -116.969 flat angles P-C4'-P energy: -79.370 tors. eta vs tors. theta energy: -124.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1379.347281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.347281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.347281 (E_RNA) where: Base-Base interactions energy: -896.326 where: short stacking energy: -384.754 Base-Backbone interact. energy: 0.849 local terms energy: -483.870022 where: bonds (distance) C4'-P energy: -90.024 bonds (distance) P-C4' energy: -120.397 flat angles C4'-P-C4' energy: -111.790 flat angles P-C4'-P energy: -57.065 tors. eta vs tors. theta energy: -104.594 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: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1128.993471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.993471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.993471 (E_RNA) where: Base-Base interactions energy: -708.118 where: short stacking energy: -317.905 Base-Backbone interact. energy: -1.417 local terms energy: -419.458452 where: bonds (distance) C4'-P energy: -96.711 bonds (distance) P-C4' energy: -120.213 flat angles C4'-P-C4' energy: -93.346 flat angles P-C4'-P energy: -59.211 tors. eta vs tors. theta energy: -49.978 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: 10 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -904.529208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.529208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.529208 (E_RNA) where: Base-Base interactions energy: -509.227 where: short stacking energy: -258.682 Base-Backbone interact. energy: 0.211 local terms energy: -395.512475 where: bonds (distance) C4'-P energy: -99.813 bonds (distance) P-C4' energy: -96.880 flat angles C4'-P-C4' energy: -102.143 flat angles P-C4'-P energy: -52.446 tors. eta vs tors. theta energy: -44.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -777.352855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.352855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.352855 (E_RNA) where: Base-Base interactions energy: -424.505 where: short stacking energy: -232.818 Base-Backbone interact. energy: 1.245 local terms energy: -354.092666 where: bonds (distance) C4'-P energy: -90.258 bonds (distance) P-C4' energy: -105.161 flat angles C4'-P-C4' energy: -83.590 flat angles P-C4'-P energy: -49.427 tors. eta vs tors. theta energy: -25.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -521.538842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.538842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.538842 (E_RNA) where: Base-Base interactions energy: -209.711 where: short stacking energy: -141.506 Base-Backbone interact. energy: -3.488 local terms energy: -308.339954 where: bonds (distance) C4'-P energy: -92.594 bonds (distance) P-C4' energy: -102.731 flat angles C4'-P-C4' energy: -66.685 flat angles P-C4'-P energy: -45.022 tors. eta vs tors. theta energy: -1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -429.042228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.042228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.042228 (E_RNA) where: Base-Base interactions energy: -165.302 where: short stacking energy: -124.054 Base-Backbone interact. energy: -0.443 local terms energy: -263.297617 where: bonds (distance) C4'-P energy: -82.757 bonds (distance) P-C4' energy: -85.914 flat angles C4'-P-C4' energy: -77.316 flat angles P-C4'-P energy: -48.989 tors. eta vs tors. theta energy: 31.678 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: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1913.526076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.526076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.526076 (E_RNA) where: Base-Base interactions energy: -1313.397 where: short stacking energy: -565.587 Base-Backbone interact. energy: -2.692 local terms energy: -597.436968 where: bonds (distance) C4'-P energy: -104.810 bonds (distance) P-C4' energy: -115.217 flat angles C4'-P-C4' energy: -119.451 flat angles P-C4'-P energy: -87.956 tors. eta vs tors. theta energy: -170.004 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: 3 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1814.818005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.818005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.818005 (E_RNA) where: Base-Base interactions energy: -1260.743 where: short stacking energy: -507.607 Base-Backbone interact. energy: -4.323 local terms energy: -549.752450 where: bonds (distance) C4'-P energy: -89.625 bonds (distance) P-C4' energy: -110.140 flat angles C4'-P-C4' energy: -123.194 flat angles P-C4'-P energy: -83.522 tors. eta vs tors. theta energy: -143.272 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: 1 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1721.133036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.133036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.133036 (E_RNA) where: Base-Base interactions energy: -1171.375 where: short stacking energy: -482.516 Base-Backbone interact. energy: -2.920 local terms energy: -546.838677 where: bonds (distance) C4'-P energy: -106.054 bonds (distance) P-C4' energy: -106.514 flat angles C4'-P-C4' energy: -115.528 flat angles P-C4'-P energy: -71.165 tors. eta vs tors. theta energy: -147.578 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: 436 Temperature: 1.050000 Total energy: -1577.116643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.116643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.116643 (E_RNA) where: Base-Base interactions energy: -1049.365 where: short stacking energy: -446.564 Base-Backbone interact. energy: 0.573 local terms energy: -528.324873 where: bonds (distance) C4'-P energy: -106.666 bonds (distance) P-C4' energy: -115.868 flat angles C4'-P-C4' energy: -109.043 flat angles P-C4'-P energy: -62.419 tors. eta vs tors. theta energy: -134.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1359.505312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.505312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.505312 (E_RNA) where: Base-Base interactions energy: -907.426 where: short stacking energy: -370.371 Base-Backbone interact. energy: -0.294 local terms energy: -451.785176 where: bonds (distance) C4'-P energy: -90.171 bonds (distance) P-C4' energy: -107.388 flat angles C4'-P-C4' energy: -101.078 flat angles P-C4'-P energy: -57.971 tors. eta vs tors. theta energy: -95.178 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: 6, replica: 2 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1119.868967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.868967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.868967 (E_RNA) where: Base-Base interactions energy: -690.425 where: short stacking energy: -332.243 Base-Backbone interact. energy: -3.131 local terms energy: -426.313608 where: bonds (distance) C4'-P energy: -92.681 bonds (distance) P-C4' energy: -86.393 flat angles C4'-P-C4' energy: -102.252 flat angles P-C4'-P energy: -66.175 tors. eta vs tors. theta energy: -78.812 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: 436 Temperature: 1.200000 Total energy: -930.846407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.846407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.846407 (E_RNA) where: Base-Base interactions energy: -549.192 where: short stacking energy: -268.753 Base-Backbone interact. energy: -0.873 local terms energy: -380.781508 where: bonds (distance) C4'-P energy: -91.843 bonds (distance) P-C4' energy: -99.159 flat angles C4'-P-C4' energy: -89.257 flat angles P-C4'-P energy: -66.994 tors. eta vs tors. theta energy: -33.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -794.025444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.025444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.025444 (E_RNA) where: Base-Base interactions energy: -406.039 where: short stacking energy: -185.597 Base-Backbone interact. energy: 0.967 local terms energy: -388.953324 where: bonds (distance) C4'-P energy: -90.093 bonds (distance) P-C4' energy: -117.539 flat angles C4'-P-C4' energy: -95.897 flat angles P-C4'-P energy: -60.763 tors. eta vs tors. theta energy: -24.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -521.329988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.329988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.329988 (E_RNA) where: Base-Base interactions energy: -209.100 where: short stacking energy: -119.866 Base-Backbone interact. energy: 0.832 local terms energy: -313.061260 where: bonds (distance) C4'-P energy: -85.394 bonds (distance) P-C4' energy: -104.548 flat angles C4'-P-C4' energy: -85.906 flat angles P-C4'-P energy: -47.192 tors. eta vs tors. theta energy: 9.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -415.034806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.034806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.034806 (E_RNA) where: Base-Base interactions energy: -136.372 where: short stacking energy: -104.170 Base-Backbone interact. energy: -3.105 local terms energy: -275.557729 where: bonds (distance) C4'-P energy: -97.591 bonds (distance) P-C4' energy: -100.567 flat angles C4'-P-C4' energy: -66.849 flat angles P-C4'-P energy: -36.162 tors. eta vs tors. theta energy: 25.611 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: 437 Temperature: 0.900000 Total energy: -1931.600540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.600540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.600540 (E_RNA) where: Base-Base interactions energy: -1325.449 where: short stacking energy: -571.923 Base-Backbone interact. energy: -2.907 local terms energy: -603.244710 where: bonds (distance) C4'-P energy: -105.688 bonds (distance) P-C4' energy: -119.533 flat angles C4'-P-C4' energy: -119.756 flat angles P-C4'-P energy: -82.291 tors. eta vs tors. theta energy: -175.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1804.840855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.840855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.840855 (E_RNA) where: Base-Base interactions energy: -1229.407 where: short stacking energy: -462.325 Base-Backbone interact. energy: -1.613 local terms energy: -573.821049 where: bonds (distance) C4'-P energy: -113.980 bonds (distance) P-C4' energy: -107.116 flat angles C4'-P-C4' energy: -127.251 flat angles P-C4'-P energy: -80.650 tors. eta vs tors. theta energy: -144.824 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: 1 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1694.547636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.547636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.547636 (E_RNA) where: Base-Base interactions energy: -1160.518 where: short stacking energy: -445.421 Base-Backbone interact. energy: -6.819 local terms energy: -527.211283 where: bonds (distance) C4'-P energy: -105.424 bonds (distance) P-C4' energy: -101.167 flat angles C4'-P-C4' energy: -119.329 flat angles P-C4'-P energy: -66.063 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: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1554.398773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.398773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.398773 (E_RNA) where: Base-Base interactions energy: -1029.745 where: short stacking energy: -424.265 Base-Backbone interact. energy: 1.220 local terms energy: -525.873620 where: bonds (distance) C4'-P energy: -104.548 bonds (distance) P-C4' energy: -104.777 flat angles C4'-P-C4' energy: -102.552 flat angles P-C4'-P energy: -86.234 tors. eta vs tors. theta energy: -127.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1333.507196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.507196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.507196 (E_RNA) where: Base-Base interactions energy: -873.238 where: short stacking energy: -389.754 Base-Backbone interact. energy: 4.472 local terms energy: -464.741229 where: bonds (distance) C4'-P energy: -92.915 bonds (distance) P-C4' energy: -112.551 flat angles C4'-P-C4' energy: -90.356 flat angles P-C4'-P energy: -74.912 tors. eta vs tors. theta energy: -94.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1197.224341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.224341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.224341 (E_RNA) where: Base-Base interactions energy: -759.003 where: short stacking energy: -326.579 Base-Backbone interact. energy: 3.283 local terms energy: -441.504545 where: bonds (distance) C4'-P energy: -107.081 bonds (distance) P-C4' energy: -107.789 flat angles C4'-P-C4' energy: -98.181 flat angles P-C4'-P energy: -62.467 tors. eta vs tors. theta energy: -65.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -907.274026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.274026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.274026 (E_RNA) where: Base-Base interactions energy: -541.908 where: short stacking energy: -237.252 Base-Backbone interact. energy: -0.021 local terms energy: -365.345402 where: bonds (distance) C4'-P energy: -88.456 bonds (distance) P-C4' energy: -94.800 flat angles C4'-P-C4' energy: -97.023 flat angles P-C4'-P energy: -42.986 tors. eta vs tors. theta energy: -42.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -800.136255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.136255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.136255 (E_RNA) where: Base-Base interactions energy: -410.292 where: short stacking energy: -224.277 Base-Backbone interact. energy: -2.068 local terms energy: -387.776275 where: bonds (distance) C4'-P energy: -96.329 bonds (distance) P-C4' energy: -92.026 flat angles C4'-P-C4' energy: -104.736 flat angles P-C4'-P energy: -55.044 tors. eta vs tors. theta energy: -39.642 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: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -517.251659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.251659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.251659 (E_RNA) where: Base-Base interactions energy: -247.003 where: short stacking energy: -137.880 Base-Backbone interact. energy: 4.676 local terms energy: -274.924486 where: bonds (distance) C4'-P energy: -87.262 bonds (distance) P-C4' energy: -84.711 flat angles C4'-P-C4' energy: -72.800 flat angles P-C4'-P energy: -45.452 tors. eta vs tors. theta energy: 15.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -438.805944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.805944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.805944 (E_RNA) where: Base-Base interactions energy: -152.571 where: short stacking energy: -146.027 Base-Backbone interact. energy: -1.703 local terms energy: -284.531624 where: bonds (distance) C4'-P energy: -89.928 bonds (distance) P-C4' energy: -87.651 flat angles C4'-P-C4' energy: -74.046 flat angles P-C4'-P energy: -40.962 tors. eta vs tors. theta energy: 8.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1921.534444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.534444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.534444 (E_RNA) where: Base-Base interactions energy: -1334.631 where: short stacking energy: -557.487 Base-Backbone interact. energy: -3.206 local terms energy: -583.697739 where: bonds (distance) C4'-P energy: -93.111 bonds (distance) P-C4' energy: -97.296 flat angles C4'-P-C4' energy: -128.480 flat angles P-C4'-P energy: -96.609 tors. eta vs tors. theta energy: -168.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1776.426464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.426464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.426464 (E_RNA) where: Base-Base interactions energy: -1218.564 where: short stacking energy: -479.083 Base-Backbone interact. energy: -2.496 local terms energy: -555.366512 where: bonds (distance) C4'-P energy: -104.793 bonds (distance) P-C4' energy: -118.490 flat angles C4'-P-C4' energy: -111.626 flat angles P-C4'-P energy: -70.738 tors. eta vs tors. theta energy: -149.720 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: 1 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1736.639574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.639574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.639574 (E_RNA) where: Base-Base interactions energy: -1199.676 where: short stacking energy: -477.346 Base-Backbone interact. energy: -2.398 local terms energy: -534.565392 where: bonds (distance) C4'-P energy: -102.237 bonds (distance) P-C4' energy: -108.643 flat angles C4'-P-C4' energy: -127.367 flat angles P-C4'-P energy: -67.611 tors. eta vs tors. theta energy: -128.708 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: 6 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1618.968886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.968886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.968886 (E_RNA) where: Base-Base interactions energy: -1080.663 where: short stacking energy: -453.170 Base-Backbone interact. energy: -0.376 local terms energy: -537.929372 where: bonds (distance) C4'-P energy: -97.037 bonds (distance) P-C4' energy: -111.291 flat angles C4'-P-C4' energy: -116.593 flat angles P-C4'-P energy: -80.239 tors. eta vs tors. theta energy: -132.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1403.477951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.477951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.477951 (E_RNA) where: Base-Base interactions energy: -897.097 where: short stacking energy: -389.986 Base-Backbone interact. energy: -1.331 local terms energy: -505.049448 where: bonds (distance) C4'-P energy: -106.856 bonds (distance) P-C4' energy: -104.386 flat angles C4'-P-C4' energy: -111.984 flat angles P-C4'-P energy: -70.300 tors. eta vs tors. theta energy: -111.524 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: 6, replica: 2 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1222.936298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.936298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.936298 (E_RNA) where: Base-Base interactions energy: -786.299 where: short stacking energy: -366.827 Base-Backbone interact. energy: -1.487 local terms energy: -435.150203 where: bonds (distance) C4'-P energy: -78.849 bonds (distance) P-C4' energy: -102.220 flat angles C4'-P-C4' energy: -96.939 flat angles P-C4'-P energy: -61.823 tors. eta vs tors. theta energy: -95.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -918.499169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.499169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.499169 (E_RNA) where: Base-Base interactions energy: -526.957 where: short stacking energy: -251.703 Base-Backbone interact. energy: 2.774 local terms energy: -394.316967 where: bonds (distance) C4'-P energy: -103.585 bonds (distance) P-C4' energy: -75.160 flat angles C4'-P-C4' energy: -95.455 flat angles P-C4'-P energy: -68.211 tors. eta vs tors. theta energy: -51.906 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: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -763.218044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.218044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.218044 (E_RNA) where: Base-Base interactions energy: -391.557 where: short stacking energy: -193.403 Base-Backbone interact. energy: -2.480 local terms energy: -369.181641 where: bonds (distance) C4'-P energy: -94.693 bonds (distance) P-C4' energy: -99.943 flat angles C4'-P-C4' energy: -100.323 flat angles P-C4'-P energy: -58.473 tors. eta vs tors. theta energy: -15.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -561.023695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.023695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.023695 (E_RNA) where: Base-Base interactions energy: -241.357 where: short stacking energy: -142.465 Base-Backbone interact. energy: -0.051 local terms energy: -319.615256 where: bonds (distance) C4'-P energy: -91.043 bonds (distance) P-C4' energy: -91.282 flat angles C4'-P-C4' energy: -93.756 flat angles P-C4'-P energy: -50.500 tors. eta vs tors. theta energy: 6.965 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: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -405.503421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.503421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.503421 (E_RNA) where: Base-Base interactions energy: -143.165 where: short stacking energy: -97.957 Base-Backbone interact. energy: 2.282 local terms energy: -264.620829 where: bonds (distance) C4'-P energy: -79.569 bonds (distance) P-C4' energy: -83.897 flat angles C4'-P-C4' energy: -87.378 flat angles P-C4'-P energy: -35.136 tors. eta vs tors. theta energy: 21.359 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: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1933.941113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.941113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.941113 (E_RNA) where: Base-Base interactions energy: -1309.605 where: short stacking energy: -572.435 Base-Backbone interact. energy: -2.081 local terms energy: -622.255157 where: bonds (distance) C4'-P energy: -104.521 bonds (distance) P-C4' energy: -118.966 flat angles C4'-P-C4' energy: -127.647 flat angles P-C4'-P energy: -90.976 tors. eta vs tors. theta energy: -180.145 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: 3 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1783.506511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.506511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.506511 (E_RNA) where: Base-Base interactions energy: -1201.646 where: short stacking energy: -504.580 Base-Backbone interact. energy: -3.182 local terms energy: -578.678833 where: bonds (distance) C4'-P energy: -122.133 bonds (distance) P-C4' energy: -116.770 flat angles C4'-P-C4' energy: -122.205 flat angles P-C4'-P energy: -75.422 tors. eta vs tors. theta energy: -142.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1722.835058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.835058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.835058 (E_RNA) where: Base-Base interactions energy: -1164.419 where: short stacking energy: -466.521 Base-Backbone interact. energy: -4.074 local terms energy: -554.341479 where: bonds (distance) C4'-P energy: -108.470 bonds (distance) P-C4' energy: -116.193 flat angles C4'-P-C4' energy: -121.854 flat angles P-C4'-P energy: -69.534 tors. eta vs tors. theta energy: -138.291 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: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1628.417231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.417231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.417231 (E_RNA) where: Base-Base interactions energy: -1106.761 where: short stacking energy: -463.773 Base-Backbone interact. energy: 0.286 local terms energy: -521.942850 where: bonds (distance) C4'-P energy: -101.523 bonds (distance) P-C4' energy: -105.315 flat angles C4'-P-C4' energy: -106.120 flat angles P-C4'-P energy: -79.485 tors. eta vs tors. theta energy: -129.500 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: 8 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1370.584201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.584201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.584201 (E_RNA) where: Base-Base interactions energy: -878.008 where: short stacking energy: -385.081 Base-Backbone interact. energy: -1.332 local terms energy: -491.243933 where: bonds (distance) C4'-P energy: -103.485 bonds (distance) P-C4' energy: -117.595 flat angles C4'-P-C4' energy: -105.094 flat angles P-C4'-P energy: -65.594 tors. eta vs tors. theta energy: -99.476 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: 2 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1206.460346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.460346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.460346 (E_RNA) where: Base-Base interactions energy: -772.765 where: short stacking energy: -333.078 Base-Backbone interact. energy: -1.034 local terms energy: -432.660832 where: bonds (distance) C4'-P energy: -80.842 bonds (distance) P-C4' energy: -102.296 flat angles C4'-P-C4' energy: -101.836 flat angles P-C4'-P energy: -60.333 tors. eta vs tors. theta energy: -87.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -903.986787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.986787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.986787 (E_RNA) where: Base-Base interactions energy: -481.096 where: short stacking energy: -251.841 Base-Backbone interact. energy: 2.547 local terms energy: -425.438143 where: bonds (distance) C4'-P energy: -97.581 bonds (distance) P-C4' energy: -114.800 flat angles C4'-P-C4' energy: -100.969 flat angles P-C4'-P energy: -66.551 tors. eta vs tors. theta energy: -45.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -718.730184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.730184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.730184 (E_RNA) where: Base-Base interactions energy: -367.842 where: short stacking energy: -194.982 Base-Backbone interact. energy: -1.828 local terms energy: -349.060277 where: bonds (distance) C4'-P energy: -102.552 bonds (distance) P-C4' energy: -80.983 flat angles C4'-P-C4' energy: -80.779 flat angles P-C4'-P energy: -66.453 tors. eta vs tors. theta energy: -18.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -613.117875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.117875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.117875 (E_RNA) where: Base-Base interactions energy: -288.312 where: short stacking energy: -159.357 Base-Backbone interact. energy: 3.197 local terms energy: -328.003512 where: bonds (distance) C4'-P energy: -93.190 bonds (distance) P-C4' energy: -96.602 flat angles C4'-P-C4' energy: -76.563 flat angles P-C4'-P energy: -53.516 tors. eta vs tors. theta energy: -8.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -408.584054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.584054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.584054 (E_RNA) where: Base-Base interactions energy: -153.588 where: short stacking energy: -110.527 Base-Backbone interact. energy: 6.116 local terms energy: -261.112507 where: bonds (distance) C4'-P energy: -91.759 bonds (distance) P-C4' energy: -82.640 flat angles C4'-P-C4' energy: -58.775 flat angles P-C4'-P energy: -45.452 tors. eta vs tors. theta energy: 17.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1963.291992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.291992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.291992 (E_RNA) where: Base-Base interactions energy: -1341.333 where: short stacking energy: -608.237 Base-Backbone interact. energy: -1.125 local terms energy: -620.833145 where: bonds (distance) C4'-P energy: -119.093 bonds (distance) P-C4' energy: -108.207 flat angles C4'-P-C4' energy: -134.268 flat angles P-C4'-P energy: -82.075 tors. eta vs tors. theta energy: -177.191 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: 3 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1786.800730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.800730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.800730 (E_RNA) where: Base-Base interactions energy: -1240.035 where: short stacking energy: -493.675 Base-Backbone interact. energy: -3.620 local terms energy: -543.145377 where: bonds (distance) C4'-P energy: -106.725 bonds (distance) P-C4' energy: -107.561 flat angles C4'-P-C4' energy: -124.978 flat angles P-C4'-P energy: -72.500 tors. eta vs tors. theta energy: -131.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1758.281474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.281474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.281474 (E_RNA) where: Base-Base interactions energy: -1219.270 where: short stacking energy: -490.080 Base-Backbone interact. energy: -4.408 local terms energy: -534.604009 where: bonds (distance) C4'-P energy: -101.956 bonds (distance) P-C4' energy: -109.015 flat angles C4'-P-C4' energy: -101.086 flat angles P-C4'-P energy: -78.048 tors. eta vs tors. theta energy: -144.499 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: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1620.595501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.595501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.595501 (E_RNA) where: Base-Base interactions energy: -1103.121 where: short stacking energy: -438.924 Base-Backbone interact. energy: -0.056 local terms energy: -517.418454 where: bonds (distance) C4'-P energy: -94.511 bonds (distance) P-C4' energy: -106.885 flat angles C4'-P-C4' energy: -115.748 flat angles P-C4'-P energy: -80.694 tors. eta vs tors. theta energy: -119.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1376.740146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.740146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.740146 (E_RNA) where: Base-Base interactions energy: -902.975 where: short stacking energy: -378.617 Base-Backbone interact. energy: 0.037 local terms energy: -473.802253 where: bonds (distance) C4'-P energy: -90.050 bonds (distance) P-C4' energy: -107.431 flat angles C4'-P-C4' energy: -103.755 flat angles P-C4'-P energy: -67.305 tors. eta vs tors. theta energy: -105.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1188.916617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.916617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.916617 (E_RNA) where: Base-Base interactions energy: -748.574 where: short stacking energy: -327.867 Base-Backbone interact. energy: -3.440 local terms energy: -436.902428 where: bonds (distance) C4'-P energy: -100.037 bonds (distance) P-C4' energy: -105.217 flat angles C4'-P-C4' energy: -101.474 flat angles P-C4'-P energy: -54.668 tors. eta vs tors. theta energy: -75.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -942.487858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.487858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.487858 (E_RNA) where: Base-Base interactions energy: -532.114 where: short stacking energy: -272.615 Base-Backbone interact. energy: -5.192 local terms energy: -405.181534 where: bonds (distance) C4'-P energy: -86.108 bonds (distance) P-C4' energy: -123.977 flat angles C4'-P-C4' energy: -88.742 flat angles P-C4'-P energy: -52.025 tors. eta vs tors. theta energy: -54.328 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: 440 Temperature: 1.250000 Total energy: -697.169336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.169336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.169336 (E_RNA) where: Base-Base interactions energy: -375.013 where: short stacking energy: -212.890 Base-Backbone interact. energy: -0.551 local terms energy: -321.605794 where: bonds (distance) C4'-P energy: -92.199 bonds (distance) P-C4' energy: -95.733 flat angles C4'-P-C4' energy: -75.699 flat angles P-C4'-P energy: -44.759 tors. eta vs tors. theta energy: -13.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -543.376767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.376767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.376767 (E_RNA) where: Base-Base interactions energy: -223.376 where: short stacking energy: -158.899 Base-Backbone interact. energy: -0.569 local terms energy: -319.431831 where: bonds (distance) C4'-P energy: -89.094 bonds (distance) P-C4' energy: -105.371 flat angles C4'-P-C4' energy: -79.213 flat angles P-C4'-P energy: -47.192 tors. eta vs tors. theta energy: 1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -464.434635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.434635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.434635 (E_RNA) where: Base-Base interactions energy: -162.007 where: short stacking energy: -120.931 Base-Backbone interact. energy: -0.013 local terms energy: -302.414373 where: bonds (distance) C4'-P energy: -77.452 bonds (distance) P-C4' energy: -96.453 flat angles C4'-P-C4' energy: -82.629 flat angles P-C4'-P energy: -47.860 tors. eta vs tors. theta energy: 1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1921.144181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.144181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.144181 (E_RNA) where: Base-Base interactions energy: -1324.899 where: short stacking energy: -563.876 Base-Backbone interact. energy: 2.384 local terms energy: -598.628854 where: bonds (distance) C4'-P energy: -110.680 bonds (distance) P-C4' energy: -107.282 flat angles C4'-P-C4' energy: -125.879 flat angles P-C4'-P energy: -88.638 tors. eta vs tors. theta energy: -166.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1806.595942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.595942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.595942 (E_RNA) where: Base-Base interactions energy: -1253.451 where: short stacking energy: -496.208 Base-Backbone interact. energy: -3.029 local terms energy: -550.115048 where: bonds (distance) C4'-P energy: -106.108 bonds (distance) P-C4' energy: -116.012 flat angles C4'-P-C4' energy: -110.911 flat angles P-C4'-P energy: -71.931 tors. eta vs tors. theta energy: -145.153 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: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1717.382696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.382696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.382696 (E_RNA) where: Base-Base interactions energy: -1153.991 where: short stacking energy: -496.518 Base-Backbone interact. energy: -4.853 local terms energy: -558.539229 where: bonds (distance) C4'-P energy: -83.769 bonds (distance) P-C4' energy: -112.003 flat angles C4'-P-C4' energy: -116.265 flat angles P-C4'-P energy: -89.822 tors. eta vs tors. theta energy: -156.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1609.295595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.295595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.295595 (E_RNA) where: Base-Base interactions energy: -1070.694 where: short stacking energy: -428.155 Base-Backbone interact. energy: -1.196 local terms energy: -537.405923 where: bonds (distance) C4'-P energy: -110.133 bonds (distance) P-C4' energy: -102.830 flat angles C4'-P-C4' energy: -113.478 flat angles P-C4'-P energy: -85.071 tors. eta vs tors. theta energy: -125.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1432.701509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.701509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.701509 (E_RNA) where: Base-Base interactions energy: -934.291 where: short stacking energy: -405.973 Base-Backbone interact. energy: -1.725 local terms energy: -496.685771 where: bonds (distance) C4'-P energy: -90.063 bonds (distance) P-C4' energy: -110.806 flat angles C4'-P-C4' energy: -108.465 flat angles P-C4'-P energy: -75.138 tors. eta vs tors. theta energy: -112.214 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: 2 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1237.572294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.572294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.572294 (E_RNA) where: Base-Base interactions energy: -812.838 where: short stacking energy: -358.688 Base-Backbone interact. energy: 1.742 local terms energy: -426.476180 where: bonds (distance) C4'-P energy: -85.373 bonds (distance) P-C4' energy: -96.617 flat angles C4'-P-C4' energy: -96.308 flat angles P-C4'-P energy: -65.476 tors. eta vs tors. theta energy: -82.702 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: 7, replica: 10 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -947.308288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.308288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.308288 (E_RNA) where: Base-Base interactions energy: -538.992 where: short stacking energy: -274.888 Base-Backbone interact. energy: -1.112 local terms energy: -407.203882 where: bonds (distance) C4'-P energy: -109.701 bonds (distance) P-C4' energy: -91.732 flat angles C4'-P-C4' energy: -95.437 flat angles P-C4'-P energy: -56.671 tors. eta vs tors. theta energy: -53.662 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: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -717.590077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.590077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.590077 (E_RNA) where: Base-Base interactions energy: -374.048 where: short stacking energy: -207.370 Base-Backbone interact. energy: -1.795 local terms energy: -341.746597 where: bonds (distance) C4'-P energy: -84.984 bonds (distance) P-C4' energy: -104.794 flat angles C4'-P-C4' energy: -89.587 flat angles P-C4'-P energy: -49.885 tors. eta vs tors. theta energy: -12.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -528.934564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.934564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.934564 (E_RNA) where: Base-Base interactions energy: -236.181 where: short stacking energy: -142.289 Base-Backbone interact. energy: 1.289 local terms energy: -294.042210 where: bonds (distance) C4'-P energy: -83.224 bonds (distance) P-C4' energy: -106.760 flat angles C4'-P-C4' energy: -74.066 flat angles P-C4'-P energy: -54.545 tors. eta vs tors. theta energy: 24.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -418.784455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.784455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.784455 (E_RNA) where: Base-Base interactions energy: -138.650 where: short stacking energy: -108.605 Base-Backbone interact. energy: -1.455 local terms energy: -278.679177 where: bonds (distance) C4'-P energy: -88.860 bonds (distance) P-C4' energy: -90.834 flat angles C4'-P-C4' energy: -75.238 flat angles P-C4'-P energy: -47.170 tors. eta vs tors. theta energy: 23.423 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: 1, replica: 7 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1929.487274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.487274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.487274 (E_RNA) where: Base-Base interactions energy: -1319.731 where: short stacking energy: -562.593 Base-Backbone interact. energy: -1.524 local terms energy: -608.232273 where: bonds (distance) C4'-P energy: -119.143 bonds (distance) P-C4' energy: -106.031 flat angles C4'-P-C4' energy: -126.475 flat angles P-C4'-P energy: -81.964 tors. eta vs tors. theta energy: -174.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1804.870777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.870777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.870777 (E_RNA) where: Base-Base interactions energy: -1265.533 where: short stacking energy: -495.719 Base-Backbone interact. energy: -3.232 local terms energy: -536.104951 where: bonds (distance) C4'-P energy: -106.640 bonds (distance) P-C4' energy: -91.215 flat angles C4'-P-C4' energy: -117.564 flat angles P-C4'-P energy: -71.650 tors. eta vs tors. theta energy: -149.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1804.690523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.690523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.690523 (E_RNA) where: Base-Base interactions energy: -1232.560 where: short stacking energy: -512.627 Base-Backbone interact. energy: -2.727 local terms energy: -569.403672 where: bonds (distance) C4'-P energy: -106.471 bonds (distance) P-C4' energy: -109.178 flat angles C4'-P-C4' energy: -122.981 flat angles P-C4'-P energy: -79.578 tors. eta vs tors. theta energy: -151.196 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: 4, replica: 6 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1628.343337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.343337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.343337 (E_RNA) where: Base-Base interactions energy: -1108.087 where: short stacking energy: -453.796 Base-Backbone interact. energy: -2.375 local terms energy: -517.881781 where: bonds (distance) C4'-P energy: -107.036 bonds (distance) P-C4' energy: -103.032 flat angles C4'-P-C4' energy: -116.819 flat angles P-C4'-P energy: -68.835 tors. eta vs tors. theta energy: -122.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1427.306052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.306052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.306052 (E_RNA) where: Base-Base interactions energy: -940.395 where: short stacking energy: -414.726 Base-Backbone interact. energy: -0.785 local terms energy: -486.126117 where: bonds (distance) C4'-P energy: -91.361 bonds (distance) P-C4' energy: -95.504 flat angles C4'-P-C4' energy: -110.245 flat angles P-C4'-P energy: -61.804 tors. eta vs tors. theta energy: -127.213 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: 2 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1216.726874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.726874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.726874 (E_RNA) where: Base-Base interactions energy: -773.502 where: short stacking energy: -327.285 Base-Backbone interact. energy: -2.346 local terms energy: -440.878716 where: bonds (distance) C4'-P energy: -94.326 bonds (distance) P-C4' energy: -99.379 flat angles C4'-P-C4' energy: -88.269 flat angles P-C4'-P energy: -65.363 tors. eta vs tors. theta energy: -93.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -924.075729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.075729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.075729 (E_RNA) where: Base-Base interactions energy: -506.624 where: short stacking energy: -264.848 Base-Backbone interact. energy: -2.080 local terms energy: -415.371860 where: bonds (distance) C4'-P energy: -102.779 bonds (distance) P-C4' energy: -110.406 flat angles C4'-P-C4' energy: -76.835 flat angles P-C4'-P energy: -57.477 tors. eta vs tors. theta energy: -67.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -698.053431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.053431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.053431 (E_RNA) where: Base-Base interactions energy: -360.836 where: short stacking energy: -210.173 Base-Backbone interact. energy: -1.212 local terms energy: -336.005274 where: bonds (distance) C4'-P energy: -88.796 bonds (distance) P-C4' energy: -108.558 flat angles C4'-P-C4' energy: -81.652 flat angles P-C4'-P energy: -38.569 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: 9 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -548.165158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.165158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.165158 (E_RNA) where: Base-Base interactions energy: -244.024 where: short stacking energy: -158.422 Base-Backbone interact. energy: 2.849 local terms energy: -306.990666 where: bonds (distance) C4'-P energy: -91.567 bonds (distance) P-C4' energy: -89.519 flat angles C4'-P-C4' energy: -87.762 flat angles P-C4'-P energy: -48.519 tors. eta vs tors. theta energy: 10.376 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: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -437.970640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.970640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.970640 (E_RNA) where: Base-Base interactions energy: -170.971 where: short stacking energy: -140.710 Base-Backbone interact. energy: -2.906 local terms energy: -264.093808 where: bonds (distance) C4'-P energy: -86.905 bonds (distance) P-C4' energy: -85.448 flat angles C4'-P-C4' energy: -72.804 flat angles P-C4'-P energy: -43.212 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: 1, replica: 7 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1920.160108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.160108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.160108 (E_RNA) where: Base-Base interactions energy: -1302.948 where: short stacking energy: -553.748 Base-Backbone interact. energy: -0.768 local terms energy: -616.444396 where: bonds (distance) C4'-P energy: -121.725 bonds (distance) P-C4' energy: -120.221 flat angles C4'-P-C4' energy: -124.347 flat angles P-C4'-P energy: -82.391 tors. eta vs tors. theta energy: -167.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1820.605688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.605688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.605688 (E_RNA) where: Base-Base interactions energy: -1250.046 where: short stacking energy: -487.137 Base-Backbone interact. energy: 3.218 local terms energy: -573.777182 where: bonds (distance) C4'-P energy: -108.992 bonds (distance) P-C4' energy: -112.730 flat angles C4'-P-C4' energy: -128.735 flat angles P-C4'-P energy: -78.940 tors. eta vs tors. theta energy: -144.380 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: 1 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1758.647649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.647649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.647649 (E_RNA) where: Base-Base interactions energy: -1210.341 where: short stacking energy: -480.102 Base-Backbone interact. energy: -3.448 local terms energy: -544.859134 where: bonds (distance) C4'-P energy: -94.035 bonds (distance) P-C4' energy: -107.270 flat angles C4'-P-C4' energy: -124.051 flat angles P-C4'-P energy: -76.821 tors. eta vs tors. theta energy: -142.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1568.631029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.631029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.631029 (E_RNA) where: Base-Base interactions energy: -1089.382 where: short stacking energy: -449.956 Base-Backbone interact. energy: -3.074 local terms energy: -476.175726 where: bonds (distance) C4'-P energy: -92.263 bonds (distance) P-C4' energy: -95.189 flat angles C4'-P-C4' energy: -110.005 flat angles P-C4'-P energy: -63.016 tors. eta vs tors. theta energy: -115.703 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: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1419.570212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.570212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.570212 (E_RNA) where: Base-Base interactions energy: -934.577 where: short stacking energy: -399.016 Base-Backbone interact. energy: -0.206 local terms energy: -484.787224 where: bonds (distance) C4'-P energy: -91.520 bonds (distance) P-C4' energy: -99.928 flat angles C4'-P-C4' energy: -110.503 flat angles P-C4'-P energy: -64.826 tors. eta vs tors. theta energy: -118.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1174.969856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.969856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.969856 (E_RNA) where: Base-Base interactions energy: -746.891 where: short stacking energy: -349.095 Base-Backbone interact. energy: -0.823 local terms energy: -427.256472 where: bonds (distance) C4'-P energy: -88.934 bonds (distance) P-C4' energy: -86.067 flat angles C4'-P-C4' energy: -113.388 flat angles P-C4'-P energy: -62.992 tors. eta vs tors. theta energy: -75.876 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: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -972.933667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.933667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.933667 (E_RNA) where: Base-Base interactions energy: -568.360 where: short stacking energy: -254.838 Base-Backbone interact. energy: 2.055 local terms energy: -406.628637 where: bonds (distance) C4'-P energy: -109.507 bonds (distance) P-C4' energy: -108.549 flat angles C4'-P-C4' energy: -75.175 flat angles P-C4'-P energy: -57.680 tors. eta vs tors. theta energy: -55.718 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: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -624.956995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.956995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.956995 (E_RNA) where: Base-Base interactions energy: -306.125 where: short stacking energy: -185.769 Base-Backbone interact. energy: 4.633 local terms energy: -323.464827 where: bonds (distance) C4'-P energy: -85.924 bonds (distance) P-C4' energy: -97.700 flat angles C4'-P-C4' energy: -85.766 flat angles P-C4'-P energy: -52.752 tors. eta vs tors. theta energy: -1.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -546.245837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.245837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.245837 (E_RNA) where: Base-Base interactions energy: -230.582 where: short stacking energy: -140.969 Base-Backbone interact. energy: 0.132 local terms energy: -315.796707 where: bonds (distance) C4'-P energy: -76.935 bonds (distance) P-C4' energy: -96.418 flat angles C4'-P-C4' energy: -99.200 flat angles P-C4'-P energy: -41.403 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -487.279005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.279005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.279005 (E_RNA) where: Base-Base interactions energy: -193.112 where: short stacking energy: -141.067 Base-Backbone interact. energy: 1.826 local terms energy: -295.993650 where: bonds (distance) C4'-P energy: -72.171 bonds (distance) P-C4' energy: -102.818 flat angles C4'-P-C4' energy: -81.269 flat angles P-C4'-P energy: -43.934 tors. eta vs tors. theta energy: 4.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1905.779491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.779491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.779491 (E_RNA) where: Base-Base interactions energy: -1295.325 where: short stacking energy: -552.271 Base-Backbone interact. energy: -1.537 local terms energy: -608.916638 where: bonds (distance) C4'-P energy: -106.003 bonds (distance) P-C4' energy: -111.868 flat angles C4'-P-C4' energy: -134.400 flat angles P-C4'-P energy: -84.818 tors. eta vs tors. theta energy: -171.827 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: 444 Temperature: 0.950000 Total energy: -1795.978972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.978972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.978972 (E_RNA) where: Base-Base interactions energy: -1254.818 where: short stacking energy: -483.571 Base-Backbone interact. energy: -3.041 local terms energy: -538.120134 where: bonds (distance) C4'-P energy: -101.473 bonds (distance) P-C4' energy: -121.018 flat angles C4'-P-C4' energy: -111.485 flat angles P-C4'-P energy: -59.396 tors. eta vs tors. theta energy: -144.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1779.945534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.945534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.945534 (E_RNA) where: Base-Base interactions energy: -1230.696 where: short stacking energy: -511.558 Base-Backbone interact. energy: 0.136 local terms energy: -549.385847 where: bonds (distance) C4'-P energy: -105.219 bonds (distance) P-C4' energy: -94.490 flat angles C4'-P-C4' energy: -111.729 flat angles P-C4'-P energy: -84.503 tors. eta vs tors. theta energy: -153.444 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: 6 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1585.085806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.085806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.085806 (E_RNA) where: Base-Base interactions energy: -1070.403 where: short stacking energy: -457.199 Base-Backbone interact. energy: -0.100 local terms energy: -514.582986 where: bonds (distance) C4'-P energy: -97.627 bonds (distance) P-C4' energy: -88.846 flat angles C4'-P-C4' energy: -113.168 flat angles P-C4'-P energy: -79.188 tors. eta vs tors. theta energy: -135.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1426.943979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.943979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.943979 (E_RNA) where: Base-Base interactions energy: -950.046 where: short stacking energy: -400.468 Base-Backbone interact. energy: -1.377 local terms energy: -475.521186 where: bonds (distance) C4'-P energy: -85.555 bonds (distance) P-C4' energy: -100.937 flat angles C4'-P-C4' energy: -117.420 flat angles P-C4'-P energy: -70.692 tors. eta vs tors. theta energy: -100.917 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: 2 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1225.394479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.394479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.394479 (E_RNA) where: Base-Base interactions energy: -781.809 where: short stacking energy: -351.074 Base-Backbone interact. energy: -1.519 local terms energy: -442.065855 where: bonds (distance) C4'-P energy: -94.867 bonds (distance) P-C4' energy: -96.893 flat angles C4'-P-C4' energy: -94.267 flat angles P-C4'-P energy: -55.231 tors. eta vs tors. theta energy: -100.807 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: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -951.376024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.376024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.376024 (E_RNA) where: Base-Base interactions energy: -538.737 where: short stacking energy: -284.622 Base-Backbone interact. energy: 1.680 local terms energy: -414.319076 where: bonds (distance) C4'-P energy: -98.674 bonds (distance) P-C4' energy: -111.223 flat angles C4'-P-C4' energy: -89.706 flat angles P-C4'-P energy: -53.592 tors. eta vs tors. theta energy: -61.124 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: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -606.064703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.064703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.064703 (E_RNA) where: Base-Base interactions energy: -256.895 where: short stacking energy: -167.539 Base-Backbone interact. energy: 5.567 local terms energy: -354.736656 where: bonds (distance) C4'-P energy: -104.216 bonds (distance) P-C4' energy: -112.787 flat angles C4'-P-C4' energy: -74.189 flat angles P-C4'-P energy: -43.734 tors. eta vs tors. theta energy: -19.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -461.920375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.920375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.920375 (E_RNA) where: Base-Base interactions energy: -156.402 where: short stacking energy: -117.949 Base-Backbone interact. energy: 1.413 local terms energy: -306.931775 where: bonds (distance) C4'-P energy: -97.857 bonds (distance) P-C4' energy: -102.732 flat angles C4'-P-C4' energy: -74.921 flat angles P-C4'-P energy: -50.736 tors. eta vs tors. theta energy: 19.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -508.955407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.955407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.955407 (E_RNA) where: Base-Base interactions energy: -212.708 where: short stacking energy: -150.490 Base-Backbone interact. energy: -1.271 local terms energy: -294.976461 where: bonds (distance) C4'-P energy: -89.384 bonds (distance) P-C4' energy: -87.412 flat angles C4'-P-C4' energy: -85.733 flat angles P-C4'-P energy: -39.460 tors. eta vs tors. theta energy: 7.013 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: 7 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1911.402159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.402159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.402159 (E_RNA) where: Base-Base interactions energy: -1320.414 where: short stacking energy: -560.875 Base-Backbone interact. energy: 2.656 local terms energy: -593.644089 where: bonds (distance) C4'-P energy: -98.111 bonds (distance) P-C4' energy: -113.697 flat angles C4'-P-C4' energy: -129.135 flat angles P-C4'-P energy: -88.168 tors. eta vs tors. theta energy: -164.532 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: 1 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1782.327643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.327643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.327643 (E_RNA) where: Base-Base interactions energy: -1215.622 where: short stacking energy: -528.633 Base-Backbone interact. energy: -4.436 local terms energy: -562.270308 where: bonds (distance) C4'-P energy: -103.846 bonds (distance) P-C4' energy: -106.362 flat angles C4'-P-C4' energy: -119.234 flat angles P-C4'-P energy: -76.361 tors. eta vs tors. theta energy: -156.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1754.281816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.281816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.281816 (E_RNA) where: Base-Base interactions energy: -1219.710 where: short stacking energy: -498.798 Base-Backbone interact. energy: -0.195 local terms energy: -534.376749 where: bonds (distance) C4'-P energy: -96.497 bonds (distance) P-C4' energy: -103.203 flat angles C4'-P-C4' energy: -119.872 flat angles P-C4'-P energy: -71.615 tors. eta vs tors. theta energy: -143.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1627.888492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.888492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.888492 (E_RNA) where: Base-Base interactions energy: -1098.617 where: short stacking energy: -476.019 Base-Backbone interact. energy: -2.477 local terms energy: -526.794397 where: bonds (distance) C4'-P energy: -107.489 bonds (distance) P-C4' energy: -107.822 flat angles C4'-P-C4' energy: -114.682 flat angles P-C4'-P energy: -66.635 tors. eta vs tors. theta energy: -130.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1442.237146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.237146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.237146 (E_RNA) where: Base-Base interactions energy: -947.417 where: short stacking energy: -428.961 Base-Backbone interact. energy: 0.087 local terms energy: -494.906694 where: bonds (distance) C4'-P energy: -106.493 bonds (distance) P-C4' energy: -101.110 flat angles C4'-P-C4' energy: -113.895 flat angles P-C4'-P energy: -64.918 tors. eta vs tors. theta energy: -108.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1210.999153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.999153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.999153 (E_RNA) where: Base-Base interactions energy: -759.951 where: short stacking energy: -333.004 Base-Backbone interact. energy: -1.385 local terms energy: -449.663611 where: bonds (distance) C4'-P energy: -86.692 bonds (distance) P-C4' energy: -99.703 flat angles C4'-P-C4' energy: -97.793 flat angles P-C4'-P energy: -68.386 tors. eta vs tors. theta energy: -97.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -961.427868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.427868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.427868 (E_RNA) where: Base-Base interactions energy: -587.331 where: short stacking energy: -295.479 Base-Backbone interact. energy: -3.972 local terms energy: -370.124775 where: bonds (distance) C4'-P energy: -86.361 bonds (distance) P-C4' energy: -92.501 flat angles C4'-P-C4' energy: -88.645 flat angles P-C4'-P energy: -51.111 tors. eta vs tors. theta energy: -51.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -675.614807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.614807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.614807 (E_RNA) where: Base-Base interactions energy: -338.440 where: short stacking energy: -205.344 Base-Backbone interact. energy: 5.586 local terms energy: -342.761315 where: bonds (distance) C4'-P energy: -87.274 bonds (distance) P-C4' energy: -103.140 flat angles C4'-P-C4' energy: -63.042 flat angles P-C4'-P energy: -63.500 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: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -463.275026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.275026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.275026 (E_RNA) where: Base-Base interactions energy: -144.202 where: short stacking energy: -121.320 Base-Backbone interact. energy: 0.977 local terms energy: -320.050288 where: bonds (distance) C4'-P energy: -99.889 bonds (distance) P-C4' energy: -85.188 flat angles C4'-P-C4' energy: -92.583 flat angles P-C4'-P energy: -56.290 tors. eta vs tors. theta energy: 13.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -491.410579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.410579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.410579 (E_RNA) where: Base-Base interactions energy: -216.537 where: short stacking energy: -139.635 Base-Backbone interact. energy: -0.490 local terms energy: -274.383073 where: bonds (distance) C4'-P energy: -98.741 bonds (distance) P-C4' energy: -91.273 flat angles C4'-P-C4' energy: -58.969 flat angles P-C4'-P energy: -50.154 tors. eta vs tors. theta energy: 24.753 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: 1, replica: 7 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1895.830771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.830771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.830771 (E_RNA) where: Base-Base interactions energy: -1301.872 where: short stacking energy: -537.052 Base-Backbone interact. energy: -0.905 local terms energy: -593.053198 where: bonds (distance) C4'-P energy: -108.668 bonds (distance) P-C4' energy: -111.426 flat angles C4'-P-C4' energy: -120.427 flat angles P-C4'-P energy: -89.660 tors. eta vs tors. theta energy: -162.873 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: 446 Temperature: 0.950000 Total energy: -1764.836121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.836121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.836121 (E_RNA) where: Base-Base interactions energy: -1215.580 where: short stacking energy: -501.196 Base-Backbone interact. energy: -4.622 local terms energy: -544.634866 where: bonds (distance) C4'-P energy: -97.441 bonds (distance) P-C4' energy: -107.754 flat angles C4'-P-C4' energy: -114.139 flat angles P-C4'-P energy: -82.818 tors. eta vs tors. theta energy: -142.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1733.846579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.846579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.846579 (E_RNA) where: Base-Base interactions energy: -1215.226 where: short stacking energy: -480.454 Base-Backbone interact. energy: -0.002 local terms energy: -518.618244 where: bonds (distance) C4'-P energy: -92.368 bonds (distance) P-C4' energy: -109.088 flat angles C4'-P-C4' energy: -119.240 flat angles P-C4'-P energy: -64.193 tors. eta vs tors. theta energy: -133.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1577.820804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.820804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.820804 (E_RNA) where: Base-Base interactions energy: -1056.645 where: short stacking energy: -430.726 Base-Backbone interact. energy: -3.238 local terms energy: -517.938321 where: bonds (distance) C4'-P energy: -105.725 bonds (distance) P-C4' energy: -106.734 flat angles C4'-P-C4' energy: -116.009 flat angles P-C4'-P energy: -70.303 tors. eta vs tors. theta energy: -119.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1428.849949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.849949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.849949 (E_RNA) where: Base-Base interactions energy: -933.801 where: short stacking energy: -423.261 Base-Backbone interact. energy: -0.599 local terms energy: -494.450341 where: bonds (distance) C4'-P energy: -97.971 bonds (distance) P-C4' energy: -112.760 flat angles C4'-P-C4' energy: -103.119 flat angles P-C4'-P energy: -71.287 tors. eta vs tors. theta energy: -109.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1230.559310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.559310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.559310 (E_RNA) where: Base-Base interactions energy: -793.066 where: short stacking energy: -356.719 Base-Backbone interact. energy: -1.081 local terms energy: -436.412334 where: bonds (distance) C4'-P energy: -99.364 bonds (distance) P-C4' energy: -78.965 flat angles C4'-P-C4' energy: -105.220 flat angles P-C4'-P energy: -71.246 tors. eta vs tors. theta energy: -81.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -896.493413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.493413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.493413 (E_RNA) where: Base-Base interactions energy: -538.946 where: short stacking energy: -277.617 Base-Backbone interact. energy: 0.592 local terms energy: -358.139174 where: bonds (distance) C4'-P energy: -79.214 bonds (distance) P-C4' energy: -80.946 flat angles C4'-P-C4' energy: -87.753 flat angles P-C4'-P energy: -68.223 tors. eta vs tors. theta energy: -42.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -694.188183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.188183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.188183 (E_RNA) where: Base-Base interactions energy: -363.600 where: short stacking energy: -182.758 Base-Backbone interact. energy: 0.178 local terms energy: -330.765859 where: bonds (distance) C4'-P energy: -111.182 bonds (distance) P-C4' energy: -97.066 flat angles C4'-P-C4' energy: -87.211 flat angles P-C4'-P energy: -40.218 tors. eta vs tors. theta energy: 4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -444.313777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.313777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.313777 (E_RNA) where: Base-Base interactions energy: -145.307 where: short stacking energy: -127.408 Base-Backbone interact. energy: 2.409 local terms energy: -301.415654 where: bonds (distance) C4'-P energy: -95.101 bonds (distance) P-C4' energy: -100.461 flat angles C4'-P-C4' energy: -77.668 flat angles P-C4'-P energy: -42.820 tors. eta vs tors. theta energy: 14.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -492.641962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.641962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.641962 (E_RNA) where: Base-Base interactions energy: -216.883 where: short stacking energy: -134.332 Base-Backbone interact. energy: 0.380 local terms energy: -276.138980 where: bonds (distance) C4'-P energy: -86.778 bonds (distance) P-C4' energy: -99.019 flat angles C4'-P-C4' energy: -76.338 flat angles P-C4'-P energy: -42.039 tors. eta vs tors. theta energy: 28.035 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: 1, replica: 7 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1919.307936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.307936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.307936 (E_RNA) where: Base-Base interactions energy: -1309.759 where: short stacking energy: -561.273 Base-Backbone interact. energy: -0.171 local terms energy: -609.378454 where: bonds (distance) C4'-P energy: -105.759 bonds (distance) P-C4' energy: -116.757 flat angles C4'-P-C4' energy: -125.881 flat angles P-C4'-P energy: -91.473 tors. eta vs tors. theta energy: -169.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1777.226401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.226401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.226401 (E_RNA) where: Base-Base interactions energy: -1207.553 where: short stacking energy: -503.080 Base-Backbone interact. energy: -0.272 local terms energy: -569.401934 where: bonds (distance) C4'-P energy: -113.466 bonds (distance) P-C4' energy: -99.162 flat angles C4'-P-C4' energy: -128.385 flat angles P-C4'-P energy: -73.369 tors. eta vs tors. theta energy: -155.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1746.746817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.746817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.746817 (E_RNA) where: Base-Base interactions energy: -1206.890 where: short stacking energy: -489.079 Base-Backbone interact. energy: -3.834 local terms energy: -536.022065 where: bonds (distance) C4'-P energy: -109.501 bonds (distance) P-C4' energy: -104.223 flat angles C4'-P-C4' energy: -118.757 flat angles P-C4'-P energy: -63.855 tors. eta vs tors. theta energy: -139.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1581.723166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.723166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.723166 (E_RNA) where: Base-Base interactions energy: -1053.149 where: short stacking energy: -427.217 Base-Backbone interact. energy: -5.382 local terms energy: -523.192855 where: bonds (distance) C4'-P energy: -103.745 bonds (distance) P-C4' energy: -111.507 flat angles C4'-P-C4' energy: -101.463 flat angles P-C4'-P energy: -72.599 tors. eta vs tors. theta energy: -133.879 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: 8 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1428.985082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.985082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.985082 (E_RNA) where: Base-Base interactions energy: -960.700 where: short stacking energy: -411.031 Base-Backbone interact. energy: -2.063 local terms energy: -466.221432 where: bonds (distance) C4'-P energy: -103.604 bonds (distance) P-C4' energy: -86.073 flat angles C4'-P-C4' energy: -112.675 flat angles P-C4'-P energy: -56.478 tors. eta vs tors. theta energy: -107.392 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: 2 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1183.435220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.435220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.435220 (E_RNA) where: Base-Base interactions energy: -754.416 where: short stacking energy: -359.290 Base-Backbone interact. energy: -1.432 local terms energy: -427.587661 where: bonds (distance) C4'-P energy: -82.544 bonds (distance) P-C4' energy: -100.236 flat angles C4'-P-C4' energy: -102.746 flat angles P-C4'-P energy: -62.755 tors. eta vs tors. theta energy: -79.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -884.788018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.788018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.788018 (E_RNA) where: Base-Base interactions energy: -516.957 where: short stacking energy: -247.749 Base-Backbone interact. energy: 0.129 local terms energy: -367.960423 where: bonds (distance) C4'-P energy: -103.818 bonds (distance) P-C4' energy: -97.317 flat angles C4'-P-C4' energy: -84.531 flat angles P-C4'-P energy: -46.392 tors. eta vs tors. theta energy: -35.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -715.962560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.962560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.962560 (E_RNA) where: Base-Base interactions energy: -379.437 where: short stacking energy: -214.003 Base-Backbone interact. energy: 4.042 local terms energy: -340.568181 where: bonds (distance) C4'-P energy: -95.495 bonds (distance) P-C4' energy: -88.833 flat angles C4'-P-C4' energy: -86.174 flat angles P-C4'-P energy: -53.750 tors. eta vs tors. theta energy: -16.316 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: 9, replica: 4 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -476.185103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.185103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.185103 (E_RNA) where: Base-Base interactions energy: -168.866 where: short stacking energy: -120.372 Base-Backbone interact. energy: 2.716 local terms energy: -310.035284 where: bonds (distance) C4'-P energy: -91.969 bonds (distance) P-C4' energy: -94.359 flat angles C4'-P-C4' energy: -80.057 flat angles P-C4'-P energy: -55.093 tors. eta vs tors. theta energy: 11.442 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: 447 Temperature: 1.350000 Total energy: -521.721641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.721641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.721641 (E_RNA) where: Base-Base interactions energy: -226.037 where: short stacking energy: -142.865 Base-Backbone interact. energy: 0.594 local terms energy: -296.278683 where: bonds (distance) C4'-P energy: -84.902 bonds (distance) P-C4' energy: -102.955 flat angles C4'-P-C4' energy: -84.221 flat angles P-C4'-P energy: -36.690 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: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1929.783584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.783584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.783584 (E_RNA) where: Base-Base interactions energy: -1311.884 where: short stacking energy: -558.820 Base-Backbone interact. energy: 0.181 local terms energy: -618.079748 where: bonds (distance) C4'-P energy: -110.598 bonds (distance) P-C4' energy: -125.101 flat angles C4'-P-C4' energy: -135.714 flat angles P-C4'-P energy: -75.007 tors. eta vs tors. theta energy: -171.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1805.131185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.131185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.131185 (E_RNA) where: Base-Base interactions energy: -1222.361 where: short stacking energy: -520.207 Base-Backbone interact. energy: -2.686 local terms energy: -580.084470 where: bonds (distance) C4'-P energy: -99.376 bonds (distance) P-C4' energy: -106.510 flat angles C4'-P-C4' energy: -136.009 flat angles P-C4'-P energy: -83.244 tors. eta vs tors. theta energy: -154.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1729.598211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.598211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.598211 (E_RNA) where: Base-Base interactions energy: -1205.095 where: short stacking energy: -473.665 Base-Backbone interact. energy: -1.063 local terms energy: -523.439891 where: bonds (distance) C4'-P energy: -108.719 bonds (distance) P-C4' energy: -92.613 flat angles C4'-P-C4' energy: -112.264 flat angles P-C4'-P energy: -79.470 tors. eta vs tors. theta energy: -130.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1627.045242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.045242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.045242 (E_RNA) where: Base-Base interactions energy: -1105.700 where: short stacking energy: -463.612 Base-Backbone interact. energy: 0.299 local terms energy: -521.643821 where: bonds (distance) C4'-P energy: -98.013 bonds (distance) P-C4' energy: -107.922 flat angles C4'-P-C4' energy: -111.626 flat angles P-C4'-P energy: -63.801 tors. eta vs tors. theta energy: -140.282 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: 5, replica: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1431.746262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.746262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.746262 (E_RNA) where: Base-Base interactions energy: -950.962 where: short stacking energy: -421.150 Base-Backbone interact. energy: -0.135 local terms energy: -480.649543 where: bonds (distance) C4'-P energy: -94.749 bonds (distance) P-C4' energy: -102.284 flat angles C4'-P-C4' energy: -119.216 flat angles P-C4'-P energy: -47.675 tors. eta vs tors. theta energy: -116.726 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: 6, replica: 2 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1207.902096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.902096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.902096 (E_RNA) where: Base-Base interactions energy: -759.544 where: short stacking energy: -346.627 Base-Backbone interact. energy: 2.040 local terms energy: -450.397335 where: bonds (distance) C4'-P energy: -81.792 bonds (distance) P-C4' energy: -99.417 flat angles C4'-P-C4' energy: -109.202 flat angles P-C4'-P energy: -67.830 tors. eta vs tors. theta energy: -92.157 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: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -902.021543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.021543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.021543 (E_RNA) where: Base-Base interactions energy: -530.260 where: short stacking energy: -272.893 Base-Backbone interact. energy: -0.938 local terms energy: -370.824401 where: bonds (distance) C4'-P energy: -93.338 bonds (distance) P-C4' energy: -102.436 flat angles C4'-P-C4' energy: -91.388 flat angles P-C4'-P energy: -51.839 tors. eta vs tors. theta energy: -31.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -679.362283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.362283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.362283 (E_RNA) where: Base-Base interactions energy: -349.157 where: short stacking energy: -206.274 Base-Backbone interact. energy: 0.525 local terms energy: -330.730989 where: bonds (distance) C4'-P energy: -97.302 bonds (distance) P-C4' energy: -107.831 flat angles C4'-P-C4' energy: -89.939 flat angles P-C4'-P energy: -32.050 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -554.041441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.041441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.041441 (E_RNA) where: Base-Base interactions energy: -249.684 where: short stacking energy: -156.660 Base-Backbone interact. energy: -0.696 local terms energy: -303.661478 where: bonds (distance) C4'-P energy: -81.423 bonds (distance) P-C4' energy: -105.741 flat angles C4'-P-C4' energy: -91.162 flat angles P-C4'-P energy: -30.534 tors. eta vs tors. theta energy: 5.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -402.102538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.102538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.102538 (E_RNA) where: Base-Base interactions energy: -127.626 where: short stacking energy: -103.277 Base-Backbone interact. energy: 2.536 local terms energy: -277.013334 where: bonds (distance) C4'-P energy: -88.273 bonds (distance) P-C4' energy: -91.084 flat angles C4'-P-C4' energy: -77.577 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: 28.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1905.254419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.254419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.254419 (E_RNA) where: Base-Base interactions energy: -1295.423 where: short stacking energy: -551.757 Base-Backbone interact. energy: -0.865 local terms energy: -608.966566 where: bonds (distance) C4'-P energy: -107.354 bonds (distance) P-C4' energy: -109.835 flat angles C4'-P-C4' energy: -130.334 flat angles P-C4'-P energy: -88.454 tors. eta vs tors. theta energy: -172.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1801.284791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.284791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.284791 (E_RNA) where: Base-Base interactions energy: -1236.695 where: short stacking energy: -519.262 Base-Backbone interact. energy: -3.842 local terms energy: -560.748599 where: bonds (distance) C4'-P energy: -106.860 bonds (distance) P-C4' energy: -102.415 flat angles C4'-P-C4' energy: -120.696 flat angles P-C4'-P energy: -73.246 tors. eta vs tors. theta energy: -157.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1740.094076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.094076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.094076 (E_RNA) where: Base-Base interactions energy: -1207.114 where: short stacking energy: -508.722 Base-Backbone interact. energy: -5.404 local terms energy: -527.576162 where: bonds (distance) C4'-P energy: -99.390 bonds (distance) P-C4' energy: -105.757 flat angles C4'-P-C4' energy: -111.247 flat angles P-C4'-P energy: -65.559 tors. eta vs tors. theta energy: -145.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1625.164549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.164549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.164549 (E_RNA) where: Base-Base interactions energy: -1109.142 where: short stacking energy: -466.704 Base-Backbone interact. energy: -1.917 local terms energy: -514.105938 where: bonds (distance) C4'-P energy: -91.747 bonds (distance) P-C4' energy: -98.207 flat angles C4'-P-C4' energy: -115.565 flat angles P-C4'-P energy: -76.389 tors. eta vs tors. theta energy: -132.198 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: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1422.349712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.349712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.349712 (E_RNA) where: Base-Base interactions energy: -938.415 where: short stacking energy: -411.757 Base-Backbone interact. energy: 0.034 local terms energy: -483.969473 where: bonds (distance) C4'-P energy: -104.020 bonds (distance) P-C4' energy: -94.696 flat angles C4'-P-C4' energy: -106.190 flat angles P-C4'-P energy: -62.082 tors. eta vs tors. theta energy: -116.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1238.528764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.528764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.528764 (E_RNA) where: Base-Base interactions energy: -805.496 where: short stacking energy: -376.617 Base-Backbone interact. energy: -0.702 local terms energy: -432.330711 where: bonds (distance) C4'-P energy: -76.315 bonds (distance) P-C4' energy: -91.305 flat angles C4'-P-C4' energy: -105.709 flat angles P-C4'-P energy: -60.045 tors. eta vs tors. theta energy: -98.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -909.009743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.009743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.009743 (E_RNA) where: Base-Base interactions energy: -539.931 where: short stacking energy: -265.575 Base-Backbone interact. energy: -3.020 local terms energy: -366.058549 where: bonds (distance) C4'-P energy: -86.847 bonds (distance) P-C4' energy: -84.568 flat angles C4'-P-C4' energy: -93.478 flat angles P-C4'-P energy: -62.953 tors. eta vs tors. theta energy: -38.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -691.436384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.436384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.436384 (E_RNA) where: Base-Base interactions energy: -354.490 where: short stacking energy: -218.049 Base-Backbone interact. energy: 2.241 local terms energy: -339.187381 where: bonds (distance) C4'-P energy: -87.641 bonds (distance) P-C4' energy: -95.704 flat angles C4'-P-C4' energy: -88.159 flat angles P-C4'-P energy: -57.226 tors. eta vs tors. theta energy: -10.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -564.015502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.015502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.015502 (E_RNA) where: Base-Base interactions energy: -268.133 where: short stacking energy: -156.423 Base-Backbone interact. energy: 0.764 local terms energy: -296.646602 where: bonds (distance) C4'-P energy: -80.572 bonds (distance) P-C4' energy: -99.080 flat angles C4'-P-C4' energy: -80.916 flat angles P-C4'-P energy: -43.274 tors. eta vs tors. theta energy: 7.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -416.557257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.557257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.557257 (E_RNA) where: Base-Base interactions energy: -115.893 where: short stacking energy: -90.243 Base-Backbone interact. energy: -3.640 local terms energy: -297.024110 where: bonds (distance) C4'-P energy: -88.505 bonds (distance) P-C4' energy: -109.166 flat angles C4'-P-C4' energy: -80.899 flat angles P-C4'-P energy: -49.153 tors. eta vs tors. theta energy: 30.699 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: 7 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1944.160404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.160404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.160404 (E_RNA) where: Base-Base interactions energy: -1338.188 where: short stacking energy: -557.505 Base-Backbone interact. energy: -2.123 local terms energy: -603.849610 where: bonds (distance) C4'-P energy: -107.745 bonds (distance) P-C4' energy: -115.543 flat angles C4'-P-C4' energy: -125.119 flat angles P-C4'-P energy: -84.458 tors. eta vs tors. theta energy: -170.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1806.774287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.774287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.774287 (E_RNA) where: Base-Base interactions energy: -1260.062 where: short stacking energy: -522.596 Base-Backbone interact. energy: 2.395 local terms energy: -549.107786 where: bonds (distance) C4'-P energy: -92.706 bonds (distance) P-C4' energy: -110.023 flat angles C4'-P-C4' energy: -122.604 flat angles P-C4'-P energy: -70.668 tors. eta vs tors. theta energy: -153.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1742.914762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.914762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.914762 (E_RNA) where: Base-Base interactions energy: -1202.829 where: short stacking energy: -491.401 Base-Backbone interact. energy: -1.834 local terms energy: -538.252293 where: bonds (distance) C4'-P energy: -92.317 bonds (distance) P-C4' energy: -110.678 flat angles C4'-P-C4' energy: -111.574 flat angles P-C4'-P energy: -82.424 tors. eta vs tors. theta energy: -141.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1581.704590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.704590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.704590 (E_RNA) where: Base-Base interactions energy: -1025.056 where: short stacking energy: -439.025 Base-Backbone interact. energy: -5.873 local terms energy: -550.775511 where: bonds (distance) C4'-P energy: -100.413 bonds (distance) P-C4' energy: -115.530 flat angles C4'-P-C4' energy: -125.698 flat angles P-C4'-P energy: -80.914 tors. eta vs tors. theta energy: -128.221 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: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1421.766070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.766070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.766070 (E_RNA) where: Base-Base interactions energy: -933.918 where: short stacking energy: -406.361 Base-Backbone interact. energy: -2.682 local terms energy: -485.166293 where: bonds (distance) C4'-P energy: -100.374 bonds (distance) P-C4' energy: -80.853 flat angles C4'-P-C4' energy: -109.308 flat angles P-C4'-P energy: -74.366 tors. eta vs tors. theta energy: -120.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1217.131459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.131459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.131459 (E_RNA) where: Base-Base interactions energy: -774.756 where: short stacking energy: -357.996 Base-Backbone interact. energy: -0.792 local terms energy: -441.583805 where: bonds (distance) C4'-P energy: -89.672 bonds (distance) P-C4' energy: -106.572 flat angles C4'-P-C4' energy: -95.775 flat angles P-C4'-P energy: -64.964 tors. eta vs tors. theta energy: -84.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -926.919380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.919380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.919380 (E_RNA) where: Base-Base interactions energy: -521.551 where: short stacking energy: -244.998 Base-Backbone interact. energy: -0.114 local terms energy: -405.254899 where: bonds (distance) C4'-P energy: -96.317 bonds (distance) P-C4' energy: -113.284 flat angles C4'-P-C4' energy: -98.840 flat angles P-C4'-P energy: -54.536 tors. eta vs tors. theta energy: -42.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -718.122702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.122702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.122702 (E_RNA) where: Base-Base interactions energy: -352.172 where: short stacking energy: -199.334 Base-Backbone interact. energy: 0.734 local terms energy: -366.684559 where: bonds (distance) C4'-P energy: -100.574 bonds (distance) P-C4' energy: -97.100 flat angles C4'-P-C4' energy: -93.906 flat angles P-C4'-P energy: -49.076 tors. eta vs tors. theta energy: -26.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -564.412565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.412565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.412565 (E_RNA) where: Base-Base interactions energy: -245.517 where: short stacking energy: -168.628 Base-Backbone interact. energy: -1.717 local terms energy: -317.177911 where: bonds (distance) C4'-P energy: -88.664 bonds (distance) P-C4' energy: -102.853 flat angles C4'-P-C4' energy: -77.947 flat angles P-C4'-P energy: -45.959 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -430.027515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.027515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.027515 (E_RNA) where: Base-Base interactions energy: -150.924 where: short stacking energy: -109.647 Base-Backbone interact. energy: 3.017 local terms energy: -282.120457 where: bonds (distance) C4'-P energy: -80.401 bonds (distance) P-C4' energy: -89.717 flat angles C4'-P-C4' energy: -98.092 flat angles P-C4'-P energy: -34.318 tors. eta vs tors. theta energy: 20.408 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: 451 Temperature: 0.900000 Total energy: -1899.099019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.099019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.099019 (E_RNA) where: Base-Base interactions energy: -1305.998 where: short stacking energy: -551.813 Base-Backbone interact. energy: -1.649 local terms energy: -591.451405 where: bonds (distance) C4'-P energy: -98.447 bonds (distance) P-C4' energy: -110.880 flat angles C4'-P-C4' energy: -126.430 flat angles P-C4'-P energy: -88.860 tors. eta vs tors. theta energy: -166.835 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: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1775.751032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.751032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.751032 (E_RNA) where: Base-Base interactions energy: -1221.119 where: short stacking energy: -492.422 Base-Backbone interact. energy: -1.264 local terms energy: -553.367869 where: bonds (distance) C4'-P energy: -117.835 bonds (distance) P-C4' energy: -103.840 flat angles C4'-P-C4' energy: -108.789 flat angles P-C4'-P energy: -80.535 tors. eta vs tors. theta energy: -142.369 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: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1777.041397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.041397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.041397 (E_RNA) where: Base-Base interactions energy: -1220.649 where: short stacking energy: -477.036 Base-Backbone interact. energy: 1.550 local terms energy: -557.942114 where: bonds (distance) C4'-P energy: -103.549 bonds (distance) P-C4' energy: -116.283 flat angles C4'-P-C4' energy: -119.734 flat angles P-C4'-P energy: -70.588 tors. eta vs tors. theta energy: -147.787 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: 451 Temperature: 1.050000 Total energy: -1565.594042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.594042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.594042 (E_RNA) where: Base-Base interactions energy: -1036.552 where: short stacking energy: -461.156 Base-Backbone interact. energy: -1.459 local terms energy: -527.582079 where: bonds (distance) C4'-P energy: -105.132 bonds (distance) P-C4' energy: -107.973 flat angles C4'-P-C4' energy: -109.795 flat angles P-C4'-P energy: -79.497 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: 5, replica: 8 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1425.026637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.026637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.026637 (E_RNA) where: Base-Base interactions energy: -941.141 where: short stacking energy: -397.027 Base-Backbone interact. energy: -2.520 local terms energy: -481.364906 where: bonds (distance) C4'-P energy: -97.120 bonds (distance) P-C4' energy: -80.290 flat angles C4'-P-C4' energy: -109.181 flat angles P-C4'-P energy: -76.178 tors. eta vs tors. theta energy: -118.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1194.997376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.997376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.997376 (E_RNA) where: Base-Base interactions energy: -746.593 where: short stacking energy: -357.301 Base-Backbone interact. energy: -1.239 local terms energy: -447.165608 where: bonds (distance) C4'-P energy: -88.606 bonds (distance) P-C4' energy: -92.680 flat angles C4'-P-C4' energy: -113.698 flat angles P-C4'-P energy: -67.099 tors. eta vs tors. theta energy: -85.082 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: 10 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -918.127991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.127991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.127991 (E_RNA) where: Base-Base interactions energy: -537.187 where: short stacking energy: -265.588 Base-Backbone interact. energy: 0.487 local terms energy: -381.428545 where: bonds (distance) C4'-P energy: -99.481 bonds (distance) P-C4' energy: -97.069 flat angles C4'-P-C4' energy: -92.300 flat angles P-C4'-P energy: -55.900 tors. eta vs tors. theta energy: -36.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -711.726756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.726756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.726756 (E_RNA) where: Base-Base interactions energy: -374.732 where: short stacking energy: -215.480 Base-Backbone interact. energy: 2.147 local terms energy: -339.141395 where: bonds (distance) C4'-P energy: -82.164 bonds (distance) P-C4' energy: -102.909 flat angles C4'-P-C4' energy: -75.891 flat angles P-C4'-P energy: -62.572 tors. eta vs tors. theta energy: -15.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -616.869280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.869280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.869280 (E_RNA) where: Base-Base interactions energy: -278.018 where: short stacking energy: -190.435 Base-Backbone interact. energy: 5.897 local terms energy: -344.747743 where: bonds (distance) C4'-P energy: -104.379 bonds (distance) P-C4' energy: -92.557 flat angles C4'-P-C4' energy: -72.190 flat angles P-C4'-P energy: -54.745 tors. eta vs tors. theta energy: -20.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -407.330731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.330731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.330731 (E_RNA) where: Base-Base interactions energy: -128.887 where: short stacking energy: -112.751 Base-Backbone interact. energy: 4.132 local terms energy: -282.576037 where: bonds (distance) C4'-P energy: -87.082 bonds (distance) P-C4' energy: -104.708 flat angles C4'-P-C4' energy: -77.420 flat angles P-C4'-P energy: -43.333 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: 1, replica: 7 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1895.332945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.332945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.332945 (E_RNA) where: Base-Base interactions energy: -1297.655 where: short stacking energy: -529.913 Base-Backbone interact. energy: -1.757 local terms energy: -595.921536 where: bonds (distance) C4'-P energy: -111.039 bonds (distance) P-C4' energy: -114.394 flat angles C4'-P-C4' energy: -126.806 flat angles P-C4'-P energy: -80.295 tors. eta vs tors. theta energy: -163.387 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: 452 Temperature: 0.950000 Total energy: -1768.813779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.813779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.813779 (E_RNA) where: Base-Base interactions energy: -1208.558 where: short stacking energy: -515.578 Base-Backbone interact. energy: -3.102 local terms energy: -557.154451 where: bonds (distance) C4'-P energy: -107.767 bonds (distance) P-C4' energy: -98.551 flat angles C4'-P-C4' energy: -125.375 flat angles P-C4'-P energy: -71.750 tors. eta vs tors. theta energy: -153.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1779.759952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.759952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.759952 (E_RNA) where: Base-Base interactions energy: -1234.253 where: short stacking energy: -493.439 Base-Backbone interact. energy: -4.269 local terms energy: -541.238320 where: bonds (distance) C4'-P energy: -89.861 bonds (distance) P-C4' energy: -105.200 flat angles C4'-P-C4' energy: -121.418 flat angles P-C4'-P energy: -78.879 tors. eta vs tors. theta energy: -145.881 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: 4, replica: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1589.965967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.965967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.965967 (E_RNA) where: Base-Base interactions energy: -1069.732 where: short stacking energy: -471.718 Base-Backbone interact. energy: -1.737 local terms energy: -518.497627 where: bonds (distance) C4'-P energy: -92.897 bonds (distance) P-C4' energy: -110.317 flat angles C4'-P-C4' energy: -115.579 flat angles P-C4'-P energy: -74.504 tors. eta vs tors. theta energy: -125.201 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: 5, replica: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1399.079619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.079619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.079619 (E_RNA) where: Base-Base interactions energy: -908.437 where: short stacking energy: -390.952 Base-Backbone interact. energy: -0.335 local terms energy: -490.306897 where: bonds (distance) C4'-P energy: -104.350 bonds (distance) P-C4' energy: -101.244 flat angles C4'-P-C4' energy: -112.379 flat angles P-C4'-P energy: -64.268 tors. eta vs tors. theta energy: -108.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1205.702097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.702097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.702097 (E_RNA) where: Base-Base interactions energy: -744.651 where: short stacking energy: -346.893 Base-Backbone interact. energy: -1.442 local terms energy: -459.609641 where: bonds (distance) C4'-P energy: -89.673 bonds (distance) P-C4' energy: -107.818 flat angles C4'-P-C4' energy: -109.125 flat angles P-C4'-P energy: -59.371 tors. eta vs tors. theta energy: -93.622 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: 452 Temperature: 1.200000 Total energy: -927.349355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.349355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.349355 (E_RNA) where: Base-Base interactions energy: -531.233 where: short stacking energy: -268.768 Base-Backbone interact. energy: -0.012 local terms energy: -396.104091 where: bonds (distance) C4'-P energy: -91.577 bonds (distance) P-C4' energy: -97.220 flat angles C4'-P-C4' energy: -91.385 flat angles P-C4'-P energy: -65.095 tors. eta vs tors. theta energy: -50.828 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: 5 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -744.488034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.488034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.488034 (E_RNA) where: Base-Base interactions energy: -388.470 where: short stacking energy: -221.134 Base-Backbone interact. energy: 0.551 local terms energy: -356.569214 where: bonds (distance) C4'-P energy: -86.209 bonds (distance) P-C4' energy: -102.034 flat angles C4'-P-C4' energy: -91.543 flat angles P-C4'-P energy: -47.158 tors. eta vs tors. theta energy: -29.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -554.810991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.810991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.810991 (E_RNA) where: Base-Base interactions energy: -264.980 where: short stacking energy: -161.389 Base-Backbone interact. energy: 4.650 local terms energy: -294.481474 where: bonds (distance) C4'-P energy: -72.313 bonds (distance) P-C4' energy: -98.225 flat angles C4'-P-C4' energy: -82.607 flat angles P-C4'-P energy: -37.750 tors. eta vs tors. theta energy: -3.587 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: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -433.435305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.435305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.435305 (E_RNA) where: Base-Base interactions energy: -142.875 where: short stacking energy: -109.816 Base-Backbone interact. energy: -0.588 local terms energy: -289.972336 where: bonds (distance) C4'-P energy: -105.572 bonds (distance) P-C4' energy: -89.438 flat angles C4'-P-C4' energy: -84.089 flat angles P-C4'-P energy: -47.484 tors. eta vs tors. theta energy: 36.612 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: 7 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1890.953735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.953735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.953735 (E_RNA) where: Base-Base interactions energy: -1279.040 where: short stacking energy: -536.733 Base-Backbone interact. energy: -0.584 local terms energy: -611.329900 where: bonds (distance) C4'-P energy: -105.561 bonds (distance) P-C4' energy: -110.291 flat angles C4'-P-C4' energy: -130.398 flat angles P-C4'-P energy: -95.881 tors. eta vs tors. theta energy: -169.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1852.037931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.037931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.037931 (E_RNA) where: Base-Base interactions energy: -1299.090 where: short stacking energy: -523.671 Base-Backbone interact. energy: -3.778 local terms energy: -549.169776 where: bonds (distance) C4'-P energy: -93.398 bonds (distance) P-C4' energy: -105.359 flat angles C4'-P-C4' energy: -107.668 flat angles P-C4'-P energy: -84.031 tors. eta vs tors. theta energy: -158.714 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: 1 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1738.484548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.484548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.484548 (E_RNA) where: Base-Base interactions energy: -1183.116 where: short stacking energy: -467.582 Base-Backbone interact. energy: -2.894 local terms energy: -552.474298 where: bonds (distance) C4'-P energy: -103.270 bonds (distance) P-C4' energy: -107.080 flat angles C4'-P-C4' energy: -119.540 flat angles P-C4'-P energy: -79.762 tors. eta vs tors. theta energy: -142.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1586.628735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.628735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.628735 (E_RNA) where: Base-Base interactions energy: -1081.139 where: short stacking energy: -438.587 Base-Backbone interact. energy: -2.462 local terms energy: -503.027414 where: bonds (distance) C4'-P energy: -98.941 bonds (distance) P-C4' energy: -100.611 flat angles C4'-P-C4' energy: -115.967 flat angles P-C4'-P energy: -71.546 tors. eta vs tors. theta energy: -115.964 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: 5, replica: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1463.210923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.210923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.210923 (E_RNA) where: Base-Base interactions energy: -948.981 where: short stacking energy: -407.387 Base-Backbone interact. energy: -1.007 local terms energy: -513.222818 where: bonds (distance) C4'-P energy: -110.706 bonds (distance) P-C4' energy: -99.002 flat angles C4'-P-C4' energy: -109.816 flat angles P-C4'-P energy: -77.975 tors. eta vs tors. theta energy: -115.724 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: 2 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1183.138261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.138261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.138261 (E_RNA) where: Base-Base interactions energy: -737.795 where: short stacking energy: -347.728 Base-Backbone interact. energy: -2.585 local terms energy: -442.758023 where: bonds (distance) C4'-P energy: -99.081 bonds (distance) P-C4' energy: -95.992 flat angles C4'-P-C4' energy: -102.167 flat angles P-C4'-P energy: -57.758 tors. eta vs tors. theta energy: -87.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -916.024346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.024346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.024346 (E_RNA) where: Base-Base interactions energy: -509.603 where: short stacking energy: -285.534 Base-Backbone interact. energy: 1.001 local terms energy: -407.422947 where: bonds (distance) C4'-P energy: -101.533 bonds (distance) P-C4' energy: -102.080 flat angles C4'-P-C4' energy: -93.048 flat angles P-C4'-P energy: -61.484 tors. eta vs tors. theta energy: -49.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -685.400309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.400309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.400309 (E_RNA) where: Base-Base interactions energy: -347.076 where: short stacking energy: -199.670 Base-Backbone interact. energy: -0.497 local terms energy: -337.826790 where: bonds (distance) C4'-P energy: -94.639 bonds (distance) P-C4' energy: -99.133 flat angles C4'-P-C4' energy: -69.823 flat angles P-C4'-P energy: -59.181 tors. eta vs tors. theta energy: -15.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -547.403501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.403501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.403501 (E_RNA) where: Base-Base interactions energy: -231.911 where: short stacking energy: -149.725 Base-Backbone interact. energy: -0.022 local terms energy: -315.470034 where: bonds (distance) C4'-P energy: -95.242 bonds (distance) P-C4' energy: -80.258 flat angles C4'-P-C4' energy: -100.020 flat angles P-C4'-P energy: -45.297 tors. eta vs tors. theta energy: 5.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -447.057986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.057986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.057986 (E_RNA) where: Base-Base interactions energy: -148.126 where: short stacking energy: -120.689 Base-Backbone interact. energy: 4.442 local terms energy: -303.373924 where: bonds (distance) C4'-P energy: -85.907 bonds (distance) P-C4' energy: -96.865 flat angles C4'-P-C4' energy: -69.056 flat angles P-C4'-P energy: -62.924 tors. eta vs tors. theta energy: 11.377 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: 7 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1901.194906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.194906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.194906 (E_RNA) where: Base-Base interactions energy: -1299.324 where: short stacking energy: -547.335 Base-Backbone interact. energy: -4.044 local terms energy: -597.827294 where: bonds (distance) C4'-P energy: -100.038 bonds (distance) P-C4' energy: -113.674 flat angles C4'-P-C4' energy: -125.835 flat angles P-C4'-P energy: -84.162 tors. eta vs tors. theta energy: -174.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1823.005371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.005371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.005371 (E_RNA) where: Base-Base interactions energy: -1255.454 where: short stacking energy: -517.801 Base-Backbone interact. energy: 1.507 local terms energy: -569.057799 where: bonds (distance) C4'-P energy: -99.112 bonds (distance) P-C4' energy: -110.479 flat angles C4'-P-C4' energy: -123.635 flat angles P-C4'-P energy: -81.429 tors. eta vs tors. theta energy: -154.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1761.742752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.742752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.742752 (E_RNA) where: Base-Base interactions energy: -1205.048 where: short stacking energy: -493.970 Base-Backbone interact. energy: -2.679 local terms energy: -554.015314 where: bonds (distance) C4'-P energy: -110.650 bonds (distance) P-C4' energy: -109.613 flat angles C4'-P-C4' energy: -117.784 flat angles P-C4'-P energy: -72.843 tors. eta vs tors. theta energy: -143.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1533.150519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.150519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.150519 (E_RNA) where: Base-Base interactions energy: -1030.429 where: short stacking energy: -441.247 Base-Backbone interact. energy: -1.416 local terms energy: -501.304770 where: bonds (distance) C4'-P energy: -94.272 bonds (distance) P-C4' energy: -99.278 flat angles C4'-P-C4' energy: -107.047 flat angles P-C4'-P energy: -82.036 tors. eta vs tors. theta energy: -118.672 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: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1424.185051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.185051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.185051 (E_RNA) where: Base-Base interactions energy: -940.426 where: short stacking energy: -385.113 Base-Backbone interact. energy: -3.641 local terms energy: -480.117653 where: bonds (distance) C4'-P energy: -92.842 bonds (distance) P-C4' energy: -101.154 flat angles C4'-P-C4' energy: -110.773 flat angles P-C4'-P energy: -67.223 tors. eta vs tors. theta energy: -108.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1198.647724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.647724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.647724 (E_RNA) where: Base-Base interactions energy: -737.138 where: short stacking energy: -343.194 Base-Backbone interact. energy: -0.939 local terms energy: -460.570248 where: bonds (distance) C4'-P energy: -108.917 bonds (distance) P-C4' energy: -101.220 flat angles C4'-P-C4' energy: -103.308 flat angles P-C4'-P energy: -64.241 tors. eta vs tors. theta energy: -82.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -863.573777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.573777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.573777 (E_RNA) where: Base-Base interactions energy: -479.665 where: short stacking energy: -256.291 Base-Backbone interact. energy: -1.837 local terms energy: -382.072133 where: bonds (distance) C4'-P energy: -85.953 bonds (distance) P-C4' energy: -95.098 flat angles C4'-P-C4' energy: -89.016 flat angles P-C4'-P energy: -55.237 tors. eta vs tors. theta energy: -56.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -731.316104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.316104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.316104 (E_RNA) where: Base-Base interactions energy: -370.894 where: short stacking energy: -174.503 Base-Backbone interact. energy: -1.015 local terms energy: -359.407216 where: bonds (distance) C4'-P energy: -86.702 bonds (distance) P-C4' energy: -110.499 flat angles C4'-P-C4' energy: -92.273 flat angles P-C4'-P energy: -63.369 tors. eta vs tors. theta energy: -6.565 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: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -562.448700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.448700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.448700 (E_RNA) where: Base-Base interactions energy: -255.046 where: short stacking energy: -155.364 Base-Backbone interact. energy: 2.052 local terms energy: -309.454705 where: bonds (distance) C4'-P energy: -102.957 bonds (distance) P-C4' energy: -96.319 flat angles C4'-P-C4' energy: -71.452 flat angles P-C4'-P energy: -36.221 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: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -420.147701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.147701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.147701 (E_RNA) where: Base-Base interactions energy: -154.087 where: short stacking energy: -118.206 Base-Backbone interact. energy: 0.547 local terms energy: -266.607387 where: bonds (distance) C4'-P energy: -75.194 bonds (distance) P-C4' energy: -84.580 flat angles C4'-P-C4' energy: -75.178 flat angles P-C4'-P energy: -53.960 tors. eta vs tors. theta energy: 22.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1922.200907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.200907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.200907 (E_RNA) where: Base-Base interactions energy: -1295.327 where: short stacking energy: -549.510 Base-Backbone interact. energy: -2.457 local terms energy: -624.416417 where: bonds (distance) C4'-P energy: -112.627 bonds (distance) P-C4' energy: -118.906 flat angles C4'-P-C4' energy: -126.361 flat angles P-C4'-P energy: -94.181 tors. eta vs tors. theta energy: -172.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1800.820375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.820375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.820375 (E_RNA) where: Base-Base interactions energy: -1228.382 where: short stacking energy: -522.124 Base-Backbone interact. energy: -1.178 local terms energy: -571.259517 where: bonds (distance) C4'-P energy: -100.520 bonds (distance) P-C4' energy: -124.627 flat angles C4'-P-C4' energy: -125.961 flat angles P-C4'-P energy: -71.738 tors. eta vs tors. theta energy: -148.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1755.505037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.505037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.505037 (E_RNA) where: Base-Base interactions energy: -1181.805 where: short stacking energy: -487.554 Base-Backbone interact. energy: -5.570 local terms energy: -568.129960 where: bonds (distance) C4'-P energy: -111.796 bonds (distance) P-C4' energy: -108.449 flat angles C4'-P-C4' energy: -124.660 flat angles P-C4'-P energy: -75.068 tors. eta vs tors. theta energy: -148.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1577.254866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.254866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.254866 (E_RNA) where: Base-Base interactions energy: -1067.154 where: short stacking energy: -451.564 Base-Backbone interact. energy: -0.605 local terms energy: -509.496132 where: bonds (distance) C4'-P energy: -81.987 bonds (distance) P-C4' energy: -104.126 flat angles C4'-P-C4' energy: -119.682 flat angles P-C4'-P energy: -74.936 tors. eta vs tors. theta energy: -128.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1438.067314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.067314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.067314 (E_RNA) where: Base-Base interactions energy: -950.986 where: short stacking energy: -407.324 Base-Backbone interact. energy: -0.360 local terms energy: -486.721153 where: bonds (distance) C4'-P energy: -103.595 bonds (distance) P-C4' energy: -111.347 flat angles C4'-P-C4' energy: -109.142 flat angles P-C4'-P energy: -52.007 tors. eta vs tors. theta energy: -110.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1197.695416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.695416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.695416 (E_RNA) where: Base-Base interactions energy: -743.888 where: short stacking energy: -341.459 Base-Backbone interact. energy: 3.701 local terms energy: -457.508258 where: bonds (distance) C4'-P energy: -99.311 bonds (distance) P-C4' energy: -109.247 flat angles C4'-P-C4' energy: -110.079 flat angles P-C4'-P energy: -61.394 tors. eta vs tors. theta energy: -77.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -815.442222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.442222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.442222 (E_RNA) where: Base-Base interactions energy: -443.794 where: short stacking energy: -212.633 Base-Backbone interact. energy: 1.473 local terms energy: -373.121835 where: bonds (distance) C4'-P energy: -98.531 bonds (distance) P-C4' energy: -105.853 flat angles C4'-P-C4' energy: -102.391 flat angles P-C4'-P energy: -49.799 tors. eta vs tors. theta energy: -16.547 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: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -625.497725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.497725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.497725 (E_RNA) where: Base-Base interactions energy: -286.628 where: short stacking energy: -190.649 Base-Backbone interact. energy: 0.831 local terms energy: -339.700418 where: bonds (distance) C4'-P energy: -94.291 bonds (distance) P-C4' energy: -96.175 flat angles C4'-P-C4' energy: -84.783 flat angles P-C4'-P energy: -53.721 tors. eta vs tors. theta energy: -10.732 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: 5 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -750.516240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.516240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.516240 (E_RNA) where: Base-Base interactions energy: -415.543 where: short stacking energy: -220.658 Base-Backbone interact. energy: 1.332 local terms energy: -336.305045 where: bonds (distance) C4'-P energy: -78.265 bonds (distance) P-C4' energy: -102.454 flat angles C4'-P-C4' energy: -84.407 flat angles P-C4'-P energy: -48.609 tors. eta vs tors. theta energy: -22.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -480.090804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.090804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.090804 (E_RNA) where: Base-Base interactions energy: -157.187 where: short stacking energy: -122.956 Base-Backbone interact. energy: 1.203 local terms energy: -324.107165 where: bonds (distance) C4'-P energy: -94.195 bonds (distance) P-C4' energy: -95.730 flat angles C4'-P-C4' energy: -78.426 flat angles P-C4'-P energy: -58.587 tors. eta vs tors. theta energy: 2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1918.621417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.621417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.621417 (E_RNA) where: Base-Base interactions energy: -1307.563 where: short stacking energy: -554.219 Base-Backbone interact. energy: -2.465 local terms energy: -608.593244 where: bonds (distance) C4'-P energy: -107.867 bonds (distance) P-C4' energy: -114.323 flat angles C4'-P-C4' energy: -137.064 flat angles P-C4'-P energy: -75.847 tors. eta vs tors. theta energy: -173.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1819.172536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.172536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.172536 (E_RNA) where: Base-Base interactions energy: -1234.849 where: short stacking energy: -510.923 Base-Backbone interact. energy: -2.887 local terms energy: -581.436530 where: bonds (distance) C4'-P energy: -113.797 bonds (distance) P-C4' energy: -114.731 flat angles C4'-P-C4' energy: -122.413 flat angles P-C4'-P energy: -73.317 tors. eta vs tors. theta energy: -157.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1787.899145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.899145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.899145 (E_RNA) where: Base-Base interactions energy: -1217.237 where: short stacking energy: -527.959 Base-Backbone interact. energy: -3.366 local terms energy: -567.295637 where: bonds (distance) C4'-P energy: -102.100 bonds (distance) P-C4' energy: -111.908 flat angles C4'-P-C4' energy: -119.577 flat angles P-C4'-P energy: -78.403 tors. eta vs tors. theta energy: -155.307 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: 456 Temperature: 1.050000 Total energy: -1558.183203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.183203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.183203 (E_RNA) where: Base-Base interactions energy: -1059.331 where: short stacking energy: -441.865 Base-Backbone interact. energy: 2.437 local terms energy: -501.289359 where: bonds (distance) C4'-P energy: -106.249 bonds (distance) P-C4' energy: -92.535 flat angles C4'-P-C4' energy: -109.865 flat angles P-C4'-P energy: -75.695 tors. eta vs tors. theta energy: -116.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1507.564427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.564427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.564427 (E_RNA) where: Base-Base interactions energy: -998.900 where: short stacking energy: -445.321 Base-Backbone interact. energy: -3.757 local terms energy: -504.907053 where: bonds (distance) C4'-P energy: -77.949 bonds (distance) P-C4' energy: -118.004 flat angles C4'-P-C4' energy: -107.536 flat angles P-C4'-P energy: -77.376 tors. eta vs tors. theta energy: -124.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1186.952138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.952138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.952138 (E_RNA) where: Base-Base interactions energy: -756.164 where: short stacking energy: -345.722 Base-Backbone interact. energy: -0.734 local terms energy: -430.054081 where: bonds (distance) C4'-P energy: -86.931 bonds (distance) P-C4' energy: -99.065 flat angles C4'-P-C4' energy: -93.717 flat angles P-C4'-P energy: -65.101 tors. eta vs tors. theta energy: -85.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -799.862476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.862476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.862476 (E_RNA) where: Base-Base interactions energy: -453.570 where: short stacking energy: -192.948 Base-Backbone interact. energy: -1.882 local terms energy: -344.410666 where: bonds (distance) C4'-P energy: -87.299 bonds (distance) P-C4' energy: -94.448 flat angles C4'-P-C4' energy: -105.271 flat angles P-C4'-P energy: -45.702 tors. eta vs tors. theta energy: -11.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -626.274881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.274881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.274881 (E_RNA) where: Base-Base interactions energy: -289.139 where: short stacking energy: -187.603 Base-Backbone interact. energy: -3.126 local terms energy: -334.009328 where: bonds (distance) C4'-P energy: -98.564 bonds (distance) P-C4' energy: -102.330 flat angles C4'-P-C4' energy: -73.572 flat angles P-C4'-P energy: -55.300 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -676.908837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.908837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.908837 (E_RNA) where: Base-Base interactions energy: -331.036 where: short stacking energy: -154.246 Base-Backbone interact. energy: -0.337 local terms energy: -345.535040 where: bonds (distance) C4'-P energy: -101.778 bonds (distance) P-C4' energy: -94.428 flat angles C4'-P-C4' energy: -88.906 flat angles P-C4'-P energy: -59.836 tors. eta vs tors. theta energy: -0.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -409.484149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.484149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.484149 (E_RNA) where: Base-Base interactions energy: -124.417 where: short stacking energy: -106.242 Base-Backbone interact. energy: 3.067 local terms energy: -288.133732 where: bonds (distance) C4'-P energy: -75.584 bonds (distance) P-C4' energy: -107.370 flat angles C4'-P-C4' energy: -83.912 flat angles P-C4'-P energy: -55.681 tors. eta vs tors. theta energy: 34.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1925.140414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.140414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.140414 (E_RNA) where: Base-Base interactions energy: -1316.629 where: short stacking energy: -557.753 Base-Backbone interact. energy: -3.084 local terms energy: -605.427058 where: bonds (distance) C4'-P energy: -104.676 bonds (distance) P-C4' energy: -114.369 flat angles C4'-P-C4' energy: -127.920 flat angles P-C4'-P energy: -87.478 tors. eta vs tors. theta energy: -170.983 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: 1 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1839.108003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.108003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.108003 (E_RNA) where: Base-Base interactions energy: -1267.889 where: short stacking energy: -546.399 Base-Backbone interact. energy: 0.350 local terms energy: -571.569612 where: bonds (distance) C4'-P energy: -100.691 bonds (distance) P-C4' energy: -117.066 flat angles C4'-P-C4' energy: -121.815 flat angles P-C4'-P energy: -74.088 tors. eta vs tors. theta energy: -157.910 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: 3 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1755.701245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.701245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.701245 (E_RNA) where: Base-Base interactions energy: -1210.302 where: short stacking energy: -493.652 Base-Backbone interact. energy: -4.488 local terms energy: -540.911262 where: bonds (distance) C4'-P energy: -96.529 bonds (distance) P-C4' energy: -109.132 flat angles C4'-P-C4' energy: -108.284 flat angles P-C4'-P energy: -75.151 tors. eta vs tors. theta energy: -151.816 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: 457 Temperature: 1.050000 Total energy: -1539.171154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.171154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.171154 (E_RNA) where: Base-Base interactions energy: -1031.593 where: short stacking energy: -427.654 Base-Backbone interact. energy: -2.183 local terms energy: -505.395598 where: bonds (distance) C4'-P energy: -98.743 bonds (distance) P-C4' energy: -109.276 flat angles C4'-P-C4' energy: -116.553 flat angles P-C4'-P energy: -63.517 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: 5, replica: 8 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1463.223644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.223644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.223644 (E_RNA) where: Base-Base interactions energy: -961.699 where: short stacking energy: -411.679 Base-Backbone interact. energy: 0.113 local terms energy: -501.637365 where: bonds (distance) C4'-P energy: -92.647 bonds (distance) P-C4' energy: -105.229 flat angles C4'-P-C4' energy: -113.394 flat angles P-C4'-P energy: -71.513 tors. eta vs tors. theta energy: -118.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1208.862734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.862734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.862734 (E_RNA) where: Base-Base interactions energy: -780.214 where: short stacking energy: -351.631 Base-Backbone interact. energy: -1.699 local terms energy: -426.948982 where: bonds (distance) C4'-P energy: -83.336 bonds (distance) P-C4' energy: -102.932 flat angles C4'-P-C4' energy: -85.499 flat angles P-C4'-P energy: -69.899 tors. eta vs tors. theta energy: -85.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -868.956584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.956584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.956584 (E_RNA) where: Base-Base interactions energy: -500.441 where: short stacking energy: -276.001 Base-Backbone interact. energy: 8.425 local terms energy: -376.940732 where: bonds (distance) C4'-P energy: -94.057 bonds (distance) P-C4' energy: -97.528 flat angles C4'-P-C4' energy: -89.593 flat angles P-C4'-P energy: -59.063 tors. eta vs tors. theta energy: -36.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -604.944288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.944288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.944288 (E_RNA) where: Base-Base interactions energy: -295.446 where: short stacking energy: -145.160 Base-Backbone interact. energy: -2.334 local terms energy: -307.164244 where: bonds (distance) C4'-P energy: -88.109 bonds (distance) P-C4' energy: -102.128 flat angles C4'-P-C4' energy: -76.123 flat angles P-C4'-P energy: -33.247 tors. eta vs tors. theta energy: -7.558 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: 5 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -645.087552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.087552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.087552 (E_RNA) where: Base-Base interactions energy: -337.170 where: short stacking energy: -173.298 Base-Backbone interact. energy: 1.206 local terms energy: -309.123369 where: bonds (distance) C4'-P energy: -79.913 bonds (distance) P-C4' energy: -97.494 flat angles C4'-P-C4' energy: -78.205 flat angles P-C4'-P energy: -44.816 tors. eta vs tors. theta energy: -8.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -413.798606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.798606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.798606 (E_RNA) where: Base-Base interactions energy: -146.934 where: short stacking energy: -122.717 Base-Backbone interact. energy: 3.758 local terms energy: -270.623043 where: bonds (distance) C4'-P energy: -86.094 bonds (distance) P-C4' energy: -97.992 flat angles C4'-P-C4' energy: -70.859 flat angles P-C4'-P energy: -31.000 tors. eta vs tors. theta energy: 15.322 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: 7 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1906.628049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.628049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.628049 (E_RNA) where: Base-Base interactions energy: -1312.551 where: short stacking energy: -565.859 Base-Backbone interact. energy: 0.151 local terms energy: -594.228097 where: bonds (distance) C4'-P energy: -105.489 bonds (distance) P-C4' energy: -109.117 flat angles C4'-P-C4' energy: -122.936 flat angles P-C4'-P energy: -82.322 tors. eta vs tors. theta energy: -174.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1806.870006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.870006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.870006 (E_RNA) where: Base-Base interactions energy: -1236.301 where: short stacking energy: -528.515 Base-Backbone interact. energy: -6.380 local terms energy: -564.188543 where: bonds (distance) C4'-P energy: -82.229 bonds (distance) P-C4' energy: -113.897 flat angles C4'-P-C4' energy: -124.635 flat angles P-C4'-P energy: -86.866 tors. eta vs tors. theta energy: -156.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1743.385662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.385662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.385662 (E_RNA) where: Base-Base interactions energy: -1206.271 where: short stacking energy: -465.310 Base-Backbone interact. energy: -5.184 local terms energy: -531.930563 where: bonds (distance) C4'-P energy: -98.688 bonds (distance) P-C4' energy: -100.410 flat angles C4'-P-C4' energy: -114.457 flat angles P-C4'-P energy: -86.711 tors. eta vs tors. theta energy: -131.665 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: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1565.454900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.454900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.454900 (E_RNA) where: Base-Base interactions energy: -1052.336 where: short stacking energy: -452.277 Base-Backbone interact. energy: -1.372 local terms energy: -511.746400 where: bonds (distance) C4'-P energy: -83.021 bonds (distance) P-C4' energy: -109.694 flat angles C4'-P-C4' energy: -105.382 flat angles P-C4'-P energy: -84.506 tors. eta vs tors. theta energy: -129.143 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: 8 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1453.792206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.792206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.792206 (E_RNA) where: Base-Base interactions energy: -948.664 where: short stacking energy: -421.178 Base-Backbone interact. energy: -3.497 local terms energy: -501.631425 where: bonds (distance) C4'-P energy: -104.179 bonds (distance) P-C4' energy: -102.059 flat angles C4'-P-C4' energy: -108.282 flat angles P-C4'-P energy: -66.706 tors. eta vs tors. theta energy: -120.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1164.120627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.120627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.120627 (E_RNA) where: Base-Base interactions energy: -710.736 where: short stacking energy: -339.886 Base-Backbone interact. energy: 1.154 local terms energy: -454.538484 where: bonds (distance) C4'-P energy: -91.007 bonds (distance) P-C4' energy: -104.674 flat angles C4'-P-C4' energy: -105.978 flat angles P-C4'-P energy: -73.852 tors. eta vs tors. theta energy: -79.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -874.430793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.430793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.430793 (E_RNA) where: Base-Base interactions energy: -490.888 where: short stacking energy: -261.613 Base-Backbone interact. energy: -0.090 local terms energy: -383.453098 where: bonds (distance) C4'-P energy: -90.424 bonds (distance) P-C4' energy: -106.916 flat angles C4'-P-C4' energy: -88.876 flat angles P-C4'-P energy: -60.494 tors. eta vs tors. theta energy: -36.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -599.304270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.304270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.304270 (E_RNA) where: Base-Base interactions energy: -256.947 where: short stacking energy: -154.199 Base-Backbone interact. energy: -1.973 local terms energy: -340.384103 where: bonds (distance) C4'-P energy: -84.632 bonds (distance) P-C4' energy: -97.941 flat angles C4'-P-C4' energy: -87.441 flat angles P-C4'-P energy: -59.623 tors. eta vs tors. theta energy: -10.748 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: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -707.665257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.665257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.665257 (E_RNA) where: Base-Base interactions energy: -386.820 where: short stacking energy: -206.659 Base-Backbone interact. energy: 1.663 local terms energy: -322.507557 where: bonds (distance) C4'-P energy: -89.518 bonds (distance) P-C4' energy: -92.613 flat angles C4'-P-C4' energy: -76.730 flat angles P-C4'-P energy: -41.770 tors. eta vs tors. theta energy: -21.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -424.125790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.125790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.125790 (E_RNA) where: Base-Base interactions energy: -144.086 where: short stacking energy: -111.741 Base-Backbone interact. energy: 1.900 local terms energy: -281.939750 where: bonds (distance) C4'-P energy: -97.859 bonds (distance) P-C4' energy: -96.092 flat angles C4'-P-C4' energy: -77.435 flat angles P-C4'-P energy: -43.094 tors. eta vs tors. theta energy: 32.540 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: 1, replica: 7 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1880.663670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.663670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.663670 (E_RNA) where: Base-Base interactions energy: -1288.350 where: short stacking energy: -538.190 Base-Backbone interact. energy: -3.290 local terms energy: -589.024069 where: bonds (distance) C4'-P energy: -112.431 bonds (distance) P-C4' energy: -113.151 flat angles C4'-P-C4' energy: -122.918 flat angles P-C4'-P energy: -74.949 tors. eta vs tors. theta energy: -165.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1807.814021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.814021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.814021 (E_RNA) where: Base-Base interactions energy: -1245.907 where: short stacking energy: -516.698 Base-Backbone interact. energy: -4.246 local terms energy: -557.660184 where: bonds (distance) C4'-P energy: -107.670 bonds (distance) P-C4' energy: -110.685 flat angles C4'-P-C4' energy: -112.661 flat angles P-C4'-P energy: -73.245 tors. eta vs tors. theta energy: -153.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1779.151917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.151917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.151917 (E_RNA) where: Base-Base interactions energy: -1214.998 where: short stacking energy: -493.749 Base-Backbone interact. energy: 0.263 local terms energy: -564.416104 where: bonds (distance) C4'-P energy: -110.529 bonds (distance) P-C4' energy: -112.135 flat angles C4'-P-C4' energy: -121.676 flat angles P-C4'-P energy: -74.793 tors. eta vs tors. theta energy: -145.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1580.819355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.819355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.819355 (E_RNA) where: Base-Base interactions energy: -1058.133 where: short stacking energy: -447.551 Base-Backbone interact. energy: 0.791 local terms energy: -523.477452 where: bonds (distance) C4'-P energy: -100.088 bonds (distance) P-C4' energy: -105.925 flat angles C4'-P-C4' energy: -119.966 flat angles P-C4'-P energy: -72.029 tors. eta vs tors. theta energy: -125.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1492.184376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.184376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.184376 (E_RNA) where: Base-Base interactions energy: -999.717 where: short stacking energy: -435.241 Base-Backbone interact. energy: -2.952 local terms energy: -489.515294 where: bonds (distance) C4'-P energy: -77.509 bonds (distance) P-C4' energy: -108.451 flat angles C4'-P-C4' energy: -116.545 flat angles P-C4'-P energy: -76.753 tors. eta vs tors. theta energy: -110.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1142.598353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.598353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.598353 (E_RNA) where: Base-Base interactions energy: -708.260 where: short stacking energy: -328.223 Base-Backbone interact. energy: -0.292 local terms energy: -434.045593 where: bonds (distance) C4'-P energy: -104.449 bonds (distance) P-C4' energy: -91.379 flat angles C4'-P-C4' energy: -87.405 flat angles P-C4'-P energy: -56.100 tors. eta vs tors. theta energy: -94.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -909.048232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.048232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.048232 (E_RNA) where: Base-Base interactions energy: -523.623 where: short stacking energy: -245.162 Base-Backbone interact. energy: -1.286 local terms energy: -384.138875 where: bonds (distance) C4'-P energy: -95.126 bonds (distance) P-C4' energy: -94.787 flat angles C4'-P-C4' energy: -91.786 flat angles P-C4'-P energy: -61.489 tors. eta vs tors. theta energy: -40.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -813.161403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.161403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.161403 (E_RNA) where: Base-Base interactions energy: -450.516 where: short stacking energy: -242.007 Base-Backbone interact. energy: 3.374 local terms energy: -366.019555 where: bonds (distance) C4'-P energy: -79.029 bonds (distance) P-C4' energy: -99.542 flat angles C4'-P-C4' energy: -88.676 flat angles P-C4'-P energy: -68.829 tors. eta vs tors. theta energy: -29.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -586.038813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.038813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.038813 (E_RNA) where: Base-Base interactions energy: -273.049 where: short stacking energy: -165.020 Base-Backbone interact. energy: 0.151 local terms energy: -313.141479 where: bonds (distance) C4'-P energy: -78.868 bonds (distance) P-C4' energy: -87.264 flat angles C4'-P-C4' energy: -79.723 flat angles P-C4'-P energy: -54.578 tors. eta vs tors. theta energy: -12.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -416.927283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.927283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.927283 (E_RNA) where: Base-Base interactions energy: -117.376 where: short stacking energy: -100.090 Base-Backbone interact. energy: 0.805 local terms energy: -300.356626 where: bonds (distance) C4'-P energy: -86.213 bonds (distance) P-C4' energy: -95.211 flat angles C4'-P-C4' energy: -89.290 flat angles P-C4'-P energy: -48.367 tors. eta vs tors. theta energy: 18.724 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: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1865.849229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.849229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.849229 (E_RNA) where: Base-Base interactions energy: -1267.964 where: short stacking energy: -567.992 Base-Backbone interact. energy: 0.225 local terms energy: -598.110002 where: bonds (distance) C4'-P energy: -108.575 bonds (distance) P-C4' energy: -112.851 flat angles C4'-P-C4' energy: -122.164 flat angles P-C4'-P energy: -76.422 tors. eta vs tors. theta energy: -178.098 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: 2, replica: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1790.961558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.961558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.961558 (E_RNA) where: Base-Base interactions energy: -1236.304 where: short stacking energy: -531.301 Base-Backbone interact. energy: -3.921 local terms energy: -550.736415 where: bonds (distance) C4'-P energy: -93.888 bonds (distance) P-C4' energy: -109.479 flat angles C4'-P-C4' energy: -114.199 flat angles P-C4'-P energy: -78.893 tors. eta vs tors. theta energy: -154.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1748.124650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.124650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.124650 (E_RNA) where: Base-Base interactions energy: -1179.598 where: short stacking energy: -499.403 Base-Backbone interact. energy: -2.227 local terms energy: -566.299012 where: bonds (distance) C4'-P energy: -110.632 bonds (distance) P-C4' energy: -102.330 flat angles C4'-P-C4' energy: -123.193 flat angles P-C4'-P energy: -80.266 tors. eta vs tors. theta energy: -149.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1558.765454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.765454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.765454 (E_RNA) where: Base-Base interactions energy: -1036.345 where: short stacking energy: -444.651 Base-Backbone interact. energy: -0.429 local terms energy: -521.991477 where: bonds (distance) C4'-P energy: -107.477 bonds (distance) P-C4' energy: -106.577 flat angles C4'-P-C4' energy: -105.629 flat angles P-C4'-P energy: -72.621 tors. eta vs tors. theta energy: -129.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1470.769828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.769828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.769828 (E_RNA) where: Base-Base interactions energy: -966.411 where: short stacking energy: -417.826 Base-Backbone interact. energy: -1.601 local terms energy: -502.758373 where: bonds (distance) C4'-P energy: -110.948 bonds (distance) P-C4' energy: -89.708 flat angles C4'-P-C4' energy: -99.535 flat angles P-C4'-P energy: -79.578 tors. eta vs tors. theta energy: -122.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1118.838625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.838625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.838625 (E_RNA) where: Base-Base interactions energy: -701.166 where: short stacking energy: -320.810 Base-Backbone interact. energy: 1.875 local terms energy: -419.547489 where: bonds (distance) C4'-P energy: -93.428 bonds (distance) P-C4' energy: -100.077 flat angles C4'-P-C4' energy: -91.303 flat angles P-C4'-P energy: -60.089 tors. eta vs tors. theta energy: -74.651 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: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -897.406292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.406292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.406292 (E_RNA) where: Base-Base interactions energy: -493.702 where: short stacking energy: -274.178 Base-Backbone interact. energy: -0.323 local terms energy: -403.381317 where: bonds (distance) C4'-P energy: -94.213 bonds (distance) P-C4' energy: -95.427 flat angles C4'-P-C4' energy: -103.615 flat angles P-C4'-P energy: -56.130 tors. eta vs tors. theta energy: -53.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -784.377572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.377572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.377572 (E_RNA) where: Base-Base interactions energy: -426.386 where: short stacking energy: -224.013 Base-Backbone interact. energy: -0.566 local terms energy: -357.425576 where: bonds (distance) C4'-P energy: -101.459 bonds (distance) P-C4' energy: -93.018 flat angles C4'-P-C4' energy: -85.388 flat angles P-C4'-P energy: -44.668 tors. eta vs tors. theta energy: -32.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -535.692940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.692940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.692940 (E_RNA) where: Base-Base interactions energy: -237.858 where: short stacking energy: -138.124 Base-Backbone interact. energy: 1.176 local terms energy: -299.010587 where: bonds (distance) C4'-P energy: -73.871 bonds (distance) P-C4' energy: -97.587 flat angles C4'-P-C4' energy: -104.591 flat angles P-C4'-P energy: -45.595 tors. eta vs tors. theta energy: 22.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -413.932819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.932819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.932819 (E_RNA) where: Base-Base interactions energy: -141.212 where: short stacking energy: -110.736 Base-Backbone interact. energy: -0.984 local terms energy: -271.737078 where: bonds (distance) C4'-P energy: -80.972 bonds (distance) P-C4' energy: -84.186 flat angles C4'-P-C4' energy: -73.486 flat angles P-C4'-P energy: -61.039 tors. eta vs tors. theta energy: 27.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1874.845161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.845161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.845161 (E_RNA) where: Base-Base interactions energy: -1272.575 where: short stacking energy: -574.996 Base-Backbone interact. energy: -2.440 local terms energy: -599.829634 where: bonds (distance) C4'-P energy: -114.662 bonds (distance) P-C4' energy: -104.261 flat angles C4'-P-C4' energy: -132.393 flat angles P-C4'-P energy: -82.774 tors. eta vs tors. theta energy: -165.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1779.735982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.735982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.735982 (E_RNA) where: Base-Base interactions energy: -1208.687 where: short stacking energy: -513.707 Base-Backbone interact. energy: -3.171 local terms energy: -567.877186 where: bonds (distance) C4'-P energy: -118.276 bonds (distance) P-C4' energy: -102.088 flat angles C4'-P-C4' energy: -109.027 flat angles P-C4'-P energy: -84.306 tors. eta vs tors. theta energy: -154.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1758.566298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.566298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.566298 (E_RNA) where: Base-Base interactions energy: -1198.984 where: short stacking energy: -512.824 Base-Backbone interact. energy: -2.322 local terms energy: -557.260163 where: bonds (distance) C4'-P energy: -104.797 bonds (distance) P-C4' energy: -100.650 flat angles C4'-P-C4' energy: -131.743 flat angles P-C4'-P energy: -65.437 tors. eta vs tors. theta energy: -154.632 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: 8 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1572.379510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.379510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.379510 (E_RNA) where: Base-Base interactions energy: -1042.941 where: short stacking energy: -462.804 Base-Backbone interact. energy: -2.583 local terms energy: -526.855276 where: bonds (distance) C4'-P energy: -102.549 bonds (distance) P-C4' energy: -105.422 flat angles C4'-P-C4' energy: -108.078 flat angles P-C4'-P energy: -78.775 tors. eta vs tors. theta energy: -132.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1492.121846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.121846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.121846 (E_RNA) where: Base-Base interactions energy: -990.571 where: short stacking energy: -408.867 Base-Backbone interact. energy: -3.579 local terms energy: -497.972007 where: bonds (distance) C4'-P energy: -111.019 bonds (distance) P-C4' energy: -98.535 flat angles C4'-P-C4' energy: -108.350 flat angles P-C4'-P energy: -68.916 tors. eta vs tors. theta energy: -111.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1069.164763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.164763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.164763 (E_RNA) where: Base-Base interactions energy: -665.635 where: short stacking energy: -286.271 Base-Backbone interact. energy: -0.634 local terms energy: -402.895194 where: bonds (distance) C4'-P energy: -85.813 bonds (distance) P-C4' energy: -94.053 flat angles C4'-P-C4' energy: -96.587 flat angles P-C4'-P energy: -57.612 tors. eta vs tors. theta energy: -68.830 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: 10 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -914.625810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.625810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.625810 (E_RNA) where: Base-Base interactions energy: -523.764 where: short stacking energy: -262.321 Base-Backbone interact. energy: -0.107 local terms energy: -390.754677 where: bonds (distance) C4'-P energy: -96.768 bonds (distance) P-C4' energy: -106.520 flat angles C4'-P-C4' energy: -93.903 flat angles P-C4'-P energy: -52.444 tors. eta vs tors. theta energy: -41.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -790.475987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.475987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.475987 (E_RNA) where: Base-Base interactions energy: -428.685 where: short stacking energy: -240.537 Base-Backbone interact. energy: 1.720 local terms energy: -363.511435 where: bonds (distance) C4'-P energy: -91.713 bonds (distance) P-C4' energy: -101.591 flat angles C4'-P-C4' energy: -91.099 flat angles P-C4'-P energy: -50.358 tors. eta vs tors. theta energy: -28.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -549.127183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.127183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.127183 (E_RNA) where: Base-Base interactions energy: -241.474 where: short stacking energy: -146.084 Base-Backbone interact. energy: -0.317 local terms energy: -307.336552 where: bonds (distance) C4'-P energy: -91.824 bonds (distance) P-C4' energy: -88.841 flat angles C4'-P-C4' energy: -82.845 flat angles P-C4'-P energy: -41.699 tors. eta vs tors. theta energy: -2.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -447.857893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.857893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.857893 (E_RNA) where: Base-Base interactions energy: -130.129 where: short stacking energy: -105.719 Base-Backbone interact. energy: 4.660 local terms energy: -322.388649 where: bonds (distance) C4'-P energy: -94.941 bonds (distance) P-C4' energy: -90.135 flat angles C4'-P-C4' energy: -82.904 flat angles P-C4'-P energy: -59.922 tors. eta vs tors. theta energy: 5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1892.166816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.166816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.166816 (E_RNA) where: Base-Base interactions energy: -1303.171 where: short stacking energy: -569.756 Base-Backbone interact. energy: -1.640 local terms energy: -587.355524 where: bonds (distance) C4'-P energy: -108.359 bonds (distance) P-C4' energy: -99.913 flat angles C4'-P-C4' energy: -126.444 flat angles P-C4'-P energy: -82.969 tors. eta vs tors. theta energy: -169.671 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: 2, replica: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1784.827089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.827089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.827089 (E_RNA) where: Base-Base interactions energy: -1201.872 where: short stacking energy: -510.159 Base-Backbone interact. energy: -4.781 local terms energy: -578.174432 where: bonds (distance) C4'-P energy: -104.341 bonds (distance) P-C4' energy: -112.227 flat angles C4'-P-C4' energy: -117.306 flat angles P-C4'-P energy: -83.411 tors. eta vs tors. theta energy: -160.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1759.309957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.309957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.309957 (E_RNA) where: Base-Base interactions energy: -1198.220 where: short stacking energy: -484.229 Base-Backbone interact. energy: -2.414 local terms energy: -558.675926 where: bonds (distance) C4'-P energy: -99.750 bonds (distance) P-C4' energy: -121.744 flat angles C4'-P-C4' energy: -109.849 flat angles P-C4'-P energy: -83.310 tors. eta vs tors. theta energy: -144.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1612.546846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.546846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.546846 (E_RNA) where: Base-Base interactions energy: -1081.456 where: short stacking energy: -472.730 Base-Backbone interact. energy: -1.301 local terms energy: -529.789371 where: bonds (distance) C4'-P energy: -87.193 bonds (distance) P-C4' energy: -112.594 flat angles C4'-P-C4' energy: -124.499 flat angles P-C4'-P energy: -64.853 tors. eta vs tors. theta energy: -140.650 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: 5, replica: 6 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1497.865484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.865484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.865484 (E_RNA) where: Base-Base interactions energy: -986.566 where: short stacking energy: -430.068 Base-Backbone interact. energy: -1.333 local terms energy: -509.966742 where: bonds (distance) C4'-P energy: -90.740 bonds (distance) P-C4' energy: -101.810 flat angles C4'-P-C4' energy: -116.650 flat angles P-C4'-P energy: -81.793 tors. eta vs tors. theta energy: -118.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1140.369897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.369897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.369897 (E_RNA) where: Base-Base interactions energy: -709.200 where: short stacking energy: -361.622 Base-Backbone interact. energy: 0.817 local terms energy: -431.987366 where: bonds (distance) C4'-P energy: -93.608 bonds (distance) P-C4' energy: -101.106 flat angles C4'-P-C4' energy: -99.621 flat angles P-C4'-P energy: -62.760 tors. eta vs tors. theta energy: -74.893 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: 10 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -992.991325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.991325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.991325 (E_RNA) where: Base-Base interactions energy: -590.421 where: short stacking energy: -255.927 Base-Backbone interact. energy: 0.607 local terms energy: -403.177442 where: bonds (distance) C4'-P energy: -84.565 bonds (distance) P-C4' energy: -110.163 flat angles C4'-P-C4' energy: -105.395 flat angles P-C4'-P energy: -60.602 tors. eta vs tors. theta energy: -42.453 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: 5 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -769.127685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.127685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.127685 (E_RNA) where: Base-Base interactions energy: -410.083 where: short stacking energy: -211.043 Base-Backbone interact. energy: 3.096 local terms energy: -362.140540 where: bonds (distance) C4'-P energy: -95.061 bonds (distance) P-C4' energy: -109.820 flat angles C4'-P-C4' energy: -82.175 flat angles P-C4'-P energy: -58.249 tors. eta vs tors. theta energy: -16.837 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: 9, replica: 9 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -544.202080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.202080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.202080 (E_RNA) where: Base-Base interactions energy: -235.269 where: short stacking energy: -161.954 Base-Backbone interact. energy: 6.051 local terms energy: -314.983347 where: bonds (distance) C4'-P energy: -81.394 bonds (distance) P-C4' energy: -99.716 flat angles C4'-P-C4' energy: -78.120 flat angles P-C4'-P energy: -60.779 tors. eta vs tors. theta energy: 5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -416.220295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.220295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.220295 (E_RNA) where: Base-Base interactions energy: -142.209 where: short stacking energy: -111.496 Base-Backbone interact. energy: 3.035 local terms energy: -277.045801 where: bonds (distance) C4'-P energy: -97.292 bonds (distance) P-C4' energy: -78.455 flat angles C4'-P-C4' energy: -78.296 flat angles P-C4'-P energy: -35.468 tors. eta vs tors. theta energy: 12.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1900.945910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.945910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.945910 (E_RNA) where: Base-Base interactions energy: -1312.065 where: short stacking energy: -566.865 Base-Backbone interact. energy: -2.823 local terms energy: -586.058402 where: bonds (distance) C4'-P energy: -113.404 bonds (distance) P-C4' energy: -103.447 flat angles C4'-P-C4' energy: -111.550 flat angles P-C4'-P energy: -87.884 tors. eta vs tors. theta energy: -169.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1789.169212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.169212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.169212 (E_RNA) where: Base-Base interactions energy: -1227.851 where: short stacking energy: -542.501 Base-Backbone interact. energy: 0.616 local terms energy: -561.933840 where: bonds (distance) C4'-P energy: -111.270 bonds (distance) P-C4' energy: -100.854 flat angles C4'-P-C4' energy: -119.387 flat angles P-C4'-P energy: -73.182 tors. eta vs tors. theta energy: -157.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1751.779411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.779411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.779411 (E_RNA) where: Base-Base interactions energy: -1206.532 where: short stacking energy: -505.387 Base-Backbone interact. energy: -0.007 local terms energy: -545.240077 where: bonds (distance) C4'-P energy: -106.597 bonds (distance) P-C4' energy: -108.553 flat angles C4'-P-C4' energy: -102.585 flat angles P-C4'-P energy: -71.705 tors. eta vs tors. theta energy: -155.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1630.488808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.488808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.488808 (E_RNA) where: Base-Base interactions energy: -1096.129 where: short stacking energy: -471.748 Base-Backbone interact. energy: -3.533 local terms energy: -530.826709 where: bonds (distance) C4'-P energy: -104.760 bonds (distance) P-C4' energy: -94.013 flat angles C4'-P-C4' energy: -118.458 flat angles P-C4'-P energy: -82.050 tors. eta vs tors. theta energy: -131.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1505.153372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.153372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.153372 (E_RNA) where: Base-Base interactions energy: -997.814 where: short stacking energy: -437.772 Base-Backbone interact. energy: -1.747 local terms energy: -505.592226 where: bonds (distance) C4'-P energy: -96.811 bonds (distance) P-C4' energy: -94.744 flat angles C4'-P-C4' energy: -113.155 flat angles P-C4'-P energy: -74.361 tors. eta vs tors. theta energy: -126.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1099.771182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.771182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.771182 (E_RNA) where: Base-Base interactions energy: -658.996 where: short stacking energy: -308.053 Base-Backbone interact. energy: -3.410 local terms energy: -437.365090 where: bonds (distance) C4'-P energy: -107.308 bonds (distance) P-C4' energy: -102.574 flat angles C4'-P-C4' energy: -100.852 flat angles P-C4'-P energy: -61.692 tors. eta vs tors. theta energy: -64.939 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: 7, replica: 10 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -969.347738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.347738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.347738 (E_RNA) where: Base-Base interactions energy: -607.115 where: short stacking energy: -285.028 Base-Backbone interact. energy: -0.224 local terms energy: -362.008158 where: bonds (distance) C4'-P energy: -88.591 bonds (distance) P-C4' energy: -87.696 flat angles C4'-P-C4' energy: -100.113 flat angles P-C4'-P energy: -37.664 tors. eta vs tors. theta energy: -47.944 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: 8, replica: 5 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -740.546442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.546442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.546442 (E_RNA) where: Base-Base interactions energy: -418.495 where: short stacking energy: -211.100 Base-Backbone interact. energy: -3.656 local terms energy: -318.395506 where: bonds (distance) C4'-P energy: -88.637 bonds (distance) P-C4' energy: -100.862 flat angles C4'-P-C4' energy: -71.262 flat angles P-C4'-P energy: -38.932 tors. eta vs tors. theta energy: -18.702 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: 463 Temperature: 1.300000 Total energy: -577.191611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.191611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.191611 (E_RNA) where: Base-Base interactions energy: -269.399 where: short stacking energy: -161.463 Base-Backbone interact. energy: 0.704 local terms energy: -308.496390 where: bonds (distance) C4'-P energy: -82.036 bonds (distance) P-C4' energy: -88.304 flat angles C4'-P-C4' energy: -88.483 flat angles P-C4'-P energy: -36.021 tors. eta vs tors. theta energy: -13.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -471.441276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.441276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.441276 (E_RNA) where: Base-Base interactions energy: -155.329 where: short stacking energy: -134.265 Base-Backbone interact. energy: -0.536 local terms energy: -315.575972 where: bonds (distance) C4'-P energy: -101.016 bonds (distance) P-C4' energy: -102.159 flat angles C4'-P-C4' energy: -76.891 flat angles P-C4'-P energy: -40.917 tors. eta vs tors. theta energy: 5.407 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: 7 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1922.591464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.591464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.591464 (E_RNA) where: Base-Base interactions energy: -1315.692 where: short stacking energy: -552.114 Base-Backbone interact. energy: 0.705 local terms energy: -607.604446 where: bonds (distance) C4'-P energy: -117.800 bonds (distance) P-C4' energy: -116.833 flat angles C4'-P-C4' energy: -117.155 flat angles P-C4'-P energy: -83.437 tors. eta vs tors. theta energy: -172.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1818.667974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.667974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.667974 (E_RNA) where: Base-Base interactions energy: -1244.456 where: short stacking energy: -526.886 Base-Backbone interact. energy: -1.467 local terms energy: -572.744654 where: bonds (distance) C4'-P energy: -108.804 bonds (distance) P-C4' energy: -97.949 flat angles C4'-P-C4' energy: -122.897 flat angles P-C4'-P energy: -82.119 tors. eta vs tors. theta energy: -160.975 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: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1767.083887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.083887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.083887 (E_RNA) where: Base-Base interactions energy: -1216.779 where: short stacking energy: -498.868 Base-Backbone interact. energy: -2.272 local terms energy: -548.033165 where: bonds (distance) C4'-P energy: -101.727 bonds (distance) P-C4' energy: -88.941 flat angles C4'-P-C4' energy: -119.066 flat angles P-C4'-P energy: -89.624 tors. eta vs tors. theta energy: -148.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1633.009724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.009724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.009724 (E_RNA) where: Base-Base interactions energy: -1123.628 where: short stacking energy: -440.417 Base-Backbone interact. energy: -0.632 local terms energy: -508.749658 where: bonds (distance) C4'-P energy: -99.038 bonds (distance) P-C4' energy: -99.282 flat angles C4'-P-C4' energy: -111.857 flat angles P-C4'-P energy: -72.346 tors. eta vs tors. theta energy: -126.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1469.619079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.619079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.619079 (E_RNA) where: Base-Base interactions energy: -998.769 where: short stacking energy: -410.725 Base-Backbone interact. energy: -1.705 local terms energy: -469.145081 where: bonds (distance) C4'-P energy: -92.234 bonds (distance) P-C4' energy: -89.492 flat angles C4'-P-C4' energy: -104.911 flat angles P-C4'-P energy: -73.884 tors. eta vs tors. theta energy: -108.624 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: 2 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1101.263466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.263466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.263466 (E_RNA) where: Base-Base interactions energy: -660.779 where: short stacking energy: -320.664 Base-Backbone interact. energy: 0.873 local terms energy: -441.357755 where: bonds (distance) C4'-P energy: -102.233 bonds (distance) P-C4' energy: -99.051 flat angles C4'-P-C4' energy: -105.673 flat angles P-C4'-P energy: -60.913 tors. eta vs tors. theta energy: -73.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -919.245349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.245349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.245349 (E_RNA) where: Base-Base interactions energy: -534.461 where: short stacking energy: -243.870 Base-Backbone interact. energy: -0.758 local terms energy: -384.025912 where: bonds (distance) C4'-P energy: -96.383 bonds (distance) P-C4' energy: -108.362 flat angles C4'-P-C4' energy: -89.688 flat angles P-C4'-P energy: -57.379 tors. eta vs tors. theta energy: -32.214 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: 5 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -746.225113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.225113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.225113 (E_RNA) where: Base-Base interactions energy: -400.615 where: short stacking energy: -194.791 Base-Backbone interact. energy: 6.201 local terms energy: -351.810581 where: bonds (distance) C4'-P energy: -95.125 bonds (distance) P-C4' energy: -107.896 flat angles C4'-P-C4' energy: -92.443 flat angles P-C4'-P energy: -52.226 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -551.431136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.431136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.431136 (E_RNA) where: Base-Base interactions energy: -243.700 where: short stacking energy: -134.546 Base-Backbone interact. energy: 4.054 local terms energy: -311.785653 where: bonds (distance) C4'-P energy: -96.252 bonds (distance) P-C4' energy: -104.462 flat angles C4'-P-C4' energy: -80.526 flat angles P-C4'-P energy: -42.372 tors. eta vs tors. theta energy: 11.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -422.781929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.781929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.781929 (E_RNA) where: Base-Base interactions energy: -140.442 where: short stacking energy: -99.527 Base-Backbone interact. energy: 1.933 local terms energy: -284.273160 where: bonds (distance) C4'-P energy: -78.119 bonds (distance) P-C4' energy: -95.327 flat angles C4'-P-C4' energy: -93.382 flat angles P-C4'-P energy: -40.212 tors. eta vs tors. theta energy: 22.768 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: 465 Temperature: 0.900000 Total energy: -1890.676242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.676242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.676242 (E_RNA) where: Base-Base interactions energy: -1298.221 where: short stacking energy: -574.949 Base-Backbone interact. energy: -2.733 local terms energy: -589.722111 where: bonds (distance) C4'-P energy: -101.784 bonds (distance) P-C4' energy: -115.124 flat angles C4'-P-C4' energy: -112.588 flat angles P-C4'-P energy: -85.295 tors. eta vs tors. theta energy: -174.931 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: 465 Temperature: 0.950000 Total energy: -1770.673913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.673913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.673913 (E_RNA) where: Base-Base interactions energy: -1194.803 where: short stacking energy: -510.513 Base-Backbone interact. energy: -4.319 local terms energy: -571.551545 where: bonds (distance) C4'-P energy: -106.040 bonds (distance) P-C4' energy: -97.349 flat angles C4'-P-C4' energy: -119.341 flat angles P-C4'-P energy: -90.740 tors. eta vs tors. theta energy: -158.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1752.858752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.858752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.858752 (E_RNA) where: Base-Base interactions energy: -1236.805 where: short stacking energy: -501.607 Base-Backbone interact. energy: 4.464 local terms energy: -520.517689 where: bonds (distance) C4'-P energy: -97.332 bonds (distance) P-C4' energy: -95.446 flat angles C4'-P-C4' energy: -121.026 flat angles P-C4'-P energy: -64.063 tors. eta vs tors. theta energy: -142.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1635.286195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.286195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.286195 (E_RNA) where: Base-Base interactions energy: -1146.502 where: short stacking energy: -480.996 Base-Backbone interact. energy: -1.833 local terms energy: -486.951267 where: bonds (distance) C4'-P energy: -91.949 bonds (distance) P-C4' energy: -85.895 flat angles C4'-P-C4' energy: -107.977 flat angles P-C4'-P energy: -60.868 tors. eta vs tors. theta energy: -140.262 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: 5, replica: 6 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1454.493982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.493982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.493982 (E_RNA) where: Base-Base interactions energy: -953.727 where: short stacking energy: -421.600 Base-Backbone interact. energy: -3.657 local terms energy: -497.109692 where: bonds (distance) C4'-P energy: -102.167 bonds (distance) P-C4' energy: -92.305 flat angles C4'-P-C4' energy: -111.420 flat angles P-C4'-P energy: -83.964 tors. eta vs tors. theta energy: -107.253 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: 2 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1161.447981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.447981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.447981 (E_RNA) where: Base-Base interactions energy: -718.286 where: short stacking energy: -337.132 Base-Backbone interact. energy: -1.249 local terms energy: -441.912585 where: bonds (distance) C4'-P energy: -92.509 bonds (distance) P-C4' energy: -105.892 flat angles C4'-P-C4' energy: -97.967 flat angles P-C4'-P energy: -78.551 tors. eta vs tors. theta energy: -66.993 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: 7, replica: 10 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -907.247525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.247525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.247525 (E_RNA) where: Base-Base interactions energy: -523.911 where: short stacking energy: -266.777 Base-Backbone interact. energy: -2.075 local terms energy: -381.261563 where: bonds (distance) C4'-P energy: -91.654 bonds (distance) P-C4' energy: -100.631 flat angles C4'-P-C4' energy: -91.760 flat angles P-C4'-P energy: -61.700 tors. eta vs tors. theta energy: -35.517 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: 8, replica: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -778.866903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.866903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.866903 (E_RNA) where: Base-Base interactions energy: -427.151 where: short stacking energy: -244.209 Base-Backbone interact. energy: -1.872 local terms energy: -349.843845 where: bonds (distance) C4'-P energy: -81.212 bonds (distance) P-C4' energy: -100.622 flat angles C4'-P-C4' energy: -99.984 flat angles P-C4'-P energy: -34.673 tors. eta vs tors. theta energy: -33.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -538.738926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.738926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.738926 (E_RNA) where: Base-Base interactions energy: -226.846 where: short stacking energy: -145.869 Base-Backbone interact. energy: -0.004 local terms energy: -311.889027 where: bonds (distance) C4'-P energy: -80.958 bonds (distance) P-C4' energy: -104.306 flat angles C4'-P-C4' energy: -73.719 flat angles P-C4'-P energy: -51.063 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -420.887498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.887498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.887498 (E_RNA) where: Base-Base interactions energy: -119.838 where: short stacking energy: -104.155 Base-Backbone interact. energy: 0.465 local terms energy: -301.514621 where: bonds (distance) C4'-P energy: -97.662 bonds (distance) P-C4' energy: -103.125 flat angles C4'-P-C4' energy: -85.397 flat angles P-C4'-P energy: -31.823 tors. eta vs tors. theta energy: 16.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1920.727540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.727540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.727540 (E_RNA) where: Base-Base interactions energy: -1291.489 where: short stacking energy: -548.343 Base-Backbone interact. energy: -1.657 local terms energy: -627.581753 where: bonds (distance) C4'-P energy: -113.958 bonds (distance) P-C4' energy: -113.813 flat angles C4'-P-C4' energy: -131.909 flat angles P-C4'-P energy: -86.191 tors. eta vs tors. theta energy: -181.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1798.993986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.993986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.993986 (E_RNA) where: Base-Base interactions energy: -1230.930 where: short stacking energy: -524.315 Base-Backbone interact. energy: -3.367 local terms energy: -564.697331 where: bonds (distance) C4'-P energy: -99.991 bonds (distance) P-C4' energy: -109.702 flat angles C4'-P-C4' energy: -122.599 flat angles P-C4'-P energy: -71.276 tors. eta vs tors. theta energy: -161.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1720.137358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.137358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.137358 (E_RNA) where: Base-Base interactions energy: -1176.817 where: short stacking energy: -486.569 Base-Backbone interact. energy: -0.071 local terms energy: -543.248972 where: bonds (distance) C4'-P energy: -89.408 bonds (distance) P-C4' energy: -109.330 flat angles C4'-P-C4' energy: -109.918 flat angles P-C4'-P energy: -83.523 tors. eta vs tors. theta energy: -151.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1629.863880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.863880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.863880 (E_RNA) where: Base-Base interactions energy: -1092.338 where: short stacking energy: -454.000 Base-Backbone interact. energy: -2.415 local terms energy: -535.111513 where: bonds (distance) C4'-P energy: -103.605 bonds (distance) P-C4' energy: -115.985 flat angles C4'-P-C4' energy: -123.460 flat angles P-C4'-P energy: -61.233 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: 6 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1427.729388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.729388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.729388 (E_RNA) where: Base-Base interactions energy: -930.644 where: short stacking energy: -389.667 Base-Backbone interact. energy: -0.469 local terms energy: -496.616422 where: bonds (distance) C4'-P energy: -108.026 bonds (distance) P-C4' energy: -104.630 flat angles C4'-P-C4' energy: -102.467 flat angles P-C4'-P energy: -71.090 tors. eta vs tors. theta energy: -110.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1142.231511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.231511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.231511 (E_RNA) where: Base-Base interactions energy: -725.026 where: short stacking energy: -345.495 Base-Backbone interact. energy: 2.097 local terms energy: -419.302989 where: bonds (distance) C4'-P energy: -86.117 bonds (distance) P-C4' energy: -109.954 flat angles C4'-P-C4' energy: -84.053 flat angles P-C4'-P energy: -66.972 tors. eta vs tors. theta energy: -72.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -887.806425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.806425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.806425 (E_RNA) where: Base-Base interactions energy: -507.793 where: short stacking energy: -276.972 Base-Backbone interact. energy: 2.506 local terms energy: -382.519037 where: bonds (distance) C4'-P energy: -104.449 bonds (distance) P-C4' energy: -93.581 flat angles C4'-P-C4' energy: -93.113 flat angles P-C4'-P energy: -50.586 tors. eta vs tors. theta energy: -40.791 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: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -735.147503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.147503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.147503 (E_RNA) where: Base-Base interactions energy: -407.592 where: short stacking energy: -231.175 Base-Backbone interact. energy: 3.006 local terms energy: -330.561948 where: bonds (distance) C4'-P energy: -94.560 bonds (distance) P-C4' energy: -89.507 flat angles C4'-P-C4' energy: -83.351 flat angles P-C4'-P energy: -41.200 tors. eta vs tors. theta energy: -21.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -543.425358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.425358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.425358 (E_RNA) where: Base-Base interactions energy: -241.973 where: short stacking energy: -147.417 Base-Backbone interact. energy: 5.410 local terms energy: -306.862868 where: bonds (distance) C4'-P energy: -84.621 bonds (distance) P-C4' energy: -95.187 flat angles C4'-P-C4' energy: -81.357 flat angles P-C4'-P energy: -54.414 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: 10, replica: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -412.399195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.399195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.399195 (E_RNA) where: Base-Base interactions energy: -144.387 where: short stacking energy: -124.596 Base-Backbone interact. energy: -0.918 local terms energy: -267.094181 where: bonds (distance) C4'-P energy: -92.601 bonds (distance) P-C4' energy: -87.047 flat angles C4'-P-C4' energy: -67.484 flat angles P-C4'-P energy: -40.362 tors. eta vs tors. theta energy: 20.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1901.736269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.736269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.736269 (E_RNA) where: Base-Base interactions energy: -1277.227 where: short stacking energy: -547.134 Base-Backbone interact. energy: 1.005 local terms energy: -625.514053 where: bonds (distance) C4'-P energy: -110.964 bonds (distance) P-C4' energy: -114.044 flat angles C4'-P-C4' energy: -131.547 flat angles P-C4'-P energy: -91.289 tors. eta vs tors. theta energy: -177.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1808.446108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.446108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.446108 (E_RNA) where: Base-Base interactions energy: -1224.212 where: short stacking energy: -525.952 Base-Backbone interact. energy: -5.869 local terms energy: -578.365161 where: bonds (distance) C4'-P energy: -116.195 bonds (distance) P-C4' energy: -99.809 flat angles C4'-P-C4' energy: -122.689 flat angles P-C4'-P energy: -85.672 tors. eta vs tors. theta energy: -154.001 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: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1754.540424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.540424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.540424 (E_RNA) where: Base-Base interactions energy: -1219.549 where: short stacking energy: -495.649 Base-Backbone interact. energy: -5.005 local terms energy: -529.986787 where: bonds (distance) C4'-P energy: -101.293 bonds (distance) P-C4' energy: -102.859 flat angles C4'-P-C4' energy: -107.710 flat angles P-C4'-P energy: -70.695 tors. eta vs tors. theta energy: -147.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1658.647364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.647364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.647364 (E_RNA) where: Base-Base interactions energy: -1128.264 where: short stacking energy: -463.428 Base-Backbone interact. energy: 2.815 local terms energy: -533.197827 where: bonds (distance) C4'-P energy: -104.165 bonds (distance) P-C4' energy: -98.308 flat angles C4'-P-C4' energy: -119.890 flat angles P-C4'-P energy: -73.447 tors. eta vs tors. theta energy: -137.387 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: 6 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1435.959770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.959770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.959770 (E_RNA) where: Base-Base interactions energy: -940.922 where: short stacking energy: -419.373 Base-Backbone interact. energy: -1.907 local terms energy: -493.130712 where: bonds (distance) C4'-P energy: -106.902 bonds (distance) P-C4' energy: -100.139 flat angles C4'-P-C4' energy: -113.751 flat angles P-C4'-P energy: -77.473 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: 2 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1150.083587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.083587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.083587 (E_RNA) where: Base-Base interactions energy: -740.272 where: short stacking energy: -340.033 Base-Backbone interact. energy: 3.390 local terms energy: -413.201829 where: bonds (distance) C4'-P energy: -89.382 bonds (distance) P-C4' energy: -97.585 flat angles C4'-P-C4' energy: -90.785 flat angles P-C4'-P energy: -67.252 tors. eta vs tors. theta energy: -68.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -888.438808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.438808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.438808 (E_RNA) where: Base-Base interactions energy: -521.993 where: short stacking energy: -247.937 Base-Backbone interact. energy: -1.016 local terms energy: -365.430199 where: bonds (distance) C4'-P energy: -99.627 bonds (distance) P-C4' energy: -93.044 flat angles C4'-P-C4' energy: -86.585 flat angles P-C4'-P energy: -59.599 tors. eta vs tors. theta energy: -26.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -715.032527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.032527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.032527 (E_RNA) where: Base-Base interactions energy: -387.921 where: short stacking energy: -186.749 Base-Backbone interact. energy: -1.675 local terms energy: -325.436326 where: bonds (distance) C4'-P energy: -90.056 bonds (distance) P-C4' energy: -103.904 flat angles C4'-P-C4' energy: -82.344 flat angles P-C4'-P energy: -44.444 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -549.772443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.772443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.772443 (E_RNA) where: Base-Base interactions energy: -251.967 where: short stacking energy: -159.289 Base-Backbone interact. energy: -2.570 local terms energy: -295.235591 where: bonds (distance) C4'-P energy: -90.087 bonds (distance) P-C4' energy: -102.140 flat angles C4'-P-C4' energy: -70.472 flat angles P-C4'-P energy: -44.884 tors. eta vs tors. theta energy: 12.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -462.386783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.386783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.386783 (E_RNA) where: Base-Base interactions energy: -164.348 where: short stacking energy: -118.300 Base-Backbone interact. energy: -0.700 local terms energy: -297.339264 where: bonds (distance) C4'-P energy: -97.432 bonds (distance) P-C4' energy: -92.717 flat angles C4'-P-C4' energy: -70.729 flat angles P-C4'-P energy: -50.119 tors. eta vs tors. theta energy: 13.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1884.188272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.188272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.188272 (E_RNA) where: Base-Base interactions energy: -1287.188 where: short stacking energy: -545.476 Base-Backbone interact. energy: -0.537 local terms energy: -596.464050 where: bonds (distance) C4'-P energy: -115.834 bonds (distance) P-C4' energy: -97.054 flat angles C4'-P-C4' energy: -123.362 flat angles P-C4'-P energy: -89.313 tors. eta vs tors. theta energy: -170.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1781.359276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.359276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.359276 (E_RNA) where: Base-Base interactions energy: -1206.703 where: short stacking energy: -511.246 Base-Backbone interact. energy: -2.229 local terms energy: -572.427924 where: bonds (distance) C4'-P energy: -99.825 bonds (distance) P-C4' energy: -117.747 flat angles C4'-P-C4' energy: -120.714 flat angles P-C4'-P energy: -81.268 tors. eta vs tors. theta energy: -152.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1760.097983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.097983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.097983 (E_RNA) where: Base-Base interactions energy: -1213.153 where: short stacking energy: -508.111 Base-Backbone interact. energy: -2.761 local terms energy: -544.184210 where: bonds (distance) C4'-P energy: -96.553 bonds (distance) P-C4' energy: -111.554 flat angles C4'-P-C4' energy: -120.855 flat angles P-C4'-P energy: -79.637 tors. eta vs tors. theta energy: -135.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1651.531601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.531601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.531601 (E_RNA) where: Base-Base interactions energy: -1129.139 where: short stacking energy: -470.623 Base-Backbone interact. energy: -0.914 local terms energy: -521.478932 where: bonds (distance) C4'-P energy: -99.539 bonds (distance) P-C4' energy: -100.137 flat angles C4'-P-C4' energy: -117.636 flat angles P-C4'-P energy: -66.272 tors. eta vs tors. theta energy: -137.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1399.631232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.631232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.631232 (E_RNA) where: Base-Base interactions energy: -908.005 where: short stacking energy: -394.433 Base-Backbone interact. energy: -3.240 local terms energy: -488.386626 where: bonds (distance) C4'-P energy: -103.787 bonds (distance) P-C4' energy: -104.146 flat angles C4'-P-C4' energy: -104.807 flat angles P-C4'-P energy: -65.535 tors. eta vs tors. theta energy: -110.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1121.602888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.602888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.602888 (E_RNA) where: Base-Base interactions energy: -706.898 where: short stacking energy: -312.986 Base-Backbone interact. energy: -5.092 local terms energy: -409.612961 where: bonds (distance) C4'-P energy: -85.113 bonds (distance) P-C4' energy: -93.482 flat angles C4'-P-C4' energy: -107.547 flat angles P-C4'-P energy: -52.633 tors. eta vs tors. theta energy: -70.837 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: 7, replica: 10 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -935.456058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.456058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.456058 (E_RNA) where: Base-Base interactions energy: -547.492 where: short stacking energy: -243.075 Base-Backbone interact. energy: -3.131 local terms energy: -384.833229 where: bonds (distance) C4'-P energy: -86.278 bonds (distance) P-C4' energy: -109.230 flat angles C4'-P-C4' energy: -83.847 flat angles P-C4'-P energy: -55.198 tors. eta vs tors. theta energy: -50.281 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: 5 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -791.523727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.523727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.523727 (E_RNA) where: Base-Base interactions energy: -393.122 where: short stacking energy: -223.157 Base-Backbone interact. energy: 0.537 local terms energy: -398.938782 where: bonds (distance) C4'-P energy: -104.841 bonds (distance) P-C4' energy: -91.101 flat angles C4'-P-C4' energy: -91.476 flat angles P-C4'-P energy: -71.045 tors. eta vs tors. theta energy: -40.476 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: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -533.823504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.823504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.823504 (E_RNA) where: Base-Base interactions energy: -213.907 where: short stacking energy: -149.046 Base-Backbone interact. energy: -1.061 local terms energy: -318.855286 where: bonds (distance) C4'-P energy: -89.133 bonds (distance) P-C4' energy: -105.217 flat angles C4'-P-C4' energy: -78.154 flat angles P-C4'-P energy: -57.679 tors. eta vs tors. theta energy: 11.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -471.521208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.521208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.521208 (E_RNA) where: Base-Base interactions energy: -201.900 where: short stacking energy: -127.315 Base-Backbone interact. energy: -2.092 local terms energy: -267.528723 where: bonds (distance) C4'-P energy: -82.881 bonds (distance) P-C4' energy: -86.477 flat angles C4'-P-C4' energy: -83.999 flat angles P-C4'-P energy: -30.986 tors. eta vs tors. theta energy: 16.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1883.746023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.746023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.746023 (E_RNA) where: Base-Base interactions energy: -1269.167 where: short stacking energy: -537.467 Base-Backbone interact. energy: -1.267 local terms energy: -613.312389 where: bonds (distance) C4'-P energy: -113.741 bonds (distance) P-C4' energy: -114.651 flat angles C4'-P-C4' energy: -121.834 flat angles P-C4'-P energy: -90.562 tors. eta vs tors. theta energy: -172.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1777.899571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.899571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.899571 (E_RNA) where: Base-Base interactions energy: -1209.482 where: short stacking energy: -509.518 Base-Backbone interact. energy: -1.319 local terms energy: -567.099033 where: bonds (distance) C4'-P energy: -98.391 bonds (distance) P-C4' energy: -121.944 flat angles C4'-P-C4' energy: -120.538 flat angles P-C4'-P energy: -82.704 tors. eta vs tors. theta energy: -143.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1751.300572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.300572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.300572 (E_RNA) where: Base-Base interactions energy: -1196.817 where: short stacking energy: -502.305 Base-Backbone interact. energy: 2.677 local terms energy: -557.160647 where: bonds (distance) C4'-P energy: -108.630 bonds (distance) P-C4' energy: -103.333 flat angles C4'-P-C4' energy: -113.995 flat angles P-C4'-P energy: -87.464 tors. eta vs tors. theta energy: -143.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1600.163111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.163111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.163111 (E_RNA) where: Base-Base interactions energy: -1083.015 where: short stacking energy: -440.755 Base-Backbone interact. energy: -1.495 local terms energy: -515.653689 where: bonds (distance) C4'-P energy: -89.160 bonds (distance) P-C4' energy: -110.445 flat angles C4'-P-C4' energy: -114.676 flat angles P-C4'-P energy: -65.589 tors. eta vs tors. theta energy: -135.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1434.451563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.451563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.451563 (E_RNA) where: Base-Base interactions energy: -969.095 where: short stacking energy: -412.276 Base-Backbone interact. energy: 2.798 local terms energy: -468.154930 where: bonds (distance) C4'-P energy: -87.504 bonds (distance) P-C4' energy: -110.033 flat angles C4'-P-C4' energy: -103.179 flat angles P-C4'-P energy: -62.428 tors. eta vs tors. theta energy: -105.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1133.720650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.720650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.720650 (E_RNA) where: Base-Base interactions energy: -736.602 where: short stacking energy: -318.633 Base-Backbone interact. energy: 0.668 local terms energy: -397.786321 where: bonds (distance) C4'-P energy: -85.104 bonds (distance) P-C4' energy: -102.570 flat angles C4'-P-C4' energy: -92.155 flat angles P-C4'-P energy: -56.788 tors. eta vs tors. theta energy: -61.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -900.491099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.491099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.491099 (E_RNA) where: Base-Base interactions energy: -510.628 where: short stacking energy: -256.080 Base-Backbone interact. energy: 0.079 local terms energy: -389.942224 where: bonds (distance) C4'-P energy: -101.593 bonds (distance) P-C4' energy: -90.214 flat angles C4'-P-C4' energy: -92.012 flat angles P-C4'-P energy: -60.743 tors. eta vs tors. theta energy: -45.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -719.300099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.300099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.300099 (E_RNA) where: Base-Base interactions energy: -397.428 where: short stacking energy: -228.718 Base-Backbone interact. energy: 3.114 local terms energy: -324.986291 where: bonds (distance) C4'-P energy: -80.379 bonds (distance) P-C4' energy: -78.020 flat angles C4'-P-C4' energy: -88.588 flat angles P-C4'-P energy: -45.351 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: 9, replica: 9 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -550.751639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.751639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.751639 (E_RNA) where: Base-Base interactions energy: -223.012 where: short stacking energy: -146.608 Base-Backbone interact. energy: -0.586 local terms energy: -327.153335 where: bonds (distance) C4'-P energy: -83.198 bonds (distance) P-C4' energy: -93.085 flat angles C4'-P-C4' energy: -91.092 flat angles P-C4'-P energy: -51.500 tors. eta vs tors. theta energy: -8.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -533.109834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.109834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.109834 (E_RNA) where: Base-Base interactions energy: -232.475 where: short stacking energy: -155.782 Base-Backbone interact. energy: -0.785 local terms energy: -299.849716 where: bonds (distance) C4'-P energy: -85.353 bonds (distance) P-C4' energy: -91.267 flat angles C4'-P-C4' energy: -77.588 flat angles P-C4'-P energy: -44.239 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1875.670126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.670126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.670126 (E_RNA) where: Base-Base interactions energy: -1279.938 where: short stacking energy: -573.255 Base-Backbone interact. energy: -1.896 local terms energy: -593.836044 where: bonds (distance) C4'-P energy: -103.481 bonds (distance) P-C4' energy: -108.487 flat angles C4'-P-C4' energy: -123.693 flat angles P-C4'-P energy: -86.500 tors. eta vs tors. theta energy: -171.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1808.711652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.711652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.711652 (E_RNA) where: Base-Base interactions energy: -1241.222 where: short stacking energy: -506.816 Base-Backbone interact. energy: -2.058 local terms energy: -565.432477 where: bonds (distance) C4'-P energy: -113.318 bonds (distance) P-C4' energy: -96.434 flat angles C4'-P-C4' energy: -120.879 flat angles P-C4'-P energy: -83.572 tors. eta vs tors. theta energy: -151.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1749.387161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.387161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.387161 (E_RNA) where: Base-Base interactions energy: -1219.726 where: short stacking energy: -512.555 Base-Backbone interact. energy: -3.053 local terms energy: -526.607814 where: bonds (distance) C4'-P energy: -90.054 bonds (distance) P-C4' energy: -95.309 flat angles C4'-P-C4' energy: -121.273 flat angles P-C4'-P energy: -72.470 tors. eta vs tors. theta energy: -147.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1586.121333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.121333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.121333 (E_RNA) where: Base-Base interactions energy: -1072.140 where: short stacking energy: -459.254 Base-Backbone interact. energy: -1.441 local terms energy: -512.540204 where: bonds (distance) C4'-P energy: -98.358 bonds (distance) P-C4' energy: -105.628 flat angles C4'-P-C4' energy: -118.520 flat angles P-C4'-P energy: -63.021 tors. eta vs tors. theta energy: -127.013 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: 470 Temperature: 1.100000 Total energy: -1430.955524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.955524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.955524 (E_RNA) where: Base-Base interactions energy: -923.671 where: short stacking energy: -383.449 Base-Backbone interact. energy: -1.006 local terms energy: -506.278609 where: bonds (distance) C4'-P energy: -99.596 bonds (distance) P-C4' energy: -115.893 flat angles C4'-P-C4' energy: -116.929 flat angles P-C4'-P energy: -70.129 tors. eta vs tors. theta energy: -103.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1132.519990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.519990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.519990 (E_RNA) where: Base-Base interactions energy: -704.242 where: short stacking energy: -324.507 Base-Backbone interact. energy: 4.778 local terms energy: -433.056652 where: bonds (distance) C4'-P energy: -104.571 bonds (distance) P-C4' energy: -112.736 flat angles C4'-P-C4' energy: -95.991 flat angles P-C4'-P energy: -60.522 tors. eta vs tors. theta energy: -59.236 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: 7, replica: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -948.193834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.193834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.193834 (E_RNA) where: Base-Base interactions energy: -593.534 where: short stacking energy: -270.579 Base-Backbone interact. energy: 4.783 local terms energy: -359.442127 where: bonds (distance) C4'-P energy: -91.945 bonds (distance) P-C4' energy: -91.621 flat angles C4'-P-C4' energy: -76.505 flat angles P-C4'-P energy: -55.069 tors. eta vs tors. theta energy: -44.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -765.277794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.277794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.277794 (E_RNA) where: Base-Base interactions energy: -399.315 where: short stacking energy: -237.040 Base-Backbone interact. energy: -1.326 local terms energy: -364.636548 where: bonds (distance) C4'-P energy: -89.444 bonds (distance) P-C4' energy: -98.478 flat angles C4'-P-C4' energy: -90.203 flat angles P-C4'-P energy: -51.209 tors. eta vs tors. theta energy: -35.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -560.508673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.508673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.508673 (E_RNA) where: Base-Base interactions energy: -254.578 where: short stacking energy: -165.104 Base-Backbone interact. energy: 0.849 local terms energy: -306.780096 where: bonds (distance) C4'-P energy: -86.935 bonds (distance) P-C4' energy: -106.260 flat angles C4'-P-C4' energy: -71.275 flat angles P-C4'-P energy: -46.508 tors. eta vs tors. theta energy: 4.197 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: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -521.196569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.196569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.196569 (E_RNA) where: Base-Base interactions energy: -219.902 where: short stacking energy: -131.434 Base-Backbone interact. energy: -1.792 local terms energy: -299.502597 where: bonds (distance) C4'-P energy: -88.548 bonds (distance) P-C4' energy: -94.581 flat angles C4'-P-C4' energy: -78.272 flat angles P-C4'-P energy: -50.308 tors. eta vs tors. theta energy: 12.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1867.359322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.359322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.359322 (E_RNA) where: Base-Base interactions energy: -1257.575 where: short stacking energy: -567.407 Base-Backbone interact. energy: -2.671 local terms energy: -607.113819 where: bonds (distance) C4'-P energy: -119.179 bonds (distance) P-C4' energy: -115.089 flat angles C4'-P-C4' energy: -127.482 flat angles P-C4'-P energy: -76.098 tors. eta vs tors. theta energy: -169.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1809.846735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.846735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.846735 (E_RNA) where: Base-Base interactions energy: -1242.665 where: short stacking energy: -520.709 Base-Backbone interact. energy: -7.676 local terms energy: -559.505978 where: bonds (distance) C4'-P energy: -106.238 bonds (distance) P-C4' energy: -98.284 flat angles C4'-P-C4' energy: -125.086 flat angles P-C4'-P energy: -74.514 tors. eta vs tors. theta energy: -155.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1739.537582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.537582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.537582 (E_RNA) where: Base-Base interactions energy: -1204.744 where: short stacking energy: -473.410 Base-Backbone interact. energy: -3.353 local terms energy: -531.440659 where: bonds (distance) C4'-P energy: -94.794 bonds (distance) P-C4' energy: -108.578 flat angles C4'-P-C4' energy: -111.037 flat angles P-C4'-P energy: -76.942 tors. eta vs tors. theta energy: -140.090 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: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1592.572449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.572449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.572449 (E_RNA) where: Base-Base interactions energy: -1047.236 where: short stacking energy: -447.235 Base-Backbone interact. energy: -0.699 local terms energy: -544.637395 where: bonds (distance) C4'-P energy: -106.792 bonds (distance) P-C4' energy: -107.413 flat angles C4'-P-C4' energy: -117.839 flat angles P-C4'-P energy: -76.943 tors. eta vs tors. theta energy: -135.650 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: 5, replica: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1384.211170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.211170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.211170 (E_RNA) where: Base-Base interactions energy: -905.560 where: short stacking energy: -386.813 Base-Backbone interact. energy: -2.065 local terms energy: -476.585984 where: bonds (distance) C4'-P energy: -95.379 bonds (distance) P-C4' energy: -94.261 flat angles C4'-P-C4' energy: -108.256 flat angles P-C4'-P energy: -78.527 tors. eta vs tors. theta energy: -100.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1075.501046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.501046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.501046 (E_RNA) where: Base-Base interactions energy: -674.739 where: short stacking energy: -305.788 Base-Backbone interact. energy: -0.799 local terms energy: -399.962877 where: bonds (distance) C4'-P energy: -99.517 bonds (distance) P-C4' energy: -89.037 flat angles C4'-P-C4' energy: -84.486 flat angles P-C4'-P energy: -59.379 tors. eta vs tors. theta energy: -67.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -980.186766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.186766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.186766 (E_RNA) where: Base-Base interactions energy: -547.361 where: short stacking energy: -258.784 Base-Backbone interact. energy: -0.290 local terms energy: -432.535663 where: bonds (distance) C4'-P energy: -105.982 bonds (distance) P-C4' energy: -106.548 flat angles C4'-P-C4' energy: -112.392 flat angles P-C4'-P energy: -55.731 tors. eta vs tors. theta energy: -51.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -774.295131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.295131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.295131 (E_RNA) where: Base-Base interactions energy: -425.678 where: short stacking energy: -227.060 Base-Backbone interact. energy: 1.399 local terms energy: -350.016125 where: bonds (distance) C4'-P energy: -82.286 bonds (distance) P-C4' energy: -84.002 flat angles C4'-P-C4' energy: -103.714 flat angles P-C4'-P energy: -49.400 tors. eta vs tors. theta energy: -30.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -569.607070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.607070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.607070 (E_RNA) where: Base-Base interactions energy: -244.883 where: short stacking energy: -143.324 Base-Backbone interact. energy: 2.605 local terms energy: -327.328906 where: bonds (distance) C4'-P energy: -85.798 bonds (distance) P-C4' energy: -104.105 flat angles C4'-P-C4' energy: -74.240 flat angles P-C4'-P energy: -66.123 tors. eta vs tors. theta energy: 2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -546.036987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.036987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.036987 (E_RNA) where: Base-Base interactions energy: -257.121 where: short stacking energy: -156.732 Base-Backbone interact. energy: -2.333 local terms energy: -286.582610 where: bonds (distance) C4'-P energy: -76.095 bonds (distance) P-C4' energy: -91.010 flat angles C4'-P-C4' energy: -76.080 flat angles P-C4'-P energy: -54.539 tors. eta vs tors. theta energy: 11.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1836.206808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.206808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.206808 (E_RNA) where: Base-Base interactions energy: -1245.161 where: short stacking energy: -558.140 Base-Backbone interact. energy: -1.034 local terms energy: -590.011540 where: bonds (distance) C4'-P energy: -120.311 bonds (distance) P-C4' energy: -106.616 flat angles C4'-P-C4' energy: -125.082 flat angles P-C4'-P energy: -73.166 tors. eta vs tors. theta energy: -164.837 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: 472 Temperature: 0.950000 Total energy: -1815.333008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.333008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.333008 (E_RNA) where: Base-Base interactions energy: -1260.055 where: short stacking energy: -516.062 Base-Backbone interact. energy: -1.767 local terms energy: -553.510924 where: bonds (distance) C4'-P energy: -104.090 bonds (distance) P-C4' energy: -112.083 flat angles C4'-P-C4' energy: -110.045 flat angles P-C4'-P energy: -76.977 tors. eta vs tors. theta energy: -150.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1770.517000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.517000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.517000 (E_RNA) where: Base-Base interactions energy: -1212.344 where: short stacking energy: -486.949 Base-Backbone interact. energy: -2.685 local terms energy: -555.487520 where: bonds (distance) C4'-P energy: -113.352 bonds (distance) P-C4' energy: -109.735 flat angles C4'-P-C4' energy: -116.495 flat angles P-C4'-P energy: -78.794 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: 4, replica: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1584.198276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.198276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.198276 (E_RNA) where: Base-Base interactions energy: -1053.843 where: short stacking energy: -473.865 Base-Backbone interact. energy: -1.452 local terms energy: -528.903017 where: bonds (distance) C4'-P energy: -84.450 bonds (distance) P-C4' energy: -107.166 flat angles C4'-P-C4' energy: -117.736 flat angles P-C4'-P energy: -73.117 tors. eta vs tors. theta energy: -146.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1443.930052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.930052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.930052 (E_RNA) where: Base-Base interactions energy: -967.065 where: short stacking energy: -420.997 Base-Backbone interact. energy: -1.696 local terms energy: -475.169349 where: bonds (distance) C4'-P energy: -96.479 bonds (distance) P-C4' energy: -103.204 flat angles C4'-P-C4' energy: -89.983 flat angles P-C4'-P energy: -73.047 tors. eta vs tors. theta energy: -112.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1079.757737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.757737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.757737 (E_RNA) where: Base-Base interactions energy: -638.909 where: short stacking energy: -296.369 Base-Backbone interact. energy: -2.607 local terms energy: -438.242079 where: bonds (distance) C4'-P energy: -101.728 bonds (distance) P-C4' energy: -99.274 flat angles C4'-P-C4' energy: -105.929 flat angles P-C4'-P energy: -54.783 tors. eta vs tors. theta energy: -76.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -892.015792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.015792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.015792 (E_RNA) where: Base-Base interactions energy: -517.546 where: short stacking energy: -246.089 Base-Backbone interact. energy: -0.899 local terms energy: -373.570374 where: bonds (distance) C4'-P energy: -90.997 bonds (distance) P-C4' energy: -77.073 flat angles C4'-P-C4' energy: -104.886 flat angles P-C4'-P energy: -64.092 tors. eta vs tors. theta energy: -36.523 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: 5 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -785.769095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.769095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.769095 (E_RNA) where: Base-Base interactions energy: -426.703 where: short stacking energy: -218.802 Base-Backbone interact. energy: 1.859 local terms energy: -360.925216 where: bonds (distance) C4'-P energy: -91.958 bonds (distance) P-C4' energy: -93.942 flat angles C4'-P-C4' energy: -90.117 flat angles P-C4'-P energy: -61.395 tors. eta vs tors. theta energy: -23.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -552.128070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.128070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.128070 (E_RNA) where: Base-Base interactions energy: -234.030 where: short stacking energy: -157.252 Base-Backbone interact. energy: 2.954 local terms energy: -321.052582 where: bonds (distance) C4'-P energy: -81.406 bonds (distance) P-C4' energy: -98.506 flat angles C4'-P-C4' energy: -93.050 flat angles P-C4'-P energy: -53.618 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: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -500.354164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.354164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.354164 (E_RNA) where: Base-Base interactions energy: -240.198 where: short stacking energy: -144.113 Base-Backbone interact. energy: -1.867 local terms energy: -258.289553 where: bonds (distance) C4'-P energy: -72.601 bonds (distance) P-C4' energy: -97.279 flat angles C4'-P-C4' energy: -70.826 flat angles P-C4'-P energy: -43.621 tors. eta vs tors. theta energy: 26.038 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: 473 Temperature: 0.900000 Total energy: -1864.146423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.146423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.146423 (E_RNA) where: Base-Base interactions energy: -1273.150 where: short stacking energy: -568.695 Base-Backbone interact. energy: -1.216 local terms energy: -589.780828 where: bonds (distance) C4'-P energy: -108.259 bonds (distance) P-C4' energy: -92.370 flat angles C4'-P-C4' energy: -130.762 flat angles P-C4'-P energy: -93.487 tors. eta vs tors. theta energy: -164.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1790.214663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.214663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.214663 (E_RNA) where: Base-Base interactions energy: -1216.919 where: short stacking energy: -505.697 Base-Backbone interact. energy: -1.459 local terms energy: -571.835862 where: bonds (distance) C4'-P energy: -102.617 bonds (distance) P-C4' energy: -119.262 flat angles C4'-P-C4' energy: -126.101 flat angles P-C4'-P energy: -75.369 tors. eta vs tors. theta energy: -148.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1753.386472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.386472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.386472 (E_RNA) where: Base-Base interactions energy: -1225.933 where: short stacking energy: -484.760 Base-Backbone interact. energy: -1.680 local terms energy: -525.773742 where: bonds (distance) C4'-P energy: -108.639 bonds (distance) P-C4' energy: -89.131 flat angles C4'-P-C4' energy: -100.815 flat angles P-C4'-P energy: -89.406 tors. eta vs tors. theta energy: -137.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1482.670236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.670236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.670236 (E_RNA) where: Base-Base interactions energy: -974.884 where: short stacking energy: -440.550 Base-Backbone interact. energy: -2.670 local terms energy: -505.116827 where: bonds (distance) C4'-P energy: -112.607 bonds (distance) P-C4' energy: -92.414 flat angles C4'-P-C4' energy: -104.946 flat angles P-C4'-P energy: -74.313 tors. eta vs tors. theta energy: -120.836 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: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1470.155548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.155548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.155548 (E_RNA) where: Base-Base interactions energy: -959.557 where: short stacking energy: -410.582 Base-Backbone interact. energy: -1.254 local terms energy: -509.344061 where: bonds (distance) C4'-P energy: -104.685 bonds (distance) P-C4' energy: -116.775 flat angles C4'-P-C4' energy: -116.401 flat angles P-C4'-P energy: -61.275 tors. eta vs tors. theta energy: -110.207 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: 2 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1092.158181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.158181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.158181 (E_RNA) where: Base-Base interactions energy: -673.627 where: short stacking energy: -310.621 Base-Backbone interact. energy: -1.750 local terms energy: -416.781686 where: bonds (distance) C4'-P energy: -107.169 bonds (distance) P-C4' energy: -101.278 flat angles C4'-P-C4' energy: -81.483 flat angles P-C4'-P energy: -69.605 tors. eta vs tors. theta energy: -57.247 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: 10 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1000.469535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.469535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.469535 (E_RNA) where: Base-Base interactions energy: -604.108 where: short stacking energy: -285.750 Base-Backbone interact. energy: -2.228 local terms energy: -394.133022 where: bonds (distance) C4'-P energy: -81.504 bonds (distance) P-C4' energy: -92.984 flat angles C4'-P-C4' energy: -99.245 flat angles P-C4'-P energy: -64.613 tors. eta vs tors. theta energy: -55.787 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: 8, replica: 5 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -760.458212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.458212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.458212 (E_RNA) where: Base-Base interactions energy: -395.691 where: short stacking energy: -213.535 Base-Backbone interact. energy: 0.904 local terms energy: -365.672019 where: bonds (distance) C4'-P energy: -96.034 bonds (distance) P-C4' energy: -105.537 flat angles C4'-P-C4' energy: -80.611 flat angles P-C4'-P energy: -57.984 tors. eta vs tors. theta energy: -25.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -536.205406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.205406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.205406 (E_RNA) where: Base-Base interactions energy: -201.565 where: short stacking energy: -124.665 Base-Backbone interact. energy: -0.133 local terms energy: -334.507883 where: bonds (distance) C4'-P energy: -102.184 bonds (distance) P-C4' energy: -97.692 flat angles C4'-P-C4' energy: -85.552 flat angles P-C4'-P energy: -62.641 tors. eta vs tors. theta energy: 13.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -550.916541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.916541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.916541 (E_RNA) where: Base-Base interactions energy: -264.939 where: short stacking energy: -148.264 Base-Backbone interact. energy: -0.345 local terms energy: -285.633275 where: bonds (distance) C4'-P energy: -79.263 bonds (distance) P-C4' energy: -100.860 flat angles C4'-P-C4' energy: -73.634 flat angles P-C4'-P energy: -48.594 tors. eta vs tors. theta energy: 16.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1814.045058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.045058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.045058 (E_RNA) where: Base-Base interactions energy: -1235.617 where: short stacking energy: -526.412 Base-Backbone interact. energy: -2.011 local terms energy: -576.417064 where: bonds (distance) C4'-P energy: -100.873 bonds (distance) P-C4' energy: -109.509 flat angles C4'-P-C4' energy: -116.248 flat angles P-C4'-P energy: -93.365 tors. eta vs tors. theta energy: -156.421 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: 474 Temperature: 0.950000 Total energy: -1820.067780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.067780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.067780 (E_RNA) where: Base-Base interactions energy: -1234.237 where: short stacking energy: -528.640 Base-Backbone interact. energy: -1.245 local terms energy: -584.585529 where: bonds (distance) C4'-P energy: -103.354 bonds (distance) P-C4' energy: -108.787 flat angles C4'-P-C4' energy: -124.540 flat angles P-C4'-P energy: -78.109 tors. eta vs tors. theta energy: -169.794 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: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1763.105405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.105405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.105405 (E_RNA) where: Base-Base interactions energy: -1192.112 where: short stacking energy: -485.296 Base-Backbone interact. energy: -1.609 local terms energy: -569.384477 where: bonds (distance) C4'-P energy: -108.202 bonds (distance) P-C4' energy: -113.097 flat angles C4'-P-C4' energy: -125.853 flat angles P-C4'-P energy: -73.160 tors. eta vs tors. theta energy: -149.072 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: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1511.844211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.844211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.844211 (E_RNA) where: Base-Base interactions energy: -984.009 where: short stacking energy: -467.085 Base-Backbone interact. energy: 6.000 local terms energy: -533.834716 where: bonds (distance) C4'-P energy: -120.921 bonds (distance) P-C4' energy: -98.602 flat angles C4'-P-C4' energy: -114.184 flat angles P-C4'-P energy: -73.929 tors. eta vs tors. theta energy: -126.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1486.967443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.967443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.967443 (E_RNA) where: Base-Base interactions energy: -1003.648 where: short stacking energy: -439.512 Base-Backbone interact. energy: 0.541 local terms energy: -483.860655 where: bonds (distance) C4'-P energy: -101.325 bonds (distance) P-C4' energy: -87.944 flat angles C4'-P-C4' energy: -103.144 flat angles P-C4'-P energy: -63.569 tors. eta vs tors. theta energy: -127.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1142.126044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.126044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.126044 (E_RNA) where: Base-Base interactions energy: -714.254 where: short stacking energy: -299.887 Base-Backbone interact. energy: -1.739 local terms energy: -426.132884 where: bonds (distance) C4'-P energy: -99.787 bonds (distance) P-C4' energy: -81.472 flat angles C4'-P-C4' energy: -104.864 flat angles P-C4'-P energy: -69.834 tors. eta vs tors. theta energy: -70.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -999.167830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.167830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.167830 (E_RNA) where: Base-Base interactions energy: -609.775 where: short stacking energy: -284.398 Base-Backbone interact. energy: -1.701 local terms energy: -387.692293 where: bonds (distance) C4'-P energy: -97.222 bonds (distance) P-C4' energy: -92.201 flat angles C4'-P-C4' energy: -84.847 flat angles P-C4'-P energy: -61.333 tors. eta vs tors. theta energy: -52.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -798.654607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.654607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.654607 (E_RNA) where: Base-Base interactions energy: -444.804 where: short stacking energy: -229.649 Base-Backbone interact. energy: -3.593 local terms energy: -350.257113 where: bonds (distance) C4'-P energy: -89.890 bonds (distance) P-C4' energy: -102.806 flat angles C4'-P-C4' energy: -93.360 flat angles P-C4'-P energy: -47.825 tors. eta vs tors. theta energy: -16.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -553.445067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.445067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.445067 (E_RNA) where: Base-Base interactions energy: -259.003 where: short stacking energy: -155.291 Base-Backbone interact. energy: 1.997 local terms energy: -296.438699 where: bonds (distance) C4'-P energy: -101.395 bonds (distance) P-C4' energy: -72.613 flat angles C4'-P-C4' energy: -85.659 flat angles P-C4'-P energy: -40.004 tors. eta vs tors. theta energy: 3.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -495.549761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.549761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.549761 (E_RNA) where: Base-Base interactions energy: -199.895 where: short stacking energy: -124.222 Base-Backbone interact. energy: 1.683 local terms energy: -297.338046 where: bonds (distance) C4'-P energy: -80.378 bonds (distance) P-C4' energy: -96.589 flat angles C4'-P-C4' energy: -76.599 flat angles P-C4'-P energy: -50.061 tors. eta vs tors. theta energy: 6.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1811.385582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.385582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.385582 (E_RNA) where: Base-Base interactions energy: -1223.645 where: short stacking energy: -533.024 Base-Backbone interact. energy: -6.792 local terms energy: -580.948352 where: bonds (distance) C4'-P energy: -113.587 bonds (distance) P-C4' energy: -121.606 flat angles C4'-P-C4' energy: -124.601 flat angles P-C4'-P energy: -73.162 tors. eta vs tors. theta energy: -147.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1821.871722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.871722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.871722 (E_RNA) where: Base-Base interactions energy: -1252.116 where: short stacking energy: -549.088 Base-Backbone interact. energy: -3.197 local terms energy: -566.559621 where: bonds (distance) C4'-P energy: -91.951 bonds (distance) P-C4' energy: -116.539 flat angles C4'-P-C4' energy: -119.483 flat angles P-C4'-P energy: -73.319 tors. eta vs tors. theta energy: -165.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1717.512498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.512498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.512498 (E_RNA) where: Base-Base interactions energy: -1195.789 where: short stacking energy: -477.758 Base-Backbone interact. energy: 0.951 local terms energy: -522.674843 where: bonds (distance) C4'-P energy: -95.411 bonds (distance) P-C4' energy: -105.544 flat angles C4'-P-C4' energy: -110.344 flat angles P-C4'-P energy: -74.050 tors. eta vs tors. theta energy: -137.326 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: 4, replica: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1487.868566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.868566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.868566 (E_RNA) where: Base-Base interactions energy: -964.600 where: short stacking energy: -426.083 Base-Backbone interact. energy: -1.364 local terms energy: -521.904767 where: bonds (distance) C4'-P energy: -108.259 bonds (distance) P-C4' energy: -119.113 flat angles C4'-P-C4' energy: -121.151 flat angles P-C4'-P energy: -71.729 tors. eta vs tors. theta energy: -101.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1451.671923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.671923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.671923 (E_RNA) where: Base-Base interactions energy: -976.516 where: short stacking energy: -416.079 Base-Backbone interact. energy: 0.525 local terms energy: -475.681110 where: bonds (distance) C4'-P energy: -105.455 bonds (distance) P-C4' energy: -84.574 flat angles C4'-P-C4' energy: -102.887 flat angles P-C4'-P energy: -57.485 tors. eta vs tors. theta energy: -125.280 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: 2 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1170.834657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.834657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.834657 (E_RNA) where: Base-Base interactions energy: -738.520 where: short stacking energy: -336.713 Base-Backbone interact. energy: -0.273 local terms energy: -432.042408 where: bonds (distance) C4'-P energy: -84.416 bonds (distance) P-C4' energy: -86.865 flat angles C4'-P-C4' energy: -116.243 flat angles P-C4'-P energy: -62.561 tors. eta vs tors. theta energy: -81.956 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: 10 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -978.414695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.414695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.414695 (E_RNA) where: Base-Base interactions energy: -591.106 where: short stacking energy: -271.479 Base-Backbone interact. energy: -1.969 local terms energy: -385.340311 where: bonds (distance) C4'-P energy: -93.535 bonds (distance) P-C4' energy: -105.527 flat angles C4'-P-C4' energy: -103.369 flat angles P-C4'-P energy: -54.990 tors. eta vs tors. theta energy: -27.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -831.171904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.171904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.171904 (E_RNA) where: Base-Base interactions energy: -486.635 where: short stacking energy: -256.244 Base-Backbone interact. energy: 0.760 local terms energy: -345.296399 where: bonds (distance) C4'-P energy: -87.680 bonds (distance) P-C4' energy: -85.945 flat angles C4'-P-C4' energy: -68.546 flat angles P-C4'-P energy: -57.215 tors. eta vs tors. theta energy: -45.910 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: 4 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -567.662610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.662610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.662610 (E_RNA) where: Base-Base interactions energy: -253.420 where: short stacking energy: -176.467 Base-Backbone interact. energy: 3.108 local terms energy: -317.349776 where: bonds (distance) C4'-P energy: -89.839 bonds (distance) P-C4' energy: -97.066 flat angles C4'-P-C4' energy: -72.018 flat angles P-C4'-P energy: -44.677 tors. eta vs tors. theta energy: -13.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -499.031923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.031923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.031923 (E_RNA) where: Base-Base interactions energy: -213.629 where: short stacking energy: -154.837 Base-Backbone interact. energy: 2.468 local terms energy: -287.871215 where: bonds (distance) C4'-P energy: -90.386 bonds (distance) P-C4' energy: -95.253 flat angles C4'-P-C4' energy: -68.807 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: 16.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/TEST-f264c14d_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE