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/R4-dc44a179/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R4-dc44a179/inputs/seq.fa: 1 curr_seq: _GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/R4-dc44a179/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R4-dc44a179/inputs/seq.fa: 1 curr_seq: _GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/R4-dc44a179/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R4-dc44a179/inputs/seq.fa: 1 curr_seq: _GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/R4-dc44a179/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R4-dc44a179/inputs/seq.fa: 1 curr_seq: _GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/R4-dc44a179/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R4-dc44a179/inputs/seq.fa: 1 curr_seq: _GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/R4-dc44a179/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R4-dc44a179/inputs/seq.fa: 1 curr_seq: _GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/R4-dc44a179/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R4-dc44a179/inputs/seq.fa: 1 curr_seq: _GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/R4-dc44a179/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R4-dc44a179/inputs/seq.fa: 1 curr_seq: _GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/R4-dc44a179/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R4-dc44a179/inputs/seq.fa: 1 curr_seq: _GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/R4-dc44a179/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R4-dc44a179/inputs/seq.fa: 1 curr_seq: _GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GCCGGUGGCAAGUGCAUACAUCGACAACGAAUACCGCUGACUCCCCAAGGAAGUAAGGAUUUGUCCUGAAGCAAGUUGGGGAAAGGAAAAAAAACAACAAAUAAGAACAAAAAAAAUAGAGAAAGAAACUGCUAAGACAAGACAAGAAUGGCAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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: -622.964226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964226 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -622.964226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964226 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -622.964226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964226 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -622.964226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964226 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -622.964226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964226 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -622.964226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964226 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -622.964226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964226 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -622.964226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964226 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -622.964226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964226 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -622.964226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.964226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.964226 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -780.165224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.165224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.165224 (E_RNA) where: Base-Base interactions energy: -339.547 where: short stacking energy: -320.248 Base-Backbone interact. energy: -0.243 local terms energy: -440.375236 where: bonds (distance) C4'-P energy: -101.601 bonds (distance) P-C4' energy: -109.837 flat angles C4'-P-C4' energy: -96.383 flat angles P-C4'-P energy: -46.718 tors. eta vs tors. theta energy: -85.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -725.648426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.648426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.648426 (E_RNA) where: Base-Base interactions energy: -291.250 where: short stacking energy: -291.250 Base-Backbone interact. energy: -0.089 local terms energy: -434.309468 where: bonds (distance) C4'-P energy: -102.354 bonds (distance) P-C4' energy: -99.932 flat angles C4'-P-C4' energy: -97.432 flat angles P-C4'-P energy: -59.122 tors. eta vs tors. theta energy: -75.470 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -666.732086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.732086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.732086 (E_RNA) where: Base-Base interactions energy: -265.682 where: short stacking energy: -252.152 Base-Backbone interact. energy: -0.659 local terms energy: -400.390816 where: bonds (distance) C4'-P energy: -91.279 bonds (distance) P-C4' energy: -109.715 flat angles C4'-P-C4' energy: -95.752 flat angles P-C4'-P energy: -58.024 tors. eta vs tors. theta energy: -45.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -622.967024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.967024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.967024 (E_RNA) where: Base-Base interactions energy: -26.052 where: short stacking energy: -26.052 Base-Backbone interact. energy: -0.000 local terms energy: -596.914534 where: bonds (distance) C4'-P energy: -149.052 bonds (distance) P-C4' energy: -137.467 flat angles C4'-P-C4' energy: -111.879 flat angles P-C4'-P energy: -128.588 tors. eta vs tors. theta energy: -69.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -628.125993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.125993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.125993 (E_RNA) where: Base-Base interactions energy: -50.380 where: short stacking energy: -50.380 Base-Backbone interact. energy: -0.000 local terms energy: -577.745430 where: bonds (distance) C4'-P energy: -135.330 bonds (distance) P-C4' energy: -129.212 flat angles C4'-P-C4' energy: -114.701 flat angles P-C4'-P energy: -124.827 tors. eta vs tors. theta energy: -73.675 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: 2 Temperature: 1.150000 Total energy: -626.733728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.733728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.733728 (E_RNA) where: Base-Base interactions energy: -29.213 where: short stacking energy: -29.213 Base-Backbone interact. energy: -0.000 local terms energy: -597.520900 where: bonds (distance) C4'-P energy: -148.198 bonds (distance) P-C4' energy: -137.964 flat angles C4'-P-C4' energy: -112.510 flat angles P-C4'-P energy: -129.032 tors. eta vs tors. theta energy: -69.817 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -637.617495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.617495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.617495 (E_RNA) where: Base-Base interactions energy: -73.242 where: short stacking energy: -73.242 Base-Backbone interact. energy: -0.000 local terms energy: -564.374894 where: bonds (distance) C4'-P energy: -131.163 bonds (distance) P-C4' energy: -119.157 flat angles C4'-P-C4' energy: -115.019 flat angles P-C4'-P energy: -124.801 tors. eta vs tors. theta energy: -74.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -626.643524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.643524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.643524 (E_RNA) where: Base-Base interactions energy: -29.277 where: short stacking energy: -29.277 Base-Backbone interact. energy: -0.000 local terms energy: -597.366207 where: bonds (distance) C4'-P energy: -147.975 bonds (distance) P-C4' energy: -137.957 flat angles C4'-P-C4' energy: -112.457 flat angles P-C4'-P energy: -128.939 tors. eta vs tors. theta energy: -70.038 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: 2 Temperature: 1.300000 Total energy: -626.643594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.643594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.643594 (E_RNA) where: Base-Base interactions energy: -29.277 where: short stacking energy: -29.277 Base-Backbone interact. energy: -0.000 local terms energy: -597.366207 where: bonds (distance) C4'-P energy: -147.975 bonds (distance) P-C4' energy: -137.957 flat angles C4'-P-C4' energy: -112.457 flat angles P-C4'-P energy: -128.939 tors. eta vs tors. theta energy: -70.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -622.373159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.373159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.373159 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.000 local terms energy: -598.916110 where: bonds (distance) C4'-P energy: -149.507 bonds (distance) P-C4' energy: -138.664 flat angles C4'-P-C4' energy: -112.486 flat angles P-C4'-P energy: -129.304 tors. eta vs tors. theta energy: -68.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -806.394420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.394420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.394420 (E_RNA) where: Base-Base interactions energy: -376.047 where: short stacking energy: -368.969 Base-Backbone interact. energy: 1.314 local terms energy: -431.660748 where: bonds (distance) C4'-P energy: -84.631 bonds (distance) P-C4' energy: -97.131 flat angles C4'-P-C4' energy: -90.169 flat angles P-C4'-P energy: -71.608 tors. eta vs tors. theta energy: -88.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -789.988576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.988576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.988576 (E_RNA) where: Base-Base interactions energy: -365.853 where: short stacking energy: -338.856 Base-Backbone interact. energy: -1.116 local terms energy: -423.019193 where: bonds (distance) C4'-P energy: -99.053 bonds (distance) P-C4' energy: -89.291 flat angles C4'-P-C4' energy: -87.726 flat angles P-C4'-P energy: -69.903 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: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -681.683516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.683516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.683516 (E_RNA) where: Base-Base interactions energy: -289.511 where: short stacking energy: -272.165 Base-Backbone interact. energy: -2.259 local terms energy: -389.913445 where: bonds (distance) C4'-P energy: -86.195 bonds (distance) P-C4' energy: -94.008 flat angles C4'-P-C4' energy: -94.968 flat angles P-C4'-P energy: -56.695 tors. eta vs tors. theta energy: -58.048 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -633.514101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.514101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.514101 (E_RNA) where: Base-Base interactions energy: -262.210 where: short stacking energy: -217.602 Base-Backbone interact. energy: -1.052 local terms energy: -370.252452 where: bonds (distance) C4'-P energy: -104.210 bonds (distance) P-C4' energy: -88.656 flat angles C4'-P-C4' energy: -90.757 flat angles P-C4'-P energy: -47.125 tors. eta vs tors. theta energy: -39.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -570.766961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.766961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.766961 (E_RNA) where: Base-Base interactions energy: -235.053 where: short stacking energy: -230.275 Base-Backbone interact. energy: 1.954 local terms energy: -337.668055 where: bonds (distance) C4'-P energy: -66.539 bonds (distance) P-C4' energy: -91.442 flat angles C4'-P-C4' energy: -80.002 flat angles P-C4'-P energy: -54.209 tors. eta vs tors. theta energy: -45.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -555.128966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.128966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.128966 (E_RNA) where: Base-Base interactions energy: -216.758 where: short stacking energy: -198.836 Base-Backbone interact. energy: -1.365 local terms energy: -337.005675 where: bonds (distance) C4'-P energy: -87.830 bonds (distance) P-C4' energy: -74.880 flat angles C4'-P-C4' energy: -82.487 flat angles P-C4'-P energy: -52.738 tors. eta vs tors. theta energy: -39.070 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -529.439963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.439963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.439963 (E_RNA) where: Base-Base interactions energy: -189.751 where: short stacking energy: -140.044 Base-Backbone interact. energy: -0.642 local terms energy: -339.046895 where: bonds (distance) C4'-P energy: -80.481 bonds (distance) P-C4' energy: -95.053 flat angles C4'-P-C4' energy: -89.833 flat angles P-C4'-P energy: -53.713 tors. eta vs tors. theta energy: -19.966 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -494.039359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.039359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.039359 (E_RNA) where: Base-Base interactions energy: -193.619 where: short stacking energy: -128.837 Base-Backbone interact. energy: -1.451 local terms energy: -298.968991 where: bonds (distance) C4'-P energy: -86.713 bonds (distance) P-C4' energy: -99.909 flat angles C4'-P-C4' energy: -72.294 flat angles P-C4'-P energy: -39.581 tors. eta vs tors. theta energy: -0.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -427.628400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.628400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.628400 (E_RNA) where: Base-Base interactions energy: -162.525 where: short stacking energy: -141.587 Base-Backbone interact. energy: -1.586 local terms energy: -263.517710 where: bonds (distance) C4'-P energy: -61.408 bonds (distance) P-C4' energy: -77.822 flat angles C4'-P-C4' energy: -70.752 flat angles P-C4'-P energy: -49.961 tors. eta vs tors. theta energy: -3.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -384.021721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.021721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.021721 (E_RNA) where: Base-Base interactions energy: -158.839 where: short stacking energy: -112.701 Base-Backbone interact. energy: -5.325 local terms energy: -219.857191 where: bonds (distance) C4'-P energy: -77.947 bonds (distance) P-C4' energy: -78.404 flat angles C4'-P-C4' energy: -45.178 flat angles P-C4'-P energy: -44.177 tors. eta vs tors. theta energy: 25.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -862.878118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.878118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.878118 (E_RNA) where: Base-Base interactions energy: -412.380 where: short stacking energy: -333.348 Base-Backbone interact. energy: 0.622 local terms energy: -451.121005 where: bonds (distance) C4'-P energy: -87.365 bonds (distance) P-C4' energy: -103.976 flat angles C4'-P-C4' energy: -100.679 flat angles P-C4'-P energy: -83.072 tors. eta vs tors. theta energy: -76.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -827.035594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.035594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.035594 (E_RNA) where: Base-Base interactions energy: -412.613 where: short stacking energy: -301.173 Base-Backbone interact. energy: -0.952 local terms energy: -413.470947 where: bonds (distance) C4'-P energy: -99.098 bonds (distance) P-C4' energy: -93.338 flat angles C4'-P-C4' energy: -96.128 flat angles P-C4'-P energy: -56.251 tors. eta vs tors. theta energy: -68.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -739.669546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.669546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.669546 (E_RNA) where: Base-Base interactions energy: -358.932 where: short stacking energy: -276.825 Base-Backbone interact. energy: 1.302 local terms energy: -382.039962 where: bonds (distance) C4'-P energy: -91.697 bonds (distance) P-C4' energy: -80.252 flat angles C4'-P-C4' energy: -92.270 flat angles P-C4'-P energy: -66.954 tors. eta vs tors. theta energy: -50.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -649.316773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.316773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.316773 (E_RNA) where: Base-Base interactions energy: -291.529 where: short stacking energy: -227.027 Base-Backbone interact. energy: 0.881 local terms energy: -358.669027 where: bonds (distance) C4'-P energy: -76.804 bonds (distance) P-C4' energy: -99.370 flat angles C4'-P-C4' energy: -97.817 flat angles P-C4'-P energy: -57.983 tors. eta vs tors. theta energy: -26.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -685.271128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.271128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.271128 (E_RNA) where: Base-Base interactions energy: -326.465 where: short stacking energy: -249.985 Base-Backbone interact. energy: -0.312 local terms energy: -358.494675 where: bonds (distance) C4'-P energy: -88.624 bonds (distance) P-C4' energy: -94.016 flat angles C4'-P-C4' energy: -81.175 flat angles P-C4'-P energy: -56.686 tors. eta vs tors. theta energy: -37.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -543.564559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.564559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.564559 (E_RNA) where: Base-Base interactions energy: -212.636 where: short stacking energy: -173.113 Base-Backbone interact. energy: 1.894 local terms energy: -332.822439 where: bonds (distance) C4'-P energy: -94.361 bonds (distance) P-C4' energy: -93.239 flat angles C4'-P-C4' energy: -79.797 flat angles P-C4'-P energy: -43.568 tors. eta vs tors. theta energy: -21.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -501.757741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.757741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.757741 (E_RNA) where: Base-Base interactions energy: -193.227 where: short stacking energy: -151.502 Base-Backbone interact. energy: -0.540 local terms energy: -307.991393 where: bonds (distance) C4'-P energy: -88.138 bonds (distance) P-C4' energy: -78.001 flat angles C4'-P-C4' energy: -92.579 flat angles P-C4'-P energy: -47.379 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -497.359948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.359948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.359948 (E_RNA) where: Base-Base interactions energy: -213.504 where: short stacking energy: -180.268 Base-Backbone interact. energy: -1.654 local terms energy: -282.202914 where: bonds (distance) C4'-P energy: -75.237 bonds (distance) P-C4' energy: -84.525 flat angles C4'-P-C4' energy: -73.073 flat angles P-C4'-P energy: -38.047 tors. eta vs tors. theta energy: -11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -423.018470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.018470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.018470 (E_RNA) where: Base-Base interactions energy: -142.793 where: short stacking energy: -139.060 Base-Backbone interact. energy: 5.876 local terms energy: -286.101742 where: bonds (distance) C4'-P energy: -77.159 bonds (distance) P-C4' energy: -94.752 flat angles C4'-P-C4' energy: -78.491 flat angles P-C4'-P energy: -30.404 tors. eta vs tors. theta energy: -5.295 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: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -434.828886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.828886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.828886 (E_RNA) where: Base-Base interactions energy: -195.559 where: short stacking energy: -138.591 Base-Backbone interact. energy: 0.145 local terms energy: -239.414754 where: bonds (distance) C4'-P energy: -70.017 bonds (distance) P-C4' energy: -94.148 flat angles C4'-P-C4' energy: -61.295 flat angles P-C4'-P energy: -27.510 tors. eta vs tors. theta energy: 13.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -877.079235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.079235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.079235 (E_RNA) where: Base-Base interactions energy: -428.810 where: short stacking energy: -347.046 Base-Backbone interact. energy: -1.686 local terms energy: -446.583298 where: bonds (distance) C4'-P energy: -91.192 bonds (distance) P-C4' energy: -101.887 flat angles C4'-P-C4' energy: -104.742 flat angles P-C4'-P energy: -64.020 tors. eta vs tors. theta energy: -84.743 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: 5 Temperature: 0.950000 Total energy: -889.156255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.156255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.156255 (E_RNA) where: Base-Base interactions energy: -450.721 where: short stacking energy: -331.246 Base-Backbone interact. energy: -2.100 local terms energy: -436.334639 where: bonds (distance) C4'-P energy: -96.310 bonds (distance) P-C4' energy: -102.090 flat angles C4'-P-C4' energy: -92.734 flat angles P-C4'-P energy: -64.480 tors. eta vs tors. theta energy: -80.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -756.736314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.736314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.736314 (E_RNA) where: Base-Base interactions energy: -363.668 where: short stacking energy: -268.874 Base-Backbone interact. energy: -0.099 local terms energy: -392.968993 where: bonds (distance) C4'-P energy: -92.127 bonds (distance) P-C4' energy: -91.588 flat angles C4'-P-C4' energy: -91.551 flat angles P-C4'-P energy: -55.231 tors. eta vs tors. theta energy: -62.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -769.257392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.257392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.257392 (E_RNA) where: Base-Base interactions energy: -400.306 where: short stacking energy: -245.365 Base-Backbone interact. energy: -2.603 local terms energy: -366.348064 where: bonds (distance) C4'-P energy: -91.985 bonds (distance) P-C4' energy: -72.316 flat angles C4'-P-C4' energy: -95.333 flat angles P-C4'-P energy: -57.286 tors. eta vs tors. theta energy: -49.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -600.091449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.091449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.091449 (E_RNA) where: Base-Base interactions energy: -234.819 where: short stacking energy: -212.626 Base-Backbone interact. energy: -1.027 local terms energy: -364.244845 where: bonds (distance) C4'-P energy: -88.046 bonds (distance) P-C4' energy: -83.347 flat angles C4'-P-C4' energy: -92.206 flat angles P-C4'-P energy: -66.186 tors. eta vs tors. theta energy: -34.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -555.249134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.249134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.249134 (E_RNA) where: Base-Base interactions energy: -253.701 where: short stacking energy: -176.870 Base-Backbone interact. energy: -0.049 local terms energy: -301.498684 where: bonds (distance) C4'-P energy: -67.702 bonds (distance) P-C4' energy: -91.927 flat angles C4'-P-C4' energy: -71.769 flat angles P-C4'-P energy: -49.756 tors. eta vs tors. theta energy: -20.345 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: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -537.813283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.813283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.813283 (E_RNA) where: Base-Base interactions energy: -234.501 where: short stacking energy: -200.680 Base-Backbone interact. energy: 3.544 local terms energy: -306.856100 where: bonds (distance) C4'-P energy: -79.796 bonds (distance) P-C4' energy: -87.808 flat angles C4'-P-C4' energy: -72.025 flat angles P-C4'-P energy: -38.970 tors. eta vs tors. theta energy: -28.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -451.675676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.675676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.675676 (E_RNA) where: Base-Base interactions energy: -173.924 where: short stacking energy: -121.422 Base-Backbone interact. energy: -2.524 local terms energy: -275.227285 where: bonds (distance) C4'-P energy: -89.745 bonds (distance) P-C4' energy: -83.581 flat angles C4'-P-C4' energy: -68.117 flat angles P-C4'-P energy: -44.314 tors. eta vs tors. theta energy: 10.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -426.827415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.827415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.827415 (E_RNA) where: Base-Base interactions energy: -176.289 where: short stacking energy: -136.281 Base-Backbone interact. energy: -1.346 local terms energy: -249.192208 where: bonds (distance) C4'-P energy: -64.379 bonds (distance) P-C4' energy: -79.826 flat angles C4'-P-C4' energy: -74.419 flat angles P-C4'-P energy: -37.009 tors. eta vs tors. theta energy: 6.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -452.503122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.503122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.503122 (E_RNA) where: Base-Base interactions energy: -200.312 where: short stacking energy: -134.831 Base-Backbone interact. energy: 1.914 local terms energy: -254.105395 where: bonds (distance) C4'-P energy: -74.380 bonds (distance) P-C4' energy: -90.910 flat angles C4'-P-C4' energy: -66.048 flat angles P-C4'-P energy: -45.482 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -911.276409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.276409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.276409 (E_RNA) where: Base-Base interactions energy: -476.555 where: short stacking energy: -359.794 Base-Backbone interact. energy: -2.055 local terms energy: -432.666448 where: bonds (distance) C4'-P energy: -96.492 bonds (distance) P-C4' energy: -102.423 flat angles C4'-P-C4' energy: -94.281 flat angles P-C4'-P energy: -64.213 tors. eta vs tors. theta energy: -75.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -893.364322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.364322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.364322 (E_RNA) where: Base-Base interactions energy: -478.594 where: short stacking energy: -328.836 Base-Backbone interact. energy: -0.644 local terms energy: -414.125777 where: bonds (distance) C4'-P energy: -90.294 bonds (distance) P-C4' energy: -98.017 flat angles C4'-P-C4' energy: -89.057 flat angles P-C4'-P energy: -72.853 tors. eta vs tors. theta energy: -63.904 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: 3, replica: 6 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -869.098179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.098179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.098179 (E_RNA) where: Base-Base interactions energy: -467.246 where: short stacking energy: -278.626 Base-Backbone interact. energy: 0.416 local terms energy: -402.268632 where: bonds (distance) C4'-P energy: -83.062 bonds (distance) P-C4' energy: -89.900 flat angles C4'-P-C4' energy: -106.780 flat angles P-C4'-P energy: -71.394 tors. eta vs tors. theta energy: -51.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -691.653385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.653385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.653385 (E_RNA) where: Base-Base interactions energy: -320.903 where: short stacking energy: -225.975 Base-Backbone interact. energy: -0.077 local terms energy: -370.673167 where: bonds (distance) C4'-P energy: -82.964 bonds (distance) P-C4' energy: -87.558 flat angles C4'-P-C4' energy: -97.695 flat angles P-C4'-P energy: -65.416 tors. eta vs tors. theta energy: -37.040 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: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -600.998913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.998913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.998913 (E_RNA) where: Base-Base interactions energy: -248.925 where: short stacking energy: -219.109 Base-Backbone interact. energy: 1.571 local terms energy: -353.645865 where: bonds (distance) C4'-P energy: -75.922 bonds (distance) P-C4' energy: -90.620 flat angles C4'-P-C4' energy: -91.065 flat angles P-C4'-P energy: -56.952 tors. eta vs tors. theta energy: -39.087 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: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -576.296166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.296166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.296166 (E_RNA) where: Base-Base interactions energy: -245.220 where: short stacking energy: -192.600 Base-Backbone interact. energy: 0.137 local terms energy: -331.213327 where: bonds (distance) C4'-P energy: -89.731 bonds (distance) P-C4' energy: -83.054 flat angles C4'-P-C4' energy: -77.311 flat angles P-C4'-P energy: -60.365 tors. eta vs tors. theta energy: -20.753 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: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -609.247139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.247139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.247139 (E_RNA) where: Base-Base interactions energy: -299.756 where: short stacking energy: -173.922 Base-Backbone interact. energy: 1.828 local terms energy: -311.318426 where: bonds (distance) C4'-P energy: -80.878 bonds (distance) P-C4' energy: -94.414 flat angles C4'-P-C4' energy: -67.802 flat angles P-C4'-P energy: -46.659 tors. eta vs tors. theta energy: -21.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -439.364374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.364374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.364374 (E_RNA) where: Base-Base interactions energy: -165.957 where: short stacking energy: -145.719 Base-Backbone interact. energy: 0.579 local terms energy: -273.987109 where: bonds (distance) C4'-P energy: -75.428 bonds (distance) P-C4' energy: -75.629 flat angles C4'-P-C4' energy: -66.965 flat angles P-C4'-P energy: -56.046 tors. eta vs tors. theta energy: 0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -478.953700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.953700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.953700 (E_RNA) where: Base-Base interactions energy: -208.913 where: short stacking energy: -151.124 Base-Backbone interact. energy: -0.104 local terms energy: -269.936661 where: bonds (distance) C4'-P energy: -67.871 bonds (distance) P-C4' energy: -80.312 flat angles C4'-P-C4' energy: -61.772 flat angles P-C4'-P energy: -38.584 tors. eta vs tors. theta energy: -21.398 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: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -412.841749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.841749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.841749 (E_RNA) where: Base-Base interactions energy: -190.130 where: short stacking energy: -105.796 Base-Backbone interact. energy: -1.632 local terms energy: -221.079994 where: bonds (distance) C4'-P energy: -73.368 bonds (distance) P-C4' energy: -77.257 flat angles C4'-P-C4' energy: -60.324 flat angles P-C4'-P energy: -34.462 tors. eta vs tors. theta energy: 24.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -952.628584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.628584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.628584 (E_RNA) where: Base-Base interactions energy: -506.811 where: short stacking energy: -325.013 Base-Backbone interact. energy: -2.100 local terms energy: -443.718127 where: bonds (distance) C4'-P energy: -101.125 bonds (distance) P-C4' energy: -105.223 flat angles C4'-P-C4' energy: -94.397 flat angles P-C4'-P energy: -64.803 tors. eta vs tors. theta energy: -78.171 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: 7 Temperature: 0.950000 Total energy: -884.556809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.556809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.556809 (E_RNA) where: Base-Base interactions energy: -461.150 where: short stacking energy: -312.804 Base-Backbone interact. energy: -0.405 local terms energy: -423.001607 where: bonds (distance) C4'-P energy: -100.874 bonds (distance) P-C4' energy: -103.427 flat angles C4'-P-C4' energy: -93.319 flat angles P-C4'-P energy: -58.805 tors. eta vs tors. theta energy: -66.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -873.789848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.789848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.789848 (E_RNA) where: Base-Base interactions energy: -469.590 where: short stacking energy: -266.020 Base-Backbone interact. energy: -1.827 local terms energy: -402.372692 where: bonds (distance) C4'-P energy: -83.385 bonds (distance) P-C4' energy: -111.009 flat angles C4'-P-C4' energy: -95.074 flat angles P-C4'-P energy: -58.003 tors. eta vs tors. theta energy: -54.902 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: 4, replica: 2 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -777.538967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.538967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.538967 (E_RNA) where: Base-Base interactions energy: -383.545 where: short stacking energy: -274.279 Base-Backbone interact. energy: -0.540 local terms energy: -393.453595 where: bonds (distance) C4'-P energy: -87.932 bonds (distance) P-C4' energy: -86.461 flat angles C4'-P-C4' energy: -83.632 flat angles P-C4'-P energy: -60.667 tors. eta vs tors. theta energy: -74.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -572.951579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.951579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.951579 (E_RNA) where: Base-Base interactions energy: -238.411 where: short stacking energy: -216.269 Base-Backbone interact. energy: -1.065 local terms energy: -333.475028 where: bonds (distance) C4'-P energy: -90.632 bonds (distance) P-C4' energy: -93.111 flat angles C4'-P-C4' energy: -70.471 flat angles P-C4'-P energy: -57.701 tors. eta vs tors. theta energy: -21.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -535.357336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.357336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.357336 (E_RNA) where: Base-Base interactions energy: -231.006 where: short stacking energy: -202.130 Base-Backbone interact. energy: -1.331 local terms energy: -303.019656 where: bonds (distance) C4'-P energy: -75.501 bonds (distance) P-C4' energy: -77.393 flat angles C4'-P-C4' energy: -80.407 flat angles P-C4'-P energy: -51.290 tors. eta vs tors. theta energy: -18.429 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: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -599.208772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.208772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.208772 (E_RNA) where: Base-Base interactions energy: -294.437 where: short stacking energy: -173.592 Base-Backbone interact. energy: -3.205 local terms energy: -301.567614 where: bonds (distance) C4'-P energy: -74.858 bonds (distance) P-C4' energy: -83.836 flat angles C4'-P-C4' energy: -70.326 flat angles P-C4'-P energy: -46.202 tors. eta vs tors. theta energy: -26.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -524.213638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.213638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.213638 (E_RNA) where: Base-Base interactions energy: -229.553 where: short stacking energy: -159.604 Base-Backbone interact. energy: -0.826 local terms energy: -293.834489 where: bonds (distance) C4'-P energy: -82.094 bonds (distance) P-C4' energy: -80.472 flat angles C4'-P-C4' energy: -81.157 flat angles P-C4'-P energy: -41.273 tors. eta vs tors. theta energy: -8.837 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: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -458.149899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.149899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.149899 (E_RNA) where: Base-Base interactions energy: -177.144 where: short stacking energy: -119.109 Base-Backbone interact. energy: 0.155 local terms energy: -281.161136 where: bonds (distance) C4'-P energy: -90.715 bonds (distance) P-C4' energy: -76.606 flat angles C4'-P-C4' energy: -73.784 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -446.578483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.578483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.578483 (E_RNA) where: Base-Base interactions energy: -198.638 where: short stacking energy: -124.056 Base-Backbone interact. energy: 1.841 local terms energy: -249.781876 where: bonds (distance) C4'-P energy: -68.789 bonds (distance) P-C4' energy: -87.668 flat angles C4'-P-C4' energy: -53.853 flat angles P-C4'-P energy: -50.098 tors. eta vs tors. theta energy: 10.626 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -986.415656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.415656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.415656 (E_RNA) where: Base-Base interactions energy: -560.981 where: short stacking energy: -334.574 Base-Backbone interact. energy: -1.122 local terms energy: -424.311857 where: bonds (distance) C4'-P energy: -93.390 bonds (distance) P-C4' energy: -94.125 flat angles C4'-P-C4' energy: -92.099 flat angles P-C4'-P energy: -62.256 tors. eta vs tors. theta energy: -82.443 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: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -955.619714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.619714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.619714 (E_RNA) where: Base-Base interactions energy: -526.468 where: short stacking energy: -348.462 Base-Backbone interact. energy: 0.091 local terms energy: -429.242691 where: bonds (distance) C4'-P energy: -95.936 bonds (distance) P-C4' energy: -105.997 flat angles C4'-P-C4' energy: -84.313 flat angles P-C4'-P energy: -60.013 tors. eta vs tors. theta energy: -82.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -966.751578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.751578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.751578 (E_RNA) where: Base-Base interactions energy: -544.886 where: short stacking energy: -309.919 Base-Backbone interact. energy: 3.951 local terms energy: -425.816046 where: bonds (distance) C4'-P energy: -93.796 bonds (distance) P-C4' energy: -86.791 flat angles C4'-P-C4' energy: -94.571 flat angles P-C4'-P energy: -73.690 tors. eta vs tors. theta energy: -76.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -847.735659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.735659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.735659 (E_RNA) where: Base-Base interactions energy: -444.521 where: short stacking energy: -283.246 Base-Backbone interact. energy: 1.390 local terms energy: -404.604284 where: bonds (distance) C4'-P energy: -87.319 bonds (distance) P-C4' energy: -90.629 flat angles C4'-P-C4' energy: -95.865 flat angles P-C4'-P energy: -61.812 tors. eta vs tors. theta energy: -68.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -639.093084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.093084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.093084 (E_RNA) where: Base-Base interactions energy: -294.056 where: short stacking energy: -233.335 Base-Backbone interact. energy: -1.268 local terms energy: -343.769835 where: bonds (distance) C4'-P energy: -74.796 bonds (distance) P-C4' energy: -91.479 flat angles C4'-P-C4' energy: -87.397 flat angles P-C4'-P energy: -54.803 tors. eta vs tors. theta energy: -35.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -502.016888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.016888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.016888 (E_RNA) where: Base-Base interactions energy: -186.689 where: short stacking energy: -150.185 Base-Backbone interact. energy: -3.836 local terms energy: -311.492244 where: bonds (distance) C4'-P energy: -78.311 bonds (distance) P-C4' energy: -98.722 flat angles C4'-P-C4' energy: -77.660 flat angles P-C4'-P energy: -45.955 tors. eta vs tors. theta energy: -10.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -626.244213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.244213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.244213 (E_RNA) where: Base-Base interactions energy: -315.072 where: short stacking energy: -192.678 Base-Backbone interact. energy: -1.453 local terms energy: -309.718722 where: bonds (distance) C4'-P energy: -81.942 bonds (distance) P-C4' energy: -83.667 flat angles C4'-P-C4' energy: -80.931 flat angles P-C4'-P energy: -43.118 tors. eta vs tors. theta energy: -20.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -512.122157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.122157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.122157 (E_RNA) where: Base-Base interactions energy: -226.237 where: short stacking energy: -131.482 Base-Backbone interact. energy: -3.930 local terms energy: -281.954840 where: bonds (distance) C4'-P energy: -78.604 bonds (distance) P-C4' energy: -79.913 flat angles C4'-P-C4' energy: -77.560 flat angles P-C4'-P energy: -50.801 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: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -439.440812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.440812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.440812 (E_RNA) where: Base-Base interactions energy: -183.183 where: short stacking energy: -119.582 Base-Backbone interact. energy: -1.249 local terms energy: -255.009110 where: bonds (distance) C4'-P energy: -86.872 bonds (distance) P-C4' energy: -66.392 flat angles C4'-P-C4' energy: -59.246 flat angles P-C4'-P energy: -48.905 tors. eta vs tors. theta energy: 6.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -390.936092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.936092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.936092 (E_RNA) where: Base-Base interactions energy: -140.288 where: short stacking energy: -108.955 Base-Backbone interact. energy: 0.073 local terms energy: -250.721708 where: bonds (distance) C4'-P energy: -73.296 bonds (distance) P-C4' energy: -88.969 flat angles C4'-P-C4' energy: -64.996 flat angles P-C4'-P energy: -35.920 tors. eta vs tors. theta energy: 12.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -994.846200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.846200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.846200 (E_RNA) where: Base-Base interactions energy: -540.530 where: short stacking energy: -341.186 Base-Backbone interact. energy: 1.660 local terms energy: -455.975748 where: bonds (distance) C4'-P energy: -98.286 bonds (distance) P-C4' energy: -104.983 flat angles C4'-P-C4' energy: -101.500 flat angles P-C4'-P energy: -50.744 tors. eta vs tors. theta energy: -100.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1061.531356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.531356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.531356 (E_RNA) where: Base-Base interactions energy: -623.779 where: short stacking energy: -349.664 Base-Backbone interact. energy: -1.594 local terms energy: -436.158233 where: bonds (distance) C4'-P energy: -101.754 bonds (distance) P-C4' energy: -82.153 flat angles C4'-P-C4' energy: -103.675 flat angles P-C4'-P energy: -58.598 tors. eta vs tors. theta energy: -89.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -908.511254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.511254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.511254 (E_RNA) where: Base-Base interactions energy: -497.944 where: short stacking energy: -324.660 Base-Backbone interact. energy: 0.666 local terms energy: -411.233434 where: bonds (distance) C4'-P energy: -88.010 bonds (distance) P-C4' energy: -99.717 flat angles C4'-P-C4' energy: -87.205 flat angles P-C4'-P energy: -60.104 tors. eta vs tors. theta energy: -76.197 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: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -827.770167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.770167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.770167 (E_RNA) where: Base-Base interactions energy: -418.304 where: short stacking energy: -283.748 Base-Backbone interact. energy: 1.069 local terms energy: -410.534754 where: bonds (distance) C4'-P energy: -85.791 bonds (distance) P-C4' energy: -89.317 flat angles C4'-P-C4' energy: -95.255 flat angles P-C4'-P energy: -65.987 tors. eta vs tors. theta energy: -74.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -607.344553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.344553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.344553 (E_RNA) where: Base-Base interactions energy: -257.249 where: short stacking energy: -210.132 Base-Backbone interact. energy: -0.071 local terms energy: -350.023955 where: bonds (distance) C4'-P energy: -81.893 bonds (distance) P-C4' energy: -94.802 flat angles C4'-P-C4' energy: -93.951 flat angles P-C4'-P energy: -46.733 tors. eta vs tors. theta energy: -32.645 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: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -664.751979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.751979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.751979 (E_RNA) where: Base-Base interactions energy: -338.781 where: short stacking energy: -201.785 Base-Backbone interact. energy: -2.182 local terms energy: -323.789152 where: bonds (distance) C4'-P energy: -88.195 bonds (distance) P-C4' energy: -83.958 flat angles C4'-P-C4' energy: -73.155 flat angles P-C4'-P energy: -59.033 tors. eta vs tors. theta energy: -19.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -488.921520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.921520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.921520 (E_RNA) where: Base-Base interactions energy: -189.650 where: short stacking energy: -165.401 Base-Backbone interact. energy: -1.664 local terms energy: -297.607596 where: bonds (distance) C4'-P energy: -74.671 bonds (distance) P-C4' energy: -81.668 flat angles C4'-P-C4' energy: -87.075 flat angles P-C4'-P energy: -43.833 tors. eta vs tors. theta energy: -10.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -523.314433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.314433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.314433 (E_RNA) where: Base-Base interactions energy: -247.564 where: short stacking energy: -167.337 Base-Backbone interact. energy: 1.126 local terms energy: -276.877151 where: bonds (distance) C4'-P energy: -75.115 bonds (distance) P-C4' energy: -88.297 flat angles C4'-P-C4' energy: -66.785 flat angles P-C4'-P energy: -44.814 tors. eta vs tors. theta energy: -1.867 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: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -460.260388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.260388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.260388 (E_RNA) where: Base-Base interactions energy: -175.640 where: short stacking energy: -135.983 Base-Backbone interact. energy: 0.731 local terms energy: -285.351728 where: bonds (distance) C4'-P energy: -83.881 bonds (distance) P-C4' energy: -88.955 flat angles C4'-P-C4' energy: -52.850 flat angles P-C4'-P energy: -57.677 tors. eta vs tors. theta energy: -1.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -406.299238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.299238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.299238 (E_RNA) where: Base-Base interactions energy: -142.235 where: short stacking energy: -106.955 Base-Backbone interact. energy: 1.593 local terms energy: -265.657591 where: bonds (distance) C4'-P energy: -72.622 bonds (distance) P-C4' energy: -101.520 flat angles C4'-P-C4' energy: -78.281 flat angles P-C4'-P energy: -26.133 tors. eta vs tors. theta energy: 12.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1132.920293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.920293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.920293 (E_RNA) where: Base-Base interactions energy: -671.585 where: short stacking energy: -363.221 Base-Backbone interact. energy: -3.316 local terms energy: -458.019252 where: bonds (distance) C4'-P energy: -99.154 bonds (distance) P-C4' energy: -92.874 flat angles C4'-P-C4' energy: -101.521 flat angles P-C4'-P energy: -73.109 tors. eta vs tors. theta energy: -91.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -945.355829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.355829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.355829 (E_RNA) where: Base-Base interactions energy: -514.261 where: short stacking energy: -343.521 Base-Backbone interact. energy: -2.024 local terms energy: -429.071401 where: bonds (distance) C4'-P energy: -86.948 bonds (distance) P-C4' energy: -100.629 flat angles C4'-P-C4' energy: -89.838 flat angles P-C4'-P energy: -62.197 tors. eta vs tors. theta energy: -89.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -911.901596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.901596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.901596 (E_RNA) where: Base-Base interactions energy: -508.948 where: short stacking energy: -318.961 Base-Backbone interact. energy: -0.633 local terms energy: -402.320155 where: bonds (distance) C4'-P energy: -72.753 bonds (distance) P-C4' energy: -98.110 flat angles C4'-P-C4' energy: -90.386 flat angles P-C4'-P energy: -59.732 tors. eta vs tors. theta energy: -81.340 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: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -892.494958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.494958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.494958 (E_RNA) where: Base-Base interactions energy: -546.644 where: short stacking energy: -280.209 Base-Backbone interact. energy: -0.330 local terms energy: -345.520438 where: bonds (distance) C4'-P energy: -75.111 bonds (distance) P-C4' energy: -96.287 flat angles C4'-P-C4' energy: -79.246 flat angles P-C4'-P energy: -56.055 tors. eta vs tors. theta energy: -38.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -662.518059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.518059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.518059 (E_RNA) where: Base-Base interactions energy: -312.942 where: short stacking energy: -209.509 Base-Backbone interact. energy: -0.065 local terms energy: -349.511620 where: bonds (distance) C4'-P energy: -80.695 bonds (distance) P-C4' energy: -84.222 flat angles C4'-P-C4' energy: -82.541 flat angles P-C4'-P energy: -68.734 tors. eta vs tors. theta energy: -33.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -605.197761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.197761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.197761 (E_RNA) where: Base-Base interactions energy: -251.653 where: short stacking energy: -209.595 Base-Backbone interact. energy: -0.461 local terms energy: -353.083875 where: bonds (distance) C4'-P energy: -87.975 bonds (distance) P-C4' energy: -95.331 flat angles C4'-P-C4' energy: -89.784 flat angles P-C4'-P energy: -50.017 tors. eta vs tors. theta energy: -29.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -546.522812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.522812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.522812 (E_RNA) where: Base-Base interactions energy: -233.648 where: short stacking energy: -176.648 Base-Backbone interact. energy: 4.512 local terms energy: -317.387023 where: bonds (distance) C4'-P energy: -72.569 bonds (distance) P-C4' energy: -96.862 flat angles C4'-P-C4' energy: -74.178 flat angles P-C4'-P energy: -67.413 tors. eta vs tors. theta energy: -6.365 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: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -447.977966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.977966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.977966 (E_RNA) where: Base-Base interactions energy: -155.931 where: short stacking energy: -132.863 Base-Backbone interact. energy: -2.119 local terms energy: -289.927753 where: bonds (distance) C4'-P energy: -82.013 bonds (distance) P-C4' energy: -91.707 flat angles C4'-P-C4' energy: -83.193 flat angles P-C4'-P energy: -43.755 tors. eta vs tors. theta energy: 10.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -469.161738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.161738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.161738 (E_RNA) where: Base-Base interactions energy: -214.560 where: short stacking energy: -125.552 Base-Backbone interact. energy: 2.016 local terms energy: -256.617569 where: bonds (distance) C4'-P energy: -79.560 bonds (distance) P-C4' energy: -85.713 flat angles C4'-P-C4' energy: -72.437 flat angles P-C4'-P energy: -28.520 tors. eta vs tors. theta energy: 9.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -376.464209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.464209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.464209 (E_RNA) where: Base-Base interactions energy: -110.233 where: short stacking energy: -88.890 Base-Backbone interact. energy: 3.047 local terms energy: -269.278337 where: bonds (distance) C4'-P energy: -86.457 bonds (distance) P-C4' energy: -88.660 flat angles C4'-P-C4' energy: -67.739 flat angles P-C4'-P energy: -38.477 tors. eta vs tors. theta energy: 12.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1194.746884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.746884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.746884 (E_RNA) where: Base-Base interactions energy: -709.055 where: short stacking energy: -393.961 Base-Backbone interact. energy: -2.327 local terms energy: -483.365023 where: bonds (distance) C4'-P energy: -98.798 bonds (distance) P-C4' energy: -101.088 flat angles C4'-P-C4' energy: -103.979 flat angles P-C4'-P energy: -64.171 tors. eta vs tors. theta energy: -115.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -969.505408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.505408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.505408 (E_RNA) where: Base-Base interactions energy: -538.615 where: short stacking energy: -318.416 Base-Backbone interact. energy: -3.190 local terms energy: -427.700285 where: bonds (distance) C4'-P energy: -101.150 bonds (distance) P-C4' energy: -99.152 flat angles C4'-P-C4' energy: -99.748 flat angles P-C4'-P energy: -51.233 tors. eta vs tors. theta energy: -76.417 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: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -874.025956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.025956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.025956 (E_RNA) where: Base-Base interactions energy: -477.329 where: short stacking energy: -296.942 Base-Backbone interact. energy: -1.663 local terms energy: -395.034017 where: bonds (distance) C4'-P energy: -81.345 bonds (distance) P-C4' energy: -89.014 flat angles C4'-P-C4' energy: -92.382 flat angles P-C4'-P energy: -57.494 tors. eta vs tors. theta energy: -74.799 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: 2 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -948.047962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.047962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.047962 (E_RNA) where: Base-Base interactions energy: -561.516 where: short stacking energy: -305.757 Base-Backbone interact. energy: 0.892 local terms energy: -387.423917 where: bonds (distance) C4'-P energy: -82.811 bonds (distance) P-C4' energy: -87.306 flat angles C4'-P-C4' energy: -94.059 flat angles P-C4'-P energy: -45.572 tors. eta vs tors. theta energy: -77.676 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: 7 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -652.470302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.470302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.470302 (E_RNA) where: Base-Base interactions energy: -299.966 where: short stacking energy: -203.823 Base-Backbone interact. energy: 3.646 local terms energy: -356.150290 where: bonds (distance) C4'-P energy: -99.322 bonds (distance) P-C4' energy: -93.026 flat angles C4'-P-C4' energy: -85.977 flat angles P-C4'-P energy: -42.307 tors. eta vs tors. theta energy: -35.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -630.633395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.633395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.633395 (E_RNA) where: Base-Base interactions energy: -317.269 where: short stacking energy: -198.348 Base-Backbone interact. energy: -1.774 local terms energy: -311.590204 where: bonds (distance) C4'-P energy: -82.299 bonds (distance) P-C4' energy: -82.680 flat angles C4'-P-C4' energy: -66.669 flat angles P-C4'-P energy: -57.226 tors. eta vs tors. theta energy: -22.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -626.858501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.858501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.858501 (E_RNA) where: Base-Base interactions energy: -334.674 where: short stacking energy: -174.253 Base-Backbone interact. energy: 2.466 local terms energy: -294.649905 where: bonds (distance) C4'-P energy: -67.766 bonds (distance) P-C4' energy: -84.607 flat angles C4'-P-C4' energy: -76.215 flat angles P-C4'-P energy: -51.319 tors. eta vs tors. theta energy: -14.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -538.607902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.607902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.607902 (E_RNA) where: Base-Base interactions energy: -233.085 where: short stacking energy: -174.246 Base-Backbone interact. energy: 2.298 local terms energy: -307.820726 where: bonds (distance) C4'-P energy: -101.518 bonds (distance) P-C4' energy: -82.938 flat angles C4'-P-C4' energy: -65.112 flat angles P-C4'-P energy: -43.212 tors. eta vs tors. theta energy: -15.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -417.282554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.282554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.282554 (E_RNA) where: Base-Base interactions energy: -164.347 where: short stacking energy: -126.715 Base-Backbone interact. energy: 0.972 local terms energy: -253.907499 where: bonds (distance) C4'-P energy: -80.764 bonds (distance) P-C4' energy: -82.890 flat angles C4'-P-C4' energy: -58.715 flat angles P-C4'-P energy: -39.201 tors. eta vs tors. theta energy: 7.663 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: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -373.854518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.854518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.854518 (E_RNA) where: Base-Base interactions energy: -147.827 where: short stacking energy: -117.737 Base-Backbone interact. energy: 2.820 local terms energy: -228.847631 where: bonds (distance) C4'-P energy: -74.466 bonds (distance) P-C4' energy: -69.267 flat angles C4'-P-C4' energy: -74.865 flat angles P-C4'-P energy: -30.347 tors. eta vs tors. theta energy: 20.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1187.556954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.556954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.556954 (E_RNA) where: Base-Base interactions energy: -717.481 where: short stacking energy: -389.852 Base-Backbone interact. energy: -6.260 local terms energy: -463.816142 where: bonds (distance) C4'-P energy: -106.225 bonds (distance) P-C4' energy: -86.736 flat angles C4'-P-C4' energy: -97.144 flat angles P-C4'-P energy: -68.687 tors. eta vs tors. theta energy: -105.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1017.252425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.252425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.252425 (E_RNA) where: Base-Base interactions energy: -586.391 where: short stacking energy: -347.722 Base-Backbone interact. energy: -1.632 local terms energy: -429.229768 where: bonds (distance) C4'-P energy: -88.007 bonds (distance) P-C4' energy: -93.291 flat angles C4'-P-C4' energy: -100.671 flat angles P-C4'-P energy: -71.122 tors. eta vs tors. theta energy: -76.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1041.556912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.556912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.556912 (E_RNA) where: Base-Base interactions energy: -601.039 where: short stacking energy: -330.026 Base-Backbone interact. energy: -1.297 local terms energy: -439.221251 where: bonds (distance) C4'-P energy: -97.070 bonds (distance) P-C4' energy: -94.106 flat angles C4'-P-C4' energy: -97.640 flat angles P-C4'-P energy: -62.016 tors. eta vs tors. theta energy: -88.389 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: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -866.789106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.789106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.789106 (E_RNA) where: Base-Base interactions energy: -477.910 where: short stacking energy: -286.049 Base-Backbone interact. energy: 2.330 local terms energy: -391.209205 where: bonds (distance) C4'-P energy: -87.945 bonds (distance) P-C4' energy: -88.943 flat angles C4'-P-C4' energy: -92.300 flat angles P-C4'-P energy: -63.153 tors. eta vs tors. theta energy: -58.867 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: 4 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -667.664723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.664723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.664723 (E_RNA) where: Base-Base interactions energy: -327.057 where: short stacking energy: -215.989 Base-Backbone interact. energy: -1.942 local terms energy: -338.666340 where: bonds (distance) C4'-P energy: -88.799 bonds (distance) P-C4' energy: -78.284 flat angles C4'-P-C4' energy: -79.026 flat angles P-C4'-P energy: -53.174 tors. eta vs tors. theta energy: -39.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -614.514960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.514960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.514960 (E_RNA) where: Base-Base interactions energy: -300.155 where: short stacking energy: -196.437 Base-Backbone interact. energy: 6.317 local terms energy: -320.676211 where: bonds (distance) C4'-P energy: -87.717 bonds (distance) P-C4' energy: -89.021 flat angles C4'-P-C4' energy: -84.393 flat angles P-C4'-P energy: -48.028 tors. eta vs tors. theta energy: -11.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -691.585098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.585098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.585098 (E_RNA) where: Base-Base interactions energy: -376.449 where: short stacking energy: -203.148 Base-Backbone interact. energy: -3.131 local terms energy: -312.005218 where: bonds (distance) C4'-P energy: -87.893 bonds (distance) P-C4' energy: -73.204 flat angles C4'-P-C4' energy: -72.006 flat angles P-C4'-P energy: -56.915 tors. eta vs tors. theta energy: -21.987 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: 12 Temperature: 1.250000 Total energy: -540.128704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.128704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.128704 (E_RNA) where: Base-Base interactions energy: -265.509 where: short stacking energy: -193.127 Base-Backbone interact. energy: 1.881 local terms energy: -276.500871 where: bonds (distance) C4'-P energy: -79.041 bonds (distance) P-C4' energy: -69.824 flat angles C4'-P-C4' energy: -86.774 flat angles P-C4'-P energy: -26.278 tors. eta vs tors. theta energy: -14.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -393.148471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.148471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.148471 (E_RNA) where: Base-Base interactions energy: -118.679 where: short stacking energy: -88.953 Base-Backbone interact. energy: -1.600 local terms energy: -272.869652 where: bonds (distance) C4'-P energy: -84.560 bonds (distance) P-C4' energy: -97.068 flat angles C4'-P-C4' energy: -70.040 flat angles P-C4'-P energy: -37.576 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: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -383.179346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.179346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.179346 (E_RNA) where: Base-Base interactions energy: -130.774 where: short stacking energy: -111.225 Base-Backbone interact. energy: 0.777 local terms energy: -253.182237 where: bonds (distance) C4'-P energy: -73.750 bonds (distance) P-C4' energy: -90.405 flat angles C4'-P-C4' energy: -64.589 flat angles P-C4'-P energy: -32.186 tors. eta vs tors. theta energy: 7.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1187.813515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.813515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.813515 (E_RNA) where: Base-Base interactions energy: -727.021 where: short stacking energy: -425.737 Base-Backbone interact. energy: -2.151 local terms energy: -458.641305 where: bonds (distance) C4'-P energy: -93.053 bonds (distance) P-C4' energy: -93.362 flat angles C4'-P-C4' energy: -111.259 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: -97.654 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: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1094.533878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.533878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.533878 (E_RNA) where: Base-Base interactions energy: -649.687 where: short stacking energy: -358.851 Base-Backbone interact. energy: 0.228 local terms energy: -445.074494 where: bonds (distance) C4'-P energy: -90.365 bonds (distance) P-C4' energy: -101.142 flat angles C4'-P-C4' energy: -96.376 flat angles P-C4'-P energy: -62.532 tors. eta vs tors. theta energy: -94.660 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: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -976.587887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.587887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.587887 (E_RNA) where: Base-Base interactions energy: -546.466 where: short stacking energy: -331.692 Base-Backbone interact. energy: -0.490 local terms energy: -429.632189 where: bonds (distance) C4'-P energy: -92.511 bonds (distance) P-C4' energy: -82.379 flat angles C4'-P-C4' energy: -102.673 flat angles P-C4'-P energy: -67.654 tors. eta vs tors. theta energy: -84.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -836.342232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.342232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.342232 (E_RNA) where: Base-Base interactions energy: -428.315 where: short stacking energy: -286.947 Base-Backbone interact. energy: -2.608 local terms energy: -405.418540 where: bonds (distance) C4'-P energy: -90.160 bonds (distance) P-C4' energy: -94.238 flat angles C4'-P-C4' energy: -100.850 flat angles P-C4'-P energy: -55.344 tors. eta vs tors. theta energy: -64.826 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: 4 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -679.101529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.101529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.101529 (E_RNA) where: Base-Base interactions energy: -329.103 where: short stacking energy: -200.279 Base-Backbone interact. energy: -1.480 local terms energy: -348.518241 where: bonds (distance) C4'-P energy: -89.503 bonds (distance) P-C4' energy: -98.221 flat angles C4'-P-C4' energy: -80.358 flat angles P-C4'-P energy: -60.523 tors. eta vs tors. theta energy: -19.914 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: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -733.549656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.549656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.549656 (E_RNA) where: Base-Base interactions energy: -413.222 where: short stacking energy: -201.449 Base-Backbone interact. energy: -0.027 local terms energy: -320.301283 where: bonds (distance) C4'-P energy: -78.957 bonds (distance) P-C4' energy: -75.913 flat angles C4'-P-C4' energy: -95.374 flat angles P-C4'-P energy: -34.610 tors. eta vs tors. theta energy: -35.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -605.249217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.249217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.249217 (E_RNA) where: Base-Base interactions energy: -267.768 where: short stacking energy: -186.262 Base-Backbone interact. energy: 2.915 local terms energy: -340.395880 where: bonds (distance) C4'-P energy: -71.532 bonds (distance) P-C4' energy: -82.294 flat angles C4'-P-C4' energy: -107.988 flat angles P-C4'-P energy: -57.560 tors. eta vs tors. theta energy: -21.023 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: 13 Temperature: 1.250000 Total energy: -552.543234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.543234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.543234 (E_RNA) where: Base-Base interactions energy: -265.720 where: short stacking energy: -184.004 Base-Backbone interact. energy: 0.922 local terms energy: -287.745020 where: bonds (distance) C4'-P energy: -74.773 bonds (distance) P-C4' energy: -88.222 flat angles C4'-P-C4' energy: -75.633 flat angles P-C4'-P energy: -42.506 tors. eta vs tors. theta energy: -6.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -446.062468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.062468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.062468 (E_RNA) where: Base-Base interactions energy: -186.967 where: short stacking energy: -164.936 Base-Backbone interact. energy: 8.710 local terms energy: -267.805917 where: bonds (distance) C4'-P energy: -76.469 bonds (distance) P-C4' energy: -70.945 flat angles C4'-P-C4' energy: -65.341 flat angles P-C4'-P energy: -52.049 tors. eta vs tors. theta energy: -3.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -391.100606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.100606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.100606 (E_RNA) where: Base-Base interactions energy: -129.952 where: short stacking energy: -126.019 Base-Backbone interact. energy: -0.192 local terms energy: -260.956926 where: bonds (distance) C4'-P energy: -71.056 bonds (distance) P-C4' energy: -88.554 flat angles C4'-P-C4' energy: -74.858 flat angles P-C4'-P energy: -39.299 tors. eta vs tors. theta energy: 12.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1194.146107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.146107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.146107 (E_RNA) where: Base-Base interactions energy: -710.042 where: short stacking energy: -404.303 Base-Backbone interact. energy: -0.997 local terms energy: -483.106491 where: bonds (distance) C4'-P energy: -101.838 bonds (distance) P-C4' energy: -104.314 flat angles C4'-P-C4' energy: -111.859 flat angles P-C4'-P energy: -52.862 tors. eta vs tors. theta energy: -112.234 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: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1133.120943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.120943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.120943 (E_RNA) where: Base-Base interactions energy: -690.916 where: short stacking energy: -362.928 Base-Backbone interact. energy: 0.237 local terms energy: -442.441740 where: bonds (distance) C4'-P energy: -96.143 bonds (distance) P-C4' energy: -80.218 flat angles C4'-P-C4' energy: -101.091 flat angles P-C4'-P energy: -73.331 tors. eta vs tors. theta energy: -91.658 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: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -867.736057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.736057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.736057 (E_RNA) where: Base-Base interactions energy: -456.643 where: short stacking energy: -279.866 Base-Backbone interact. energy: -1.581 local terms energy: -409.511749 where: bonds (distance) C4'-P energy: -87.918 bonds (distance) P-C4' energy: -97.594 flat angles C4'-P-C4' energy: -81.861 flat angles P-C4'-P energy: -71.765 tors. eta vs tors. theta energy: -70.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -845.298644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.298644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.298644 (E_RNA) where: Base-Base interactions energy: -445.779 where: short stacking energy: -271.647 Base-Backbone interact. energy: -0.474 local terms energy: -399.045774 where: bonds (distance) C4'-P energy: -93.786 bonds (distance) P-C4' energy: -101.148 flat angles C4'-P-C4' energy: -94.692 flat angles P-C4'-P energy: -56.792 tors. eta vs tors. theta energy: -52.626 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: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -812.652515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.652515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.652515 (E_RNA) where: Base-Base interactions energy: -449.394 where: short stacking energy: -266.819 Base-Backbone interact. energy: 0.539 local terms energy: -363.797426 where: bonds (distance) C4'-P energy: -87.539 bonds (distance) P-C4' energy: -87.465 flat angles C4'-P-C4' energy: -86.715 flat angles P-C4'-P energy: -54.820 tors. eta vs tors. theta energy: -47.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -615.930144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.930144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.930144 (E_RNA) where: Base-Base interactions energy: -322.831 where: short stacking energy: -190.005 Base-Backbone interact. energy: 3.408 local terms energy: -296.506773 where: bonds (distance) C4'-P energy: -78.632 bonds (distance) P-C4' energy: -86.577 flat angles C4'-P-C4' energy: -72.561 flat angles P-C4'-P energy: -57.665 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -664.749271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.749271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.749271 (E_RNA) where: Base-Base interactions energy: -357.673 where: short stacking energy: -194.613 Base-Backbone interact. energy: 1.345 local terms energy: -308.420666 where: bonds (distance) C4'-P energy: -79.048 bonds (distance) P-C4' energy: -90.502 flat angles C4'-P-C4' energy: -86.891 flat angles P-C4'-P energy: -41.641 tors. eta vs tors. theta energy: -10.338 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: 8, replica: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -607.774565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.774565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.774565 (E_RNA) where: Base-Base interactions energy: -315.442 where: short stacking energy: -174.104 Base-Backbone interact. energy: -1.082 local terms energy: -291.250888 where: bonds (distance) C4'-P energy: -74.344 bonds (distance) P-C4' energy: -73.044 flat angles C4'-P-C4' energy: -75.376 flat angles P-C4'-P energy: -51.630 tors. eta vs tors. theta energy: -16.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -454.790415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.790415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.790415 (E_RNA) where: Base-Base interactions energy: -186.488 where: short stacking energy: -138.589 Base-Backbone interact. energy: -2.265 local terms energy: -266.037151 where: bonds (distance) C4'-P energy: -68.195 bonds (distance) P-C4' energy: -87.514 flat angles C4'-P-C4' energy: -79.155 flat angles P-C4'-P energy: -26.648 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -350.612791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -350.612791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -350.612791 (E_RNA) where: Base-Base interactions energy: -122.342 where: short stacking energy: -90.437 Base-Backbone interact. energy: 1.367 local terms energy: -229.637527 where: bonds (distance) C4'-P energy: -81.720 bonds (distance) P-C4' energy: -84.347 flat angles C4'-P-C4' energy: -62.647 flat angles P-C4'-P energy: -27.603 tors. eta vs tors. theta energy: 26.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1187.469450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.469450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.469450 (E_RNA) where: Base-Base interactions energy: -723.710 where: short stacking energy: -385.473 Base-Backbone interact. energy: -1.739 local terms energy: -462.020675 where: bonds (distance) C4'-P energy: -92.414 bonds (distance) P-C4' energy: -97.400 flat angles C4'-P-C4' energy: -93.850 flat angles P-C4'-P energy: -73.739 tors. eta vs tors. theta energy: -104.618 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: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1190.521537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.521537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.521537 (E_RNA) where: Base-Base interactions energy: -735.802 where: short stacking energy: -375.350 Base-Backbone interact. energy: -1.594 local terms energy: -453.125239 where: bonds (distance) C4'-P energy: -96.094 bonds (distance) P-C4' energy: -88.791 flat angles C4'-P-C4' energy: -106.192 flat angles P-C4'-P energy: -69.309 tors. eta vs tors. theta energy: -92.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -900.733320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.733320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.733320 (E_RNA) where: Base-Base interactions energy: -493.175 where: short stacking energy: -312.328 Base-Backbone interact. energy: -2.101 local terms energy: -405.457272 where: bonds (distance) C4'-P energy: -90.235 bonds (distance) P-C4' energy: -87.413 flat angles C4'-P-C4' energy: -98.332 flat angles P-C4'-P energy: -57.185 tors. eta vs tors. theta energy: -72.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -918.225190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.225190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.225190 (E_RNA) where: Base-Base interactions energy: -554.321 where: short stacking energy: -294.181 Base-Backbone interact. energy: -0.118 local terms energy: -363.786769 where: bonds (distance) C4'-P energy: -87.944 bonds (distance) P-C4' energy: -76.662 flat angles C4'-P-C4' energy: -76.287 flat angles P-C4'-P energy: -51.934 tors. eta vs tors. theta energy: -70.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -791.274237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.274237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.274237 (E_RNA) where: Base-Base interactions energy: -404.781 where: short stacking energy: -254.030 Base-Backbone interact. energy: -1.711 local terms energy: -384.782476 where: bonds (distance) C4'-P energy: -100.495 bonds (distance) P-C4' energy: -93.927 flat angles C4'-P-C4' energy: -87.198 flat angles P-C4'-P energy: -48.697 tors. eta vs tors. theta energy: -54.467 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: 10 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -672.737222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.737222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.737222 (E_RNA) where: Base-Base interactions energy: -329.499 where: short stacking energy: -195.569 Base-Backbone interact. energy: -1.469 local terms energy: -341.769244 where: bonds (distance) C4'-P energy: -97.696 bonds (distance) P-C4' energy: -84.215 flat angles C4'-P-C4' energy: -85.824 flat angles P-C4'-P energy: -50.853 tors. eta vs tors. theta energy: -23.181 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: 4 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -609.992766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.992766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.992766 (E_RNA) where: Base-Base interactions energy: -309.864 where: short stacking energy: -179.707 Base-Backbone interact. energy: -0.786 local terms energy: -299.342694 where: bonds (distance) C4'-P energy: -84.922 bonds (distance) P-C4' energy: -80.569 flat angles C4'-P-C4' energy: -70.215 flat angles P-C4'-P energy: -46.806 tors. eta vs tors. theta energy: -16.831 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: 7 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -559.162917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.162917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.162917 (E_RNA) where: Base-Base interactions energy: -274.302 where: short stacking energy: -138.264 Base-Backbone interact. energy: 0.919 local terms energy: -285.780505 where: bonds (distance) C4'-P energy: -85.307 bonds (distance) P-C4' energy: -90.302 flat angles C4'-P-C4' energy: -70.428 flat angles P-C4'-P energy: -45.391 tors. eta vs tors. theta energy: 5.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -401.001155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.001155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.001155 (E_RNA) where: Base-Base interactions energy: -159.020 where: short stacking energy: -124.086 Base-Backbone interact. energy: 1.931 local terms energy: -243.912269 where: bonds (distance) C4'-P energy: -64.382 bonds (distance) P-C4' energy: -75.622 flat angles C4'-P-C4' energy: -64.464 flat angles P-C4'-P energy: -48.657 tors. eta vs tors. theta energy: 9.213 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: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -366.464295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.464295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.464295 (E_RNA) where: Base-Base interactions energy: -129.499 where: short stacking energy: -86.453 Base-Backbone interact. energy: 6.099 local terms energy: -243.064160 where: bonds (distance) C4'-P energy: -67.298 bonds (distance) P-C4' energy: -91.668 flat angles C4'-P-C4' energy: -81.323 flat angles P-C4'-P energy: -21.546 tors. eta vs tors. theta energy: 18.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1262.565636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.565636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.565636 (E_RNA) where: Base-Base interactions energy: -781.280 where: short stacking energy: -394.323 Base-Backbone interact. energy: -0.914 local terms energy: -480.371891 where: bonds (distance) C4'-P energy: -98.112 bonds (distance) P-C4' energy: -100.075 flat angles C4'-P-C4' energy: -105.648 flat angles P-C4'-P energy: -65.234 tors. eta vs tors. theta energy: -111.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1151.240084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.240084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.240084 (E_RNA) where: Base-Base interactions energy: -686.809 where: short stacking energy: -354.257 Base-Backbone interact. energy: -1.503 local terms energy: -462.927251 where: bonds (distance) C4'-P energy: -94.967 bonds (distance) P-C4' energy: -96.482 flat angles C4'-P-C4' energy: -101.317 flat angles P-C4'-P energy: -68.687 tors. eta vs tors. theta energy: -101.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1019.030232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.030232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.030232 (E_RNA) where: Base-Base interactions energy: -602.779 where: short stacking energy: -362.936 Base-Backbone interact. energy: -1.979 local terms energy: -414.271849 where: bonds (distance) C4'-P energy: -89.861 bonds (distance) P-C4' energy: -99.647 flat angles C4'-P-C4' energy: -99.327 flat angles P-C4'-P energy: -44.268 tors. eta vs tors. theta energy: -81.169 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: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -915.057642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.057642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.057642 (E_RNA) where: Base-Base interactions energy: -532.887 where: short stacking energy: -294.896 Base-Backbone interact. energy: -1.188 local terms energy: -380.982238 where: bonds (distance) C4'-P energy: -70.133 bonds (distance) P-C4' energy: -113.766 flat angles C4'-P-C4' energy: -90.286 flat angles P-C4'-P energy: -55.164 tors. eta vs tors. theta energy: -51.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -749.920346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.920346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.920346 (E_RNA) where: Base-Base interactions energy: -380.387 where: short stacking energy: -238.945 Base-Backbone interact. energy: 4.547 local terms energy: -374.080243 where: bonds (distance) C4'-P energy: -83.455 bonds (distance) P-C4' energy: -89.810 flat angles C4'-P-C4' energy: -93.428 flat angles P-C4'-P energy: -58.137 tors. eta vs tors. theta energy: -49.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -666.100499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.100499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.100499 (E_RNA) where: Base-Base interactions energy: -341.449 where: short stacking energy: -195.832 Base-Backbone interact. energy: -0.318 local terms energy: -324.333545 where: bonds (distance) C4'-P energy: -95.255 bonds (distance) P-C4' energy: -80.108 flat angles C4'-P-C4' energy: -79.336 flat angles P-C4'-P energy: -41.826 tors. eta vs tors. theta energy: -27.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -606.858033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.858033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.858033 (E_RNA) where: Base-Base interactions energy: -289.474 where: short stacking energy: -158.124 Base-Backbone interact. energy: -1.166 local terms energy: -316.217955 where: bonds (distance) C4'-P energy: -74.612 bonds (distance) P-C4' energy: -95.240 flat angles C4'-P-C4' energy: -85.831 flat angles P-C4'-P energy: -53.866 tors. eta vs tors. theta energy: -6.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -619.611640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.611640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.611640 (E_RNA) where: Base-Base interactions energy: -318.142 where: short stacking energy: -176.712 Base-Backbone interact. energy: -0.439 local terms energy: -301.030557 where: bonds (distance) C4'-P energy: -74.266 bonds (distance) P-C4' energy: -96.582 flat angles C4'-P-C4' energy: -74.054 flat angles P-C4'-P energy: -45.104 tors. eta vs tors. theta energy: -11.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -398.066302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.066302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.066302 (E_RNA) where: Base-Base interactions energy: -137.822 where: short stacking energy: -117.985 Base-Backbone interact. energy: 2.088 local terms energy: -262.332410 where: bonds (distance) C4'-P energy: -62.863 bonds (distance) P-C4' energy: -87.537 flat angles C4'-P-C4' energy: -81.869 flat angles P-C4'-P energy: -36.422 tors. eta vs tors. theta energy: 6.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -375.095831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.095831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.095831 (E_RNA) where: Base-Base interactions energy: -108.163 where: short stacking energy: -101.219 Base-Backbone interact. energy: -1.163 local terms energy: -265.769766 where: bonds (distance) C4'-P energy: -67.823 bonds (distance) P-C4' energy: -94.050 flat angles C4'-P-C4' energy: -62.856 flat angles P-C4'-P energy: -50.102 tors. eta vs tors. theta energy: 9.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1292.494344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.494344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.494344 (E_RNA) where: Base-Base interactions energy: -809.019 where: short stacking energy: -420.834 Base-Backbone interact. energy: -1.222 local terms energy: -482.254060 where: bonds (distance) C4'-P energy: -90.262 bonds (distance) P-C4' energy: -94.933 flat angles C4'-P-C4' energy: -105.275 flat angles P-C4'-P energy: -76.100 tors. eta vs tors. theta energy: -115.684 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: 2, replica: 6 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1163.219677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.219677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.219677 (E_RNA) where: Base-Base interactions energy: -692.082 where: short stacking energy: -381.225 Base-Backbone interact. energy: -3.753 local terms energy: -467.384987 where: bonds (distance) C4'-P energy: -89.700 bonds (distance) P-C4' energy: -102.631 flat angles C4'-P-C4' energy: -98.966 flat angles P-C4'-P energy: -60.870 tors. eta vs tors. theta energy: -115.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1020.666933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.666933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.666933 (E_RNA) where: Base-Base interactions energy: -598.917 where: short stacking energy: -312.506 Base-Backbone interact. energy: -1.770 local terms energy: -419.980502 where: bonds (distance) C4'-P energy: -92.148 bonds (distance) P-C4' energy: -107.340 flat angles C4'-P-C4' energy: -93.175 flat angles P-C4'-P energy: -63.806 tors. eta vs tors. theta energy: -63.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -855.990046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.990046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.990046 (E_RNA) where: Base-Base interactions energy: -493.707 where: short stacking energy: -292.050 Base-Backbone interact. energy: -0.943 local terms energy: -361.339892 where: bonds (distance) C4'-P energy: -74.980 bonds (distance) P-C4' energy: -79.643 flat angles C4'-P-C4' energy: -93.435 flat angles P-C4'-P energy: -64.144 tors. eta vs tors. theta energy: -49.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -723.875456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.875456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.875456 (E_RNA) where: Base-Base interactions energy: -375.080 where: short stacking energy: -222.638 Base-Backbone interact. energy: -1.103 local terms energy: -347.692944 where: bonds (distance) C4'-P energy: -78.853 bonds (distance) P-C4' energy: -95.362 flat angles C4'-P-C4' energy: -73.476 flat angles P-C4'-P energy: -62.553 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: 6, replica: 10 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -728.776306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.776306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.776306 (E_RNA) where: Base-Base interactions energy: -380.103 where: short stacking energy: -193.753 Base-Backbone interact. energy: -1.907 local terms energy: -346.766100 where: bonds (distance) C4'-P energy: -95.638 bonds (distance) P-C4' energy: -87.108 flat angles C4'-P-C4' energy: -85.025 flat angles P-C4'-P energy: -48.915 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: 7, replica: 4 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -601.622616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.622616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.622616 (E_RNA) where: Base-Base interactions energy: -308.193 where: short stacking energy: -195.616 Base-Backbone interact. energy: -3.211 local terms energy: -290.218629 where: bonds (distance) C4'-P energy: -71.635 bonds (distance) P-C4' energy: -79.117 flat angles C4'-P-C4' energy: -66.970 flat angles P-C4'-P energy: -50.225 tors. eta vs tors. theta energy: -22.272 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: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -620.965074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.965074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.965074 (E_RNA) where: Base-Base interactions energy: -335.658 where: short stacking energy: -208.599 Base-Backbone interact. energy: -1.627 local terms energy: -283.679565 where: bonds (distance) C4'-P energy: -74.994 bonds (distance) P-C4' energy: -73.464 flat angles C4'-P-C4' energy: -86.082 flat angles P-C4'-P energy: -40.913 tors. eta vs tors. theta energy: -8.226 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: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -410.082597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.082597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.082597 (E_RNA) where: Base-Base interactions energy: -138.353 where: short stacking energy: -129.281 Base-Backbone interact. energy: 4.820 local terms energy: -276.549113 where: bonds (distance) C4'-P energy: -80.113 bonds (distance) P-C4' energy: -79.158 flat angles C4'-P-C4' energy: -68.294 flat angles P-C4'-P energy: -46.678 tors. eta vs tors. theta energy: -2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -400.767998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.767998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.767998 (E_RNA) where: Base-Base interactions energy: -171.440 where: short stacking energy: -133.144 Base-Backbone interact. energy: 1.173 local terms energy: -230.501612 where: bonds (distance) C4'-P energy: -67.507 bonds (distance) P-C4' energy: -86.870 flat angles C4'-P-C4' energy: -60.947 flat angles P-C4'-P energy: -19.511 tors. eta vs tors. theta energy: 4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1341.529679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.529679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.529679 (E_RNA) where: Base-Base interactions energy: -876.676 where: short stacking energy: -411.890 Base-Backbone interact. energy: 0.868 local terms energy: -465.721611 where: bonds (distance) C4'-P energy: -90.038 bonds (distance) P-C4' energy: -95.850 flat angles C4'-P-C4' energy: -106.136 flat angles P-C4'-P energy: -66.548 tors. eta vs tors. theta energy: -107.150 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: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1155.652795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.652795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.652795 (E_RNA) where: Base-Base interactions energy: -733.239 where: short stacking energy: -353.517 Base-Backbone interact. energy: -4.328 local terms energy: -418.085172 where: bonds (distance) C4'-P energy: -93.183 bonds (distance) P-C4' energy: -94.757 flat angles C4'-P-C4' energy: -98.561 flat angles P-C4'-P energy: -54.213 tors. eta vs tors. theta energy: -77.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1003.392281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.392281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.392281 (E_RNA) where: Base-Base interactions energy: -594.308 where: short stacking energy: -330.331 Base-Backbone interact. energy: -2.258 local terms energy: -406.826564 where: bonds (distance) C4'-P energy: -87.989 bonds (distance) P-C4' energy: -88.385 flat angles C4'-P-C4' energy: -87.998 flat angles P-C4'-P energy: -63.722 tors. eta vs tors. theta energy: -78.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -870.593768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.593768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.593768 (E_RNA) where: Base-Base interactions energy: -503.424 where: short stacking energy: -260.696 Base-Backbone interact. energy: -0.409 local terms energy: -366.761023 where: bonds (distance) C4'-P energy: -84.641 bonds (distance) P-C4' energy: -91.220 flat angles C4'-P-C4' energy: -79.351 flat angles P-C4'-P energy: -62.494 tors. eta vs tors. theta energy: -49.054 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: 10 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -817.201221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.201221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.201221 (E_RNA) where: Base-Base interactions energy: -452.928 where: short stacking energy: -258.073 Base-Backbone interact. energy: -0.150 local terms energy: -364.123070 where: bonds (distance) C4'-P energy: -87.282 bonds (distance) P-C4' energy: -81.112 flat angles C4'-P-C4' energy: -87.200 flat angles P-C4'-P energy: -62.673 tors. eta vs tors. theta energy: -45.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -670.401221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.401221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.401221 (E_RNA) where: Base-Base interactions energy: -368.021 where: short stacking energy: -235.819 Base-Backbone interact. energy: -0.719 local terms energy: -301.661367 where: bonds (distance) C4'-P energy: -70.989 bonds (distance) P-C4' energy: -83.187 flat angles C4'-P-C4' energy: -70.805 flat angles P-C4'-P energy: -32.169 tors. eta vs tors. theta energy: -44.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -581.601567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.601567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.601567 (E_RNA) where: Base-Base interactions energy: -264.015 where: short stacking energy: -194.210 Base-Backbone interact. energy: 3.640 local terms energy: -321.225974 where: bonds (distance) C4'-P energy: -76.448 bonds (distance) P-C4' energy: -80.530 flat angles C4'-P-C4' energy: -84.172 flat angles P-C4'-P energy: -58.750 tors. eta vs tors. theta energy: -21.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -597.547268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.547268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.547268 (E_RNA) where: Base-Base interactions energy: -289.048 where: short stacking energy: -150.475 Base-Backbone interact. energy: -1.470 local terms energy: -307.029786 where: bonds (distance) C4'-P energy: -84.202 bonds (distance) P-C4' energy: -82.628 flat angles C4'-P-C4' energy: -88.702 flat angles P-C4'-P energy: -46.273 tors. eta vs tors. theta energy: -5.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -461.318611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.318611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.318611 (E_RNA) where: Base-Base interactions energy: -209.232 where: short stacking energy: -128.829 Base-Backbone interact. energy: -0.140 local terms energy: -251.946029 where: bonds (distance) C4'-P energy: -63.243 bonds (distance) P-C4' energy: -82.881 flat angles C4'-P-C4' energy: -70.395 flat angles P-C4'-P energy: -36.740 tors. eta vs tors. theta energy: 1.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -384.022984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.022984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.022984 (E_RNA) where: Base-Base interactions energy: -138.404 where: short stacking energy: -112.786 Base-Backbone interact. energy: 2.905 local terms energy: -248.523848 where: bonds (distance) C4'-P energy: -79.184 bonds (distance) P-C4' energy: -87.791 flat angles C4'-P-C4' energy: -59.709 flat angles P-C4'-P energy: -39.357 tors. eta vs tors. theta energy: 17.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1326.728560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.728560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.728560 (E_RNA) where: Base-Base interactions energy: -838.054 where: short stacking energy: -414.396 Base-Backbone interact. energy: 2.324 local terms energy: -490.998403 where: bonds (distance) C4'-P energy: -92.415 bonds (distance) P-C4' energy: -102.845 flat angles C4'-P-C4' energy: -101.603 flat angles P-C4'-P energy: -76.194 tors. eta vs tors. theta energy: -117.941 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: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1135.056429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.056429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.056429 (E_RNA) where: Base-Base interactions energy: -682.566 where: short stacking energy: -345.882 Base-Backbone interact. energy: -2.825 local terms energy: -449.666138 where: bonds (distance) C4'-P energy: -88.798 bonds (distance) P-C4' energy: -97.810 flat angles C4'-P-C4' energy: -101.110 flat angles P-C4'-P energy: -68.504 tors. eta vs tors. theta energy: -93.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1079.753198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.753198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.753198 (E_RNA) where: Base-Base interactions energy: -652.208 where: short stacking energy: -329.402 Base-Backbone interact. energy: 0.513 local terms energy: -428.058249 where: bonds (distance) C4'-P energy: -94.597 bonds (distance) P-C4' energy: -85.220 flat angles C4'-P-C4' energy: -92.543 flat angles P-C4'-P energy: -66.418 tors. eta vs tors. theta energy: -89.280 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: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -901.706658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.706658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.706658 (E_RNA) where: Base-Base interactions energy: -515.404 where: short stacking energy: -303.551 Base-Backbone interact. energy: -1.207 local terms energy: -385.095147 where: bonds (distance) C4'-P energy: -86.971 bonds (distance) P-C4' energy: -92.004 flat angles C4'-P-C4' energy: -71.300 flat angles P-C4'-P energy: -56.912 tors. eta vs tors. theta energy: -77.907 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: 10 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -887.560702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.560702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.560702 (E_RNA) where: Base-Base interactions energy: -504.160 where: short stacking energy: -284.130 Base-Backbone interact. energy: -0.043 local terms energy: -383.357586 where: bonds (distance) C4'-P energy: -90.241 bonds (distance) P-C4' energy: -81.255 flat angles C4'-P-C4' energy: -83.494 flat angles P-C4'-P energy: -72.261 tors. eta vs tors. theta energy: -56.106 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: 6, replica: 1 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -681.434661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.434661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.434661 (E_RNA) where: Base-Base interactions energy: -340.468 where: short stacking energy: -211.721 Base-Backbone interact. energy: 4.223 local terms energy: -345.190168 where: bonds (distance) C4'-P energy: -86.015 bonds (distance) P-C4' energy: -95.974 flat angles C4'-P-C4' energy: -82.664 flat angles P-C4'-P energy: -54.490 tors. eta vs tors. theta energy: -26.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -554.561701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.561701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.561701 (E_RNA) where: Base-Base interactions energy: -266.726 where: short stacking energy: -178.050 Base-Backbone interact. energy: -2.119 local terms energy: -285.715927 where: bonds (distance) C4'-P energy: -71.049 bonds (distance) P-C4' energy: -76.924 flat angles C4'-P-C4' energy: -76.945 flat angles P-C4'-P energy: -47.322 tors. eta vs tors. theta energy: -13.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -648.684743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.684743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.684743 (E_RNA) where: Base-Base interactions energy: -322.253 where: short stacking energy: -182.764 Base-Backbone interact. energy: 0.795 local terms energy: -327.226856 where: bonds (distance) C4'-P energy: -84.263 bonds (distance) P-C4' energy: -84.843 flat angles C4'-P-C4' energy: -95.462 flat angles P-C4'-P energy: -56.955 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -444.799482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.799482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.799482 (E_RNA) where: Base-Base interactions energy: -186.412 where: short stacking energy: -122.428 Base-Backbone interact. energy: -2.409 local terms energy: -255.978815 where: bonds (distance) C4'-P energy: -66.159 bonds (distance) P-C4' energy: -88.514 flat angles C4'-P-C4' energy: -71.868 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: 17.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -359.814916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.814916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.814916 (E_RNA) where: Base-Base interactions energy: -131.210 where: short stacking energy: -108.827 Base-Backbone interact. energy: -1.604 local terms energy: -227.000936 where: bonds (distance) C4'-P energy: -79.156 bonds (distance) P-C4' energy: -71.975 flat angles C4'-P-C4' energy: -60.753 flat angles P-C4'-P energy: -39.118 tors. eta vs tors. theta energy: 24.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1335.192924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.192924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.192924 (E_RNA) where: Base-Base interactions energy: -849.224 where: short stacking energy: -418.873 Base-Backbone interact. energy: -1.433 local terms energy: -484.535919 where: bonds (distance) C4'-P energy: -90.452 bonds (distance) P-C4' energy: -98.234 flat angles C4'-P-C4' energy: -107.922 flat angles P-C4'-P energy: -67.450 tors. eta vs tors. theta energy: -120.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1112.368675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.368675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.368675 (E_RNA) where: Base-Base interactions energy: -665.282 where: short stacking energy: -357.309 Base-Backbone interact. energy: -4.556 local terms energy: -442.530337 where: bonds (distance) C4'-P energy: -97.694 bonds (distance) P-C4' energy: -97.408 flat angles C4'-P-C4' energy: -95.424 flat angles P-C4'-P energy: -56.735 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: 3, replica: 8 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1073.145716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.145716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.145716 (E_RNA) where: Base-Base interactions energy: -677.769 where: short stacking energy: -333.473 Base-Backbone interact. energy: 2.904 local terms energy: -398.281332 where: bonds (distance) C4'-P energy: -80.750 bonds (distance) P-C4' energy: -91.757 flat angles C4'-P-C4' energy: -80.653 flat angles P-C4'-P energy: -61.989 tors. eta vs tors. theta energy: -83.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -866.166705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.166705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.166705 (E_RNA) where: Base-Base interactions energy: -494.871 where: short stacking energy: -270.661 Base-Backbone interact. energy: -2.708 local terms energy: -368.587691 where: bonds (distance) C4'-P energy: -77.494 bonds (distance) P-C4' energy: -85.307 flat angles C4'-P-C4' energy: -96.470 flat angles P-C4'-P energy: -56.951 tors. eta vs tors. theta energy: -52.365 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: 10 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -968.401699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.401699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.401699 (E_RNA) where: Base-Base interactions energy: -578.371 where: short stacking energy: -295.551 Base-Backbone interact. energy: -2.540 local terms energy: -387.490739 where: bonds (distance) C4'-P energy: -73.765 bonds (distance) P-C4' energy: -93.567 flat angles C4'-P-C4' energy: -91.026 flat angles P-C4'-P energy: -59.476 tors. eta vs tors. theta energy: -69.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -638.658991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.658991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.658991 (E_RNA) where: Base-Base interactions energy: -337.012 where: short stacking energy: -186.644 Base-Backbone interact. energy: 2.303 local terms energy: -303.950390 where: bonds (distance) C4'-P energy: -87.997 bonds (distance) P-C4' energy: -87.803 flat angles C4'-P-C4' energy: -74.661 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -6.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -615.286858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.286858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.286858 (E_RNA) where: Base-Base interactions energy: -305.176 where: short stacking energy: -222.147 Base-Backbone interact. energy: -1.586 local terms energy: -308.525401 where: bonds (distance) C4'-P energy: -61.710 bonds (distance) P-C4' energy: -94.534 flat angles C4'-P-C4' energy: -77.773 flat angles P-C4'-P energy: -58.921 tors. eta vs tors. theta energy: -15.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -595.956887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.956887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.956887 (E_RNA) where: Base-Base interactions energy: -305.078 where: short stacking energy: -174.053 Base-Backbone interact. energy: 2.105 local terms energy: -292.983898 where: bonds (distance) C4'-P energy: -88.226 bonds (distance) P-C4' energy: -97.280 flat angles C4'-P-C4' energy: -61.696 flat angles P-C4'-P energy: -47.260 tors. eta vs tors. theta energy: 1.479 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: 5 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -403.621669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.621669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.621669 (E_RNA) where: Base-Base interactions energy: -140.971 where: short stacking energy: -112.977 Base-Backbone interact. energy: -0.533 local terms energy: -262.118430 where: bonds (distance) C4'-P energy: -77.115 bonds (distance) P-C4' energy: -80.645 flat angles C4'-P-C4' energy: -69.780 flat angles P-C4'-P energy: -43.037 tors. eta vs tors. theta energy: 8.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -427.378611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.378611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.378611 (E_RNA) where: Base-Base interactions energy: -189.477 where: short stacking energy: -111.129 Base-Backbone interact. energy: -0.277 local terms energy: -237.624166 where: bonds (distance) C4'-P energy: -70.620 bonds (distance) P-C4' energy: -83.624 flat angles C4'-P-C4' energy: -65.866 flat angles P-C4'-P energy: -15.260 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1304.167303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.167303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.167303 (E_RNA) where: Base-Base interactions energy: -809.414 where: short stacking energy: -401.189 Base-Backbone interact. energy: -1.069 local terms energy: -493.684283 where: bonds (distance) C4'-P energy: -105.639 bonds (distance) P-C4' energy: -94.514 flat angles C4'-P-C4' energy: -108.644 flat angles P-C4'-P energy: -66.547 tors. eta vs tors. theta energy: -118.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1136.595443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.595443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.595443 (E_RNA) where: Base-Base interactions energy: -696.115 where: short stacking energy: -361.115 Base-Backbone interact. energy: -3.269 local terms energy: -437.211407 where: bonds (distance) C4'-P energy: -85.688 bonds (distance) P-C4' energy: -91.804 flat angles C4'-P-C4' energy: -101.200 flat angles P-C4'-P energy: -58.065 tors. eta vs tors. theta energy: -100.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1062.798143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.798143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.798143 (E_RNA) where: Base-Base interactions energy: -660.148 where: short stacking energy: -318.211 Base-Backbone interact. energy: 0.114 local terms energy: -402.764769 where: bonds (distance) C4'-P energy: -79.116 bonds (distance) P-C4' energy: -99.581 flat angles C4'-P-C4' energy: -91.648 flat angles P-C4'-P energy: -56.853 tors. eta vs tors. theta energy: -75.567 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: 10 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1021.508462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.508462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.508462 (E_RNA) where: Base-Base interactions energy: -612.664 where: short stacking energy: -292.107 Base-Backbone interact. energy: -1.347 local terms energy: -407.496904 where: bonds (distance) C4'-P energy: -104.677 bonds (distance) P-C4' energy: -78.257 flat angles C4'-P-C4' energy: -95.072 flat angles P-C4'-P energy: -63.248 tors. eta vs tors. theta energy: -66.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -801.703277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.703277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.703277 (E_RNA) where: Base-Base interactions energy: -446.097 where: short stacking energy: -240.398 Base-Backbone interact. energy: 1.290 local terms energy: -356.895983 where: bonds (distance) C4'-P energy: -83.591 bonds (distance) P-C4' energy: -94.214 flat angles C4'-P-C4' energy: -83.465 flat angles P-C4'-P energy: -60.017 tors. eta vs tors. theta energy: -35.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -680.407302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.407302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.407302 (E_RNA) where: Base-Base interactions energy: -341.530 where: short stacking energy: -213.878 Base-Backbone interact. energy: -1.010 local terms energy: -337.866547 where: bonds (distance) C4'-P energy: -77.964 bonds (distance) P-C4' energy: -102.129 flat angles C4'-P-C4' energy: -72.914 flat angles P-C4'-P energy: -41.316 tors. eta vs tors. theta energy: -43.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -586.607422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.607422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.607422 (E_RNA) where: Base-Base interactions energy: -257.645 where: short stacking energy: -168.445 Base-Backbone interact. energy: -1.119 local terms energy: -327.842754 where: bonds (distance) C4'-P energy: -92.598 bonds (distance) P-C4' energy: -108.578 flat angles C4'-P-C4' energy: -72.472 flat angles P-C4'-P energy: -41.673 tors. eta vs tors. theta energy: -12.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -523.340470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.340470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.340470 (E_RNA) where: Base-Base interactions energy: -252.084 where: short stacking energy: -152.707 Base-Backbone interact. energy: 1.473 local terms energy: -272.729987 where: bonds (distance) C4'-P energy: -67.239 bonds (distance) P-C4' energy: -87.594 flat angles C4'-P-C4' energy: -69.730 flat angles P-C4'-P energy: -41.005 tors. eta vs tors. theta energy: -7.161 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: 9, replica: 5 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -415.099600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.099600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.099600 (E_RNA) where: Base-Base interactions energy: -147.077 where: short stacking energy: -132.874 Base-Backbone interact. energy: 3.082 local terms energy: -271.104066 where: bonds (distance) C4'-P energy: -90.428 bonds (distance) P-C4' energy: -74.186 flat angles C4'-P-C4' energy: -75.346 flat angles P-C4'-P energy: -39.575 tors. eta vs tors. theta energy: 8.431 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: 21 Temperature: 1.350000 Total energy: -363.281662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.281662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.281662 (E_RNA) where: Base-Base interactions energy: -134.428 where: short stacking energy: -89.890 Base-Backbone interact. energy: -3.568 local terms energy: -225.286435 where: bonds (distance) C4'-P energy: -72.296 bonds (distance) P-C4' energy: -76.159 flat angles C4'-P-C4' energy: -73.328 flat angles P-C4'-P energy: -26.623 tors. eta vs tors. theta energy: 23.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1339.418707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.418707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.418707 (E_RNA) where: Base-Base interactions energy: -845.698 where: short stacking energy: -435.654 Base-Backbone interact. energy: -1.422 local terms energy: -492.298704 where: bonds (distance) C4'-P energy: -102.244 bonds (distance) P-C4' energy: -98.717 flat angles C4'-P-C4' energy: -107.769 flat angles P-C4'-P energy: -61.966 tors. eta vs tors. theta energy: -121.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1171.818648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.818648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.818648 (E_RNA) where: Base-Base interactions energy: -718.607 where: short stacking energy: -384.616 Base-Backbone interact. energy: -2.251 local terms energy: -450.961367 where: bonds (distance) C4'-P energy: -86.033 bonds (distance) P-C4' energy: -96.548 flat angles C4'-P-C4' energy: -96.485 flat angles P-C4'-P energy: -70.814 tors. eta vs tors. theta energy: -101.081 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: 10 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1155.554975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.554975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.554975 (E_RNA) where: Base-Base interactions energy: -716.401 where: short stacking energy: -362.106 Base-Backbone interact. energy: 0.015 local terms energy: -439.168929 where: bonds (distance) C4'-P energy: -88.434 bonds (distance) P-C4' energy: -92.433 flat angles C4'-P-C4' energy: -91.887 flat angles P-C4'-P energy: -72.835 tors. eta vs tors. theta energy: -93.581 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: 8 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1065.660118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.660118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.660118 (E_RNA) where: Base-Base interactions energy: -648.574 where: short stacking energy: -311.763 Base-Backbone interact. energy: -1.775 local terms energy: -415.311735 where: bonds (distance) C4'-P energy: -102.848 bonds (distance) P-C4' energy: -84.990 flat angles C4'-P-C4' energy: -93.839 flat angles P-C4'-P energy: -61.487 tors. eta vs tors. theta energy: -72.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -861.734010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.734010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.734010 (E_RNA) where: Base-Base interactions energy: -487.266 where: short stacking energy: -277.951 Base-Backbone interact. energy: 0.297 local terms energy: -374.765069 where: bonds (distance) C4'-P energy: -75.525 bonds (distance) P-C4' energy: -92.031 flat angles C4'-P-C4' energy: -90.608 flat angles P-C4'-P energy: -52.397 tors. eta vs tors. theta energy: -64.204 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: 6, replica: 1 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -676.760344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.760344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.760344 (E_RNA) where: Base-Base interactions energy: -335.621 where: short stacking energy: -210.685 Base-Backbone interact. energy: -1.048 local terms energy: -340.091187 where: bonds (distance) C4'-P energy: -84.863 bonds (distance) P-C4' energy: -80.367 flat angles C4'-P-C4' energy: -103.793 flat angles P-C4'-P energy: -49.744 tors. eta vs tors. theta energy: -21.325 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: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -619.709029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.709029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.709029 (E_RNA) where: Base-Base interactions energy: -320.236 where: short stacking energy: -191.051 Base-Backbone interact. energy: -0.531 local terms energy: -298.942843 where: bonds (distance) C4'-P energy: -72.444 bonds (distance) P-C4' energy: -93.921 flat angles C4'-P-C4' energy: -74.956 flat angles P-C4'-P energy: -43.634 tors. eta vs tors. theta energy: -13.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -509.277248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.277248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.277248 (E_RNA) where: Base-Base interactions energy: -210.386 where: short stacking energy: -125.395 Base-Backbone interact. energy: -3.875 local terms energy: -295.017144 where: bonds (distance) C4'-P energy: -91.334 bonds (distance) P-C4' energy: -102.106 flat angles C4'-P-C4' energy: -57.719 flat angles P-C4'-P energy: -47.618 tors. eta vs tors. theta energy: 3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -395.326955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.326955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.326955 (E_RNA) where: Base-Base interactions energy: -136.798 where: short stacking energy: -114.487 Base-Backbone interact. energy: -1.923 local terms energy: -256.605443 where: bonds (distance) C4'-P energy: -85.262 bonds (distance) P-C4' energy: -66.541 flat angles C4'-P-C4' energy: -67.520 flat angles P-C4'-P energy: -43.811 tors. eta vs tors. theta energy: 6.528 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: 5 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -376.231408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.231408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.231408 (E_RNA) where: Base-Base interactions energy: -151.371 where: short stacking energy: -121.717 Base-Backbone interact. energy: 2.853 local terms energy: -227.713808 where: bonds (distance) C4'-P energy: -71.116 bonds (distance) P-C4' energy: -80.357 flat angles C4'-P-C4' energy: -58.416 flat angles P-C4'-P energy: -37.237 tors. eta vs tors. theta energy: 19.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1356.014875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.014875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.014875 (E_RNA) where: Base-Base interactions energy: -868.474 where: short stacking energy: -439.539 Base-Backbone interact. energy: -1.145 local terms energy: -486.395313 where: bonds (distance) C4'-P energy: -93.209 bonds (distance) P-C4' energy: -94.270 flat angles C4'-P-C4' energy: -100.377 flat angles P-C4'-P energy: -71.627 tors. eta vs tors. theta energy: -126.912 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: 2, replica: 6 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1195.062889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.062889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.062889 (E_RNA) where: Base-Base interactions energy: -734.245 where: short stacking energy: -389.383 Base-Backbone interact. energy: -1.338 local terms energy: -459.479940 where: bonds (distance) C4'-P energy: -76.588 bonds (distance) P-C4' energy: -95.101 flat angles C4'-P-C4' energy: -105.451 flat angles P-C4'-P energy: -61.253 tors. eta vs tors. theta energy: -121.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1123.883600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.883600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.883600 (E_RNA) where: Base-Base interactions energy: -719.347 where: short stacking energy: -326.768 Base-Backbone interact. energy: -2.504 local terms energy: -402.032884 where: bonds (distance) C4'-P energy: -97.828 bonds (distance) P-C4' energy: -85.516 flat angles C4'-P-C4' energy: -82.195 flat angles P-C4'-P energy: -52.517 tors. eta vs tors. theta energy: -83.976 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: 8 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1054.193166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.193166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.193166 (E_RNA) where: Base-Base interactions energy: -614.846 where: short stacking energy: -314.743 Base-Backbone interact. energy: -2.088 local terms energy: -437.259313 where: bonds (distance) C4'-P energy: -91.697 bonds (distance) P-C4' energy: -99.467 flat angles C4'-P-C4' energy: -100.548 flat angles P-C4'-P energy: -63.472 tors. eta vs tors. theta energy: -82.075 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: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -798.882803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.882803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.882803 (E_RNA) where: Base-Base interactions energy: -444.462 where: short stacking energy: -235.875 Base-Backbone interact. energy: -0.791 local terms energy: -353.629239 where: bonds (distance) C4'-P energy: -77.297 bonds (distance) P-C4' energy: -91.231 flat angles C4'-P-C4' energy: -84.354 flat angles P-C4'-P energy: -54.317 tors. eta vs tors. theta energy: -46.430 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: 1 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -653.065199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.065199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.065199 (E_RNA) where: Base-Base interactions energy: -305.159 where: short stacking energy: -181.170 Base-Backbone interact. energy: -0.637 local terms energy: -347.269320 where: bonds (distance) C4'-P energy: -88.238 bonds (distance) P-C4' energy: -93.580 flat angles C4'-P-C4' energy: -100.000 flat angles P-C4'-P energy: -44.296 tors. eta vs tors. theta energy: -21.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -658.752370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.752370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.752370 (E_RNA) where: Base-Base interactions energy: -300.434 where: short stacking energy: -206.123 Base-Backbone interact. energy: -0.846 local terms energy: -357.471673 where: bonds (distance) C4'-P energy: -78.825 bonds (distance) P-C4' energy: -95.431 flat angles C4'-P-C4' energy: -83.256 flat angles P-C4'-P energy: -69.262 tors. eta vs tors. theta energy: -30.698 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: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -436.912674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.912674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.912674 (E_RNA) where: Base-Base interactions energy: -164.430 where: short stacking energy: -136.076 Base-Backbone interact. energy: -1.534 local terms energy: -270.948523 where: bonds (distance) C4'-P energy: -74.950 bonds (distance) P-C4' energy: -88.562 flat angles C4'-P-C4' energy: -67.735 flat angles P-C4'-P energy: -38.731 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -503.167345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.167345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.167345 (E_RNA) where: Base-Base interactions energy: -229.058 where: short stacking energy: -117.797 Base-Backbone interact. energy: -0.264 local terms energy: -273.844936 where: bonds (distance) C4'-P energy: -85.331 bonds (distance) P-C4' energy: -80.133 flat angles C4'-P-C4' energy: -67.491 flat angles P-C4'-P energy: -56.104 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: 10, replica: 5 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -392.018126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.018126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.018126 (E_RNA) where: Base-Base interactions energy: -150.334 where: short stacking energy: -95.613 Base-Backbone interact. energy: 4.349 local terms energy: -246.033263 where: bonds (distance) C4'-P energy: -80.452 bonds (distance) P-C4' energy: -72.440 flat angles C4'-P-C4' energy: -68.100 flat angles P-C4'-P energy: -45.730 tors. eta vs tors. theta energy: 20.689 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: 1, replica: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1377.011359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.011359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.011359 (E_RNA) where: Base-Base interactions energy: -886.596 where: short stacking energy: -426.168 Base-Backbone interact. energy: -2.998 local terms energy: -487.416629 where: bonds (distance) C4'-P energy: -104.180 bonds (distance) P-C4' energy: -96.271 flat angles C4'-P-C4' energy: -102.911 flat angles P-C4'-P energy: -69.845 tors. eta vs tors. theta energy: -114.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1167.399285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.399285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.399285 (E_RNA) where: Base-Base interactions energy: -721.978 where: short stacking energy: -386.375 Base-Backbone interact. energy: -4.532 local terms energy: -440.889372 where: bonds (distance) C4'-P energy: -91.058 bonds (distance) P-C4' energy: -98.309 flat angles C4'-P-C4' energy: -97.497 flat angles P-C4'-P energy: -54.246 tors. eta vs tors. theta energy: -99.779 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: 8 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1083.853280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.853280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.853280 (E_RNA) where: Base-Base interactions energy: -668.551 where: short stacking energy: -312.002 Base-Backbone interact. energy: -0.297 local terms energy: -415.004869 where: bonds (distance) C4'-P energy: -93.113 bonds (distance) P-C4' energy: -90.266 flat angles C4'-P-C4' energy: -91.251 flat angles P-C4'-P energy: -69.807 tors. eta vs tors. theta energy: -70.568 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: 10 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1083.589125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.589125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.589125 (E_RNA) where: Base-Base interactions energy: -688.536 where: short stacking energy: -317.510 Base-Backbone interact. energy: -3.613 local terms energy: -391.440208 where: bonds (distance) C4'-P energy: -80.151 bonds (distance) P-C4' energy: -85.151 flat angles C4'-P-C4' energy: -92.535 flat angles P-C4'-P energy: -53.833 tors. eta vs tors. theta energy: -79.770 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: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -817.070054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.070054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.070054 (E_RNA) where: Base-Base interactions energy: -448.756 where: short stacking energy: -281.982 Base-Backbone interact. energy: -1.897 local terms energy: -366.417181 where: bonds (distance) C4'-P energy: -87.439 bonds (distance) P-C4' energy: -88.707 flat angles C4'-P-C4' energy: -90.676 flat angles P-C4'-P energy: -45.126 tors. eta vs tors. theta energy: -54.469 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: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -734.578893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.578893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.578893 (E_RNA) where: Base-Base interactions energy: -385.754 where: short stacking energy: -249.262 Base-Backbone interact. energy: 1.920 local terms energy: -350.745187 where: bonds (distance) C4'-P energy: -72.986 bonds (distance) P-C4' energy: -85.450 flat angles C4'-P-C4' energy: -84.321 flat angles P-C4'-P energy: -63.522 tors. eta vs tors. theta energy: -44.466 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: 7, replica: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -635.049045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.049045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.049045 (E_RNA) where: Base-Base interactions energy: -307.459 where: short stacking energy: -184.400 Base-Backbone interact. energy: -1.608 local terms energy: -325.981572 where: bonds (distance) C4'-P energy: -76.954 bonds (distance) P-C4' energy: -101.312 flat angles C4'-P-C4' energy: -76.563 flat angles P-C4'-P energy: -44.026 tors. eta vs tors. theta energy: -27.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -451.864888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.864888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.864888 (E_RNA) where: Base-Base interactions energy: -194.616 where: short stacking energy: -155.838 Base-Backbone interact. energy: 0.603 local terms energy: -257.852372 where: bonds (distance) C4'-P energy: -86.244 bonds (distance) P-C4' energy: -76.156 flat angles C4'-P-C4' energy: -63.623 flat angles P-C4'-P energy: -34.711 tors. eta vs tors. theta energy: 2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -451.438328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.438328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.438328 (E_RNA) where: Base-Base interactions energy: -179.991 where: short stacking energy: -124.033 Base-Backbone interact. energy: -4.020 local terms energy: -267.426886 where: bonds (distance) C4'-P energy: -84.893 bonds (distance) P-C4' energy: -78.402 flat angles C4'-P-C4' energy: -69.720 flat angles P-C4'-P energy: -39.099 tors. eta vs tors. theta energy: 4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -444.818660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.818660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.818660 (E_RNA) where: Base-Base interactions energy: -209.644 where: short stacking energy: -116.444 Base-Backbone interact. energy: 1.746 local terms energy: -236.921114 where: bonds (distance) C4'-P energy: -73.144 bonds (distance) P-C4' energy: -82.142 flat angles C4'-P-C4' energy: -77.154 flat angles P-C4'-P energy: -39.908 tors. eta vs tors. theta energy: 35.427 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: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1387.123004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.123004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.123004 (E_RNA) where: Base-Base interactions energy: -887.618 where: short stacking energy: -430.105 Base-Backbone interact. energy: -1.199 local terms energy: -498.306285 where: bonds (distance) C4'-P energy: -102.951 bonds (distance) P-C4' energy: -97.825 flat angles C4'-P-C4' energy: -105.756 flat angles P-C4'-P energy: -66.884 tors. eta vs tors. theta energy: -124.890 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: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1146.472947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.472947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.472947 (E_RNA) where: Base-Base interactions energy: -706.932 where: short stacking energy: -353.775 Base-Backbone interact. energy: -1.740 local terms energy: -437.801073 where: bonds (distance) C4'-P energy: -87.762 bonds (distance) P-C4' energy: -86.607 flat angles C4'-P-C4' energy: -98.662 flat angles P-C4'-P energy: -56.386 tors. eta vs tors. theta energy: -108.384 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: 8 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1100.105300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.105300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.105300 (E_RNA) where: Base-Base interactions energy: -667.190 where: short stacking energy: -335.908 Base-Backbone interact. energy: 2.945 local terms energy: -435.860332 where: bonds (distance) C4'-P energy: -82.964 bonds (distance) P-C4' energy: -102.382 flat angles C4'-P-C4' energy: -102.788 flat angles P-C4'-P energy: -61.452 tors. eta vs tors. theta energy: -86.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1059.975604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.975604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.975604 (E_RNA) where: Base-Base interactions energy: -668.559 where: short stacking energy: -326.791 Base-Backbone interact. energy: -3.613 local terms energy: -387.803762 where: bonds (distance) C4'-P energy: -84.025 bonds (distance) P-C4' energy: -91.203 flat angles C4'-P-C4' energy: -84.147 flat angles P-C4'-P energy: -50.300 tors. eta vs tors. theta energy: -78.129 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: 5, replica: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -822.126403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.126403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.126403 (E_RNA) where: Base-Base interactions energy: -444.753 where: short stacking energy: -254.581 Base-Backbone interact. energy: 1.847 local terms energy: -379.221091 where: bonds (distance) C4'-P energy: -86.318 bonds (distance) P-C4' energy: -87.903 flat angles C4'-P-C4' energy: -95.672 flat angles P-C4'-P energy: -46.164 tors. eta vs tors. theta energy: -63.163 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: 1 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -667.969269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.969269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.969269 (E_RNA) where: Base-Base interactions energy: -336.554 where: short stacking energy: -192.460 Base-Backbone interact. energy: 8.271 local terms energy: -339.685785 where: bonds (distance) C4'-P energy: -83.595 bonds (distance) P-C4' energy: -85.748 flat angles C4'-P-C4' energy: -88.532 flat angles P-C4'-P energy: -53.981 tors. eta vs tors. theta energy: -27.830 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: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -719.118679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.118679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.118679 (E_RNA) where: Base-Base interactions energy: -423.861 where: short stacking energy: -244.044 Base-Backbone interact. energy: 1.236 local terms energy: -296.493814 where: bonds (distance) C4'-P energy: -80.644 bonds (distance) P-C4' energy: -78.938 flat angles C4'-P-C4' energy: -59.201 flat angles P-C4'-P energy: -52.048 tors. eta vs tors. theta energy: -25.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -470.128805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.128805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.128805 (E_RNA) where: Base-Base interactions energy: -188.844 where: short stacking energy: -164.428 Base-Backbone interact. energy: -3.656 local terms energy: -277.628931 where: bonds (distance) C4'-P energy: -76.460 bonds (distance) P-C4' energy: -88.313 flat angles C4'-P-C4' energy: -74.281 flat angles P-C4'-P energy: -36.613 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -457.839456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.839456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.839456 (E_RNA) where: Base-Base interactions energy: -198.621 where: short stacking energy: -119.677 Base-Backbone interact. energy: 1.279 local terms energy: -260.497253 where: bonds (distance) C4'-P energy: -92.419 bonds (distance) P-C4' energy: -96.860 flat angles C4'-P-C4' energy: -76.312 flat angles P-C4'-P energy: -17.325 tors. eta vs tors. theta energy: 22.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -466.926362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.926362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.926362 (E_RNA) where: Base-Base interactions energy: -201.651 where: short stacking energy: -124.367 Base-Backbone interact. energy: 1.525 local terms energy: -266.800859 where: bonds (distance) C4'-P energy: -80.662 bonds (distance) P-C4' energy: -87.919 flat angles C4'-P-C4' energy: -67.962 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: 12.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1387.500964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.500964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.500964 (E_RNA) where: Base-Base interactions energy: -902.586 where: short stacking energy: -421.658 Base-Backbone interact. energy: 2.859 local terms energy: -487.774298 where: bonds (distance) C4'-P energy: -98.072 bonds (distance) P-C4' energy: -91.155 flat angles C4'-P-C4' energy: -102.470 flat angles P-C4'-P energy: -71.971 tors. eta vs tors. theta energy: -124.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1206.277528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.277528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.277528 (E_RNA) where: Base-Base interactions energy: -740.712 where: short stacking energy: -408.513 Base-Backbone interact. energy: -2.961 local terms energy: -462.604420 where: bonds (distance) C4'-P energy: -92.595 bonds (distance) P-C4' energy: -99.041 flat angles C4'-P-C4' energy: -98.165 flat angles P-C4'-P energy: -59.735 tors. eta vs tors. theta energy: -113.068 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: 10 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1137.777349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.777349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.777349 (E_RNA) where: Base-Base interactions energy: -687.917 where: short stacking energy: -358.056 Base-Backbone interact. energy: -2.113 local terms energy: -447.747854 where: bonds (distance) C4'-P energy: -86.500 bonds (distance) P-C4' energy: -99.314 flat angles C4'-P-C4' energy: -96.125 flat angles P-C4'-P energy: -67.020 tors. eta vs tors. theta energy: -98.789 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: 8 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1029.415408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.415408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.415408 (E_RNA) where: Base-Base interactions energy: -610.898 where: short stacking energy: -313.881 Base-Backbone interact. energy: -2.603 local terms energy: -415.913954 where: bonds (distance) C4'-P energy: -103.373 bonds (distance) P-C4' energy: -89.977 flat angles C4'-P-C4' energy: -95.009 flat angles P-C4'-P energy: -51.588 tors. eta vs tors. theta energy: -75.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -840.483570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.483570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.483570 (E_RNA) where: Base-Base interactions energy: -469.849 where: short stacking energy: -261.253 Base-Backbone interact. energy: -1.565 local terms energy: -369.069686 where: bonds (distance) C4'-P energy: -83.990 bonds (distance) P-C4' energy: -83.135 flat angles C4'-P-C4' energy: -94.565 flat angles P-C4'-P energy: -56.138 tors. eta vs tors. theta energy: -51.242 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: 6, replica: 1 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -698.881890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.881890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.881890 (E_RNA) where: Base-Base interactions energy: -369.402 where: short stacking energy: -195.963 Base-Backbone interact. energy: -3.298 local terms energy: -326.182582 where: bonds (distance) C4'-P energy: -91.454 bonds (distance) P-C4' energy: -84.595 flat angles C4'-P-C4' energy: -80.636 flat angles P-C4'-P energy: -37.945 tors. eta vs tors. theta energy: -31.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -706.494290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.494290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.494290 (E_RNA) where: Base-Base interactions energy: -384.157 where: short stacking energy: -196.068 Base-Backbone interact. energy: -0.896 local terms energy: -321.441460 where: bonds (distance) C4'-P energy: -85.116 bonds (distance) P-C4' energy: -86.844 flat angles C4'-P-C4' energy: -84.545 flat angles P-C4'-P energy: -48.371 tors. eta vs tors. theta energy: -16.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -420.797412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.797412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.797412 (E_RNA) where: Base-Base interactions energy: -153.685 where: short stacking energy: -129.316 Base-Backbone interact. energy: -2.577 local terms energy: -264.536028 where: bonds (distance) C4'-P energy: -59.222 bonds (distance) P-C4' energy: -80.536 flat angles C4'-P-C4' energy: -80.568 flat angles P-C4'-P energy: -58.116 tors. eta vs tors. theta energy: 13.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -482.447552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.447552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.447552 (E_RNA) where: Base-Base interactions energy: -215.261 where: short stacking energy: -144.345 Base-Backbone interact. energy: 2.412 local terms energy: -269.597767 where: bonds (distance) C4'-P energy: -86.654 bonds (distance) P-C4' energy: -83.910 flat angles C4'-P-C4' energy: -57.740 flat angles P-C4'-P energy: -39.364 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: 7 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -423.470536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.470536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.470536 (E_RNA) where: Base-Base interactions energy: -195.070 where: short stacking energy: -118.586 Base-Backbone interact. energy: 1.779 local terms energy: -230.178962 where: bonds (distance) C4'-P energy: -69.097 bonds (distance) P-C4' energy: -85.050 flat angles C4'-P-C4' energy: -71.325 flat angles P-C4'-P energy: -20.234 tors. eta vs tors. theta energy: 15.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1403.326342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.326342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.326342 (E_RNA) where: Base-Base interactions energy: -904.621 where: short stacking energy: -411.989 Base-Backbone interact. energy: -0.825 local terms energy: -497.880523 where: bonds (distance) C4'-P energy: -99.449 bonds (distance) P-C4' energy: -93.995 flat angles C4'-P-C4' energy: -106.690 flat angles P-C4'-P energy: -71.982 tors. eta vs tors. theta energy: -125.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1179.251597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.251597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.251597 (E_RNA) where: Base-Base interactions energy: -718.558 where: short stacking energy: -386.364 Base-Backbone interact. energy: 0.917 local terms energy: -461.610157 where: bonds (distance) C4'-P energy: -95.703 bonds (distance) P-C4' energy: -110.888 flat angles C4'-P-C4' energy: -105.082 flat angles P-C4'-P energy: -56.020 tors. eta vs tors. theta energy: -93.917 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: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1087.928312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.928312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.928312 (E_RNA) where: Base-Base interactions energy: -660.459 where: short stacking energy: -336.867 Base-Backbone interact. energy: -0.056 local terms energy: -427.413138 where: bonds (distance) C4'-P energy: -74.448 bonds (distance) P-C4' energy: -96.499 flat angles C4'-P-C4' energy: -110.266 flat angles P-C4'-P energy: -59.399 tors. eta vs tors. theta energy: -86.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1010.859461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.859461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.859461 (E_RNA) where: Base-Base interactions energy: -610.923 where: short stacking energy: -298.050 Base-Backbone interact. energy: -1.355 local terms energy: -398.582055 where: bonds (distance) C4'-P energy: -76.902 bonds (distance) P-C4' energy: -99.265 flat angles C4'-P-C4' energy: -93.766 flat angles P-C4'-P energy: -51.638 tors. eta vs tors. theta energy: -77.011 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: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -879.449966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.449966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.449966 (E_RNA) where: Base-Base interactions energy: -502.100 where: short stacking energy: -243.312 Base-Backbone interact. energy: -1.021 local terms energy: -376.328985 where: bonds (distance) C4'-P energy: -80.779 bonds (distance) P-C4' energy: -105.444 flat angles C4'-P-C4' energy: -96.037 flat angles P-C4'-P energy: -40.423 tors. eta vs tors. theta energy: -53.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -710.891797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.891797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.891797 (E_RNA) where: Base-Base interactions energy: -370.143 where: short stacking energy: -227.054 Base-Backbone interact. energy: 4.846 local terms energy: -345.595176 where: bonds (distance) C4'-P energy: -89.368 bonds (distance) P-C4' energy: -81.848 flat angles C4'-P-C4' energy: -80.965 flat angles P-C4'-P energy: -56.513 tors. eta vs tors. theta energy: -36.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -694.365381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.365381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.365381 (E_RNA) where: Base-Base interactions energy: -357.116 where: short stacking energy: -174.537 Base-Backbone interact. energy: -2.363 local terms energy: -334.886389 where: bonds (distance) C4'-P energy: -80.373 bonds (distance) P-C4' energy: -91.179 flat angles C4'-P-C4' energy: -87.482 flat angles P-C4'-P energy: -52.212 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: 8, replica: 5 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -586.823760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.823760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.823760 (E_RNA) where: Base-Base interactions energy: -284.020 where: short stacking energy: -169.589 Base-Backbone interact. energy: 0.455 local terms energy: -303.258845 where: bonds (distance) C4'-P energy: -90.689 bonds (distance) P-C4' energy: -93.090 flat angles C4'-P-C4' energy: -76.005 flat angles P-C4'-P energy: -40.597 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -456.503266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.503266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.503266 (E_RNA) where: Base-Base interactions energy: -176.625 where: short stacking energy: -122.604 Base-Backbone interact. energy: -0.078 local terms energy: -279.800762 where: bonds (distance) C4'-P energy: -77.990 bonds (distance) P-C4' energy: -86.912 flat angles C4'-P-C4' energy: -80.173 flat angles P-C4'-P energy: -37.690 tors. eta vs tors. theta energy: 2.965 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: 7 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -451.094188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.094188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.094188 (E_RNA) where: Base-Base interactions energy: -212.956 where: short stacking energy: -132.524 Base-Backbone interact. energy: -1.520 local terms energy: -236.617477 where: bonds (distance) C4'-P energy: -69.230 bonds (distance) P-C4' energy: -77.884 flat angles C4'-P-C4' energy: -60.583 flat angles P-C4'-P energy: -36.142 tors. eta vs tors. theta energy: 7.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1410.658126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.658126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.658126 (E_RNA) where: Base-Base interactions energy: -922.402 where: short stacking energy: -447.114 Base-Backbone interact. energy: -0.973 local terms energy: -487.283678 where: bonds (distance) C4'-P energy: -91.492 bonds (distance) P-C4' energy: -89.517 flat angles C4'-P-C4' energy: -98.657 flat angles P-C4'-P energy: -77.457 tors. eta vs tors. theta energy: -130.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1180.297131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.297131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.297131 (E_RNA) where: Base-Base interactions energy: -697.255 where: short stacking energy: -377.322 Base-Backbone interact. energy: -3.331 local terms energy: -479.711861 where: bonds (distance) C4'-P energy: -95.871 bonds (distance) P-C4' energy: -94.608 flat angles C4'-P-C4' energy: -119.531 flat angles P-C4'-P energy: -67.017 tors. eta vs tors. theta energy: -102.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1100.831606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.831606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.831606 (E_RNA) where: Base-Base interactions energy: -671.902 where: short stacking energy: -335.330 Base-Backbone interact. energy: -3.073 local terms energy: -425.856615 where: bonds (distance) C4'-P energy: -88.590 bonds (distance) P-C4' energy: -98.477 flat angles C4'-P-C4' energy: -98.746 flat angles P-C4'-P energy: -59.156 tors. eta vs tors. theta energy: -80.888 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: 4, replica: 8 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1052.985774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.985774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.985774 (E_RNA) where: Base-Base interactions energy: -634.867 where: short stacking energy: -296.357 Base-Backbone interact. energy: -3.111 local terms energy: -415.007701 where: bonds (distance) C4'-P energy: -86.668 bonds (distance) P-C4' energy: -99.665 flat angles C4'-P-C4' energy: -97.983 flat angles P-C4'-P energy: -51.300 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: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -843.074352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.074352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.074352 (E_RNA) where: Base-Base interactions energy: -450.486 where: short stacking energy: -270.538 Base-Backbone interact. energy: 0.560 local terms energy: -393.148032 where: bonds (distance) C4'-P energy: -80.888 bonds (distance) P-C4' energy: -95.268 flat angles C4'-P-C4' energy: -90.449 flat angles P-C4'-P energy: -66.845 tors. eta vs tors. theta energy: -59.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -695.774972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.774972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.774972 (E_RNA) where: Base-Base interactions energy: -357.459 where: short stacking energy: -223.503 Base-Backbone interact. energy: -0.693 local terms energy: -337.623099 where: bonds (distance) C4'-P energy: -74.309 bonds (distance) P-C4' energy: -82.056 flat angles C4'-P-C4' energy: -92.723 flat angles P-C4'-P energy: -55.643 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: 7, replica: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -742.474330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.474330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.474330 (E_RNA) where: Base-Base interactions energy: -433.808 where: short stacking energy: -231.347 Base-Backbone interact. energy: -0.076 local terms energy: -308.590426 where: bonds (distance) C4'-P energy: -90.091 bonds (distance) P-C4' energy: -57.945 flat angles C4'-P-C4' energy: -84.242 flat angles P-C4'-P energy: -47.950 tors. eta vs tors. theta energy: -28.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -564.699908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.699908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.699908 (E_RNA) where: Base-Base interactions energy: -278.119 where: short stacking energy: -144.843 Base-Backbone interact. energy: 0.448 local terms energy: -287.029019 where: bonds (distance) C4'-P energy: -83.867 bonds (distance) P-C4' energy: -78.547 flat angles C4'-P-C4' energy: -80.447 flat angles P-C4'-P energy: -48.902 tors. eta vs tors. theta energy: 4.734 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: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -498.395887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.395887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.395887 (E_RNA) where: Base-Base interactions energy: -224.501 where: short stacking energy: -157.929 Base-Backbone interact. energy: 7.742 local terms energy: -281.636951 where: bonds (distance) C4'-P energy: -79.409 bonds (distance) P-C4' energy: -69.451 flat angles C4'-P-C4' energy: -78.722 flat angles P-C4'-P energy: -43.548 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: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -370.514884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.514884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.514884 (E_RNA) where: Base-Base interactions energy: -153.435 where: short stacking energy: -116.012 Base-Backbone interact. energy: 2.473 local terms energy: -219.552853 where: bonds (distance) C4'-P energy: -68.275 bonds (distance) P-C4' energy: -65.147 flat angles C4'-P-C4' energy: -68.202 flat angles P-C4'-P energy: -31.966 tors. eta vs tors. theta energy: 14.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1392.238642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.238642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.238642 (E_RNA) where: Base-Base interactions energy: -887.487 where: short stacking energy: -443.272 Base-Backbone interact. energy: -2.668 local terms energy: -502.083539 where: bonds (distance) C4'-P energy: -100.658 bonds (distance) P-C4' energy: -97.227 flat angles C4'-P-C4' energy: -104.777 flat angles P-C4'-P energy: -72.097 tors. eta vs tors. theta energy: -127.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1199.778142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.778142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.778142 (E_RNA) where: Base-Base interactions energy: -744.046 where: short stacking energy: -384.556 Base-Backbone interact. energy: 0.173 local terms energy: -455.905904 where: bonds (distance) C4'-P energy: -98.503 bonds (distance) P-C4' energy: -96.431 flat angles C4'-P-C4' energy: -102.433 flat angles P-C4'-P energy: -61.925 tors. eta vs tors. theta energy: -96.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1114.133936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.133936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.133936 (E_RNA) where: Base-Base interactions energy: -690.340 where: short stacking energy: -345.474 Base-Backbone interact. energy: -4.304 local terms energy: -419.489964 where: bonds (distance) C4'-P energy: -80.607 bonds (distance) P-C4' energy: -96.987 flat angles C4'-P-C4' energy: -72.950 flat angles P-C4'-P energy: -59.683 tors. eta vs tors. theta energy: -109.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1033.156911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.156911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.156911 (E_RNA) where: Base-Base interactions energy: -629.580 where: short stacking energy: -345.635 Base-Backbone interact. energy: -2.690 local terms energy: -400.886042 where: bonds (distance) C4'-P energy: -87.937 bonds (distance) P-C4' energy: -85.210 flat angles C4'-P-C4' energy: -86.396 flat angles P-C4'-P energy: -58.345 tors. eta vs tors. theta energy: -82.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -868.399768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.399768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.399768 (E_RNA) where: Base-Base interactions energy: -484.241 where: short stacking energy: -272.717 Base-Backbone interact. energy: 3.671 local terms energy: -387.830359 where: bonds (distance) C4'-P energy: -83.490 bonds (distance) P-C4' energy: -90.649 flat angles C4'-P-C4' energy: -82.475 flat angles P-C4'-P energy: -64.696 tors. eta vs tors. theta energy: -66.520 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: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -863.565760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.565760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.565760 (E_RNA) where: Base-Base interactions energy: -491.968 where: short stacking energy: -260.434 Base-Backbone interact. energy: -0.904 local terms energy: -370.693533 where: bonds (distance) C4'-P energy: -80.381 bonds (distance) P-C4' energy: -100.866 flat angles C4'-P-C4' energy: -90.047 flat angles P-C4'-P energy: -40.738 tors. eta vs tors. theta energy: -58.661 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: 1 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -637.387234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.387234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.387234 (E_RNA) where: Base-Base interactions energy: -337.068 where: short stacking energy: -170.768 Base-Backbone interact. energy: 0.323 local terms energy: -300.642400 where: bonds (distance) C4'-P energy: -77.202 bonds (distance) P-C4' energy: -85.174 flat angles C4'-P-C4' energy: -84.939 flat angles P-C4'-P energy: -51.279 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -511.048619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.048619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.048619 (E_RNA) where: Base-Base interactions energy: -234.085 where: short stacking energy: -147.934 Base-Backbone interact. energy: -3.216 local terms energy: -273.747863 where: bonds (distance) C4'-P energy: -77.908 bonds (distance) P-C4' energy: -78.246 flat angles C4'-P-C4' energy: -79.817 flat angles P-C4'-P energy: -28.358 tors. eta vs tors. theta energy: -9.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -526.790829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.790829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.790829 (E_RNA) where: Base-Base interactions energy: -232.025 where: short stacking energy: -145.030 Base-Backbone interact. energy: -1.405 local terms energy: -293.360557 where: bonds (distance) C4'-P energy: -88.450 bonds (distance) P-C4' energy: -86.688 flat angles C4'-P-C4' energy: -85.619 flat angles P-C4'-P energy: -38.841 tors. eta vs tors. theta energy: 6.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -404.930967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.930967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.930967 (E_RNA) where: Base-Base interactions energy: -206.220 where: short stacking energy: -143.202 Base-Backbone interact. energy: -2.091 local terms energy: -196.620514 where: bonds (distance) C4'-P energy: -45.970 bonds (distance) P-C4' energy: -78.264 flat angles C4'-P-C4' energy: -51.857 flat angles P-C4'-P energy: -30.683 tors. eta vs tors. theta energy: 10.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1398.662222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.662222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.662222 (E_RNA) where: Base-Base interactions energy: -917.847 where: short stacking energy: -418.539 Base-Backbone interact. energy: -0.947 local terms energy: -479.868116 where: bonds (distance) C4'-P energy: -101.364 bonds (distance) P-C4' energy: -84.505 flat angles C4'-P-C4' energy: -97.011 flat angles P-C4'-P energy: -73.062 tors. eta vs tors. theta energy: -123.927 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: 10 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1192.666551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.666551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.666551 (E_RNA) where: Base-Base interactions energy: -736.144 where: short stacking energy: -392.530 Base-Backbone interact. energy: 1.039 local terms energy: -457.561677 where: bonds (distance) C4'-P energy: -92.314 bonds (distance) P-C4' energy: -92.226 flat angles C4'-P-C4' energy: -101.236 flat angles P-C4'-P energy: -71.243 tors. eta vs tors. theta energy: -100.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1114.927196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.927196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.927196 (E_RNA) where: Base-Base interactions energy: -689.162 where: short stacking energy: -343.903 Base-Backbone interact. energy: -1.480 local terms energy: -424.285000 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -94.221 flat angles C4'-P-C4' energy: -91.011 flat angles P-C4'-P energy: -65.747 tors. eta vs tors. theta energy: -87.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1071.720691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.720691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.720691 (E_RNA) where: Base-Base interactions energy: -653.207 where: short stacking energy: -353.077 Base-Backbone interact. energy: -1.964 local terms energy: -416.549785 where: bonds (distance) C4'-P energy: -83.596 bonds (distance) P-C4' energy: -81.907 flat angles C4'-P-C4' energy: -98.530 flat angles P-C4'-P energy: -59.302 tors. eta vs tors. theta energy: -93.215 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: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -909.808416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.808416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.808416 (E_RNA) where: Base-Base interactions energy: -506.918 where: short stacking energy: -272.621 Base-Backbone interact. energy: 0.689 local terms energy: -403.580012 where: bonds (distance) C4'-P energy: -88.735 bonds (distance) P-C4' energy: -95.761 flat angles C4'-P-C4' energy: -94.451 flat angles P-C4'-P energy: -56.277 tors. eta vs tors. theta energy: -68.355 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: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -851.681248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.681248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.681248 (E_RNA) where: Base-Base interactions energy: -498.665 where: short stacking energy: -283.149 Base-Backbone interact. energy: 3.182 local terms energy: -356.198103 where: bonds (distance) C4'-P energy: -74.522 bonds (distance) P-C4' energy: -92.579 flat angles C4'-P-C4' energy: -85.538 flat angles P-C4'-P energy: -51.709 tors. eta vs tors. theta energy: -51.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -692.586339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.586339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.586339 (E_RNA) where: Base-Base interactions energy: -356.398 where: short stacking energy: -176.769 Base-Backbone interact. energy: 5.489 local terms energy: -341.676982 where: bonds (distance) C4'-P energy: -90.152 bonds (distance) P-C4' energy: -100.194 flat angles C4'-P-C4' energy: -93.340 flat angles P-C4'-P energy: -27.839 tors. eta vs tors. theta energy: -30.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -517.797305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.797305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.797305 (E_RNA) where: Base-Base interactions energy: -241.207 where: short stacking energy: -165.138 Base-Backbone interact. energy: -0.473 local terms energy: -276.117553 where: bonds (distance) C4'-P energy: -87.838 bonds (distance) P-C4' energy: -90.137 flat angles C4'-P-C4' energy: -64.336 flat angles P-C4'-P energy: -41.474 tors. eta vs tors. theta energy: 7.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -490.002329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.002329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.002329 (E_RNA) where: Base-Base interactions energy: -210.132 where: short stacking energy: -143.049 Base-Backbone interact. energy: 4.724 local terms energy: -284.594476 where: bonds (distance) C4'-P energy: -75.893 bonds (distance) P-C4' energy: -97.108 flat angles C4'-P-C4' energy: -67.084 flat angles P-C4'-P energy: -37.358 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: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -444.633970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.633970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.633970 (E_RNA) where: Base-Base interactions energy: -166.495 where: short stacking energy: -114.059 Base-Backbone interact. energy: -0.110 local terms energy: -278.029328 where: bonds (distance) C4'-P energy: -82.013 bonds (distance) P-C4' energy: -85.954 flat angles C4'-P-C4' energy: -75.877 flat angles P-C4'-P energy: -39.538 tors. eta vs tors. theta energy: 5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1382.052284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.052284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.052284 (E_RNA) where: Base-Base interactions energy: -896.626 where: short stacking energy: -431.300 Base-Backbone interact. energy: 0.981 local terms energy: -486.406826 where: bonds (distance) C4'-P energy: -96.643 bonds (distance) P-C4' energy: -99.384 flat angles C4'-P-C4' energy: -97.910 flat angles P-C4'-P energy: -67.770 tors. eta vs tors. theta energy: -124.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1242.335402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.335402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.335402 (E_RNA) where: Base-Base interactions energy: -769.045 where: short stacking energy: -411.043 Base-Backbone interact. energy: -5.015 local terms energy: -468.275175 where: bonds (distance) C4'-P energy: -99.298 bonds (distance) P-C4' energy: -95.299 flat angles C4'-P-C4' energy: -94.775 flat angles P-C4'-P energy: -59.253 tors. eta vs tors. theta energy: -119.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1114.196046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.196046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.196046 (E_RNA) where: Base-Base interactions energy: -678.108 where: short stacking energy: -352.463 Base-Backbone interact. energy: -5.637 local terms energy: -430.451041 where: bonds (distance) C4'-P energy: -82.291 bonds (distance) P-C4' energy: -88.845 flat angles C4'-P-C4' energy: -101.677 flat angles P-C4'-P energy: -70.667 tors. eta vs tors. theta energy: -86.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1073.103624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.103624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.103624 (E_RNA) where: Base-Base interactions energy: -697.895 where: short stacking energy: -334.196 Base-Backbone interact. energy: -3.601 local terms energy: -371.607330 where: bonds (distance) C4'-P energy: -74.529 bonds (distance) P-C4' energy: -86.012 flat angles C4'-P-C4' energy: -87.769 flat angles P-C4'-P energy: -52.754 tors. eta vs tors. theta energy: -70.543 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: 4 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -899.480016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.480016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.480016 (E_RNA) where: Base-Base interactions energy: -528.287 where: short stacking energy: -270.754 Base-Backbone interact. energy: -2.295 local terms energy: -368.898581 where: bonds (distance) C4'-P energy: -77.923 bonds (distance) P-C4' energy: -104.046 flat angles C4'-P-C4' energy: -84.458 flat angles P-C4'-P energy: -47.720 tors. eta vs tors. theta energy: -54.752 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: 6, replica: 3 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -852.677101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.677101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.677101 (E_RNA) where: Base-Base interactions energy: -504.095 where: short stacking energy: -263.062 Base-Backbone interact. energy: 2.796 local terms energy: -351.377733 where: bonds (distance) C4'-P energy: -76.173 bonds (distance) P-C4' energy: -80.795 flat angles C4'-P-C4' energy: -84.661 flat angles P-C4'-P energy: -50.523 tors. eta vs tors. theta energy: -59.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -701.527526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.527526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.527526 (E_RNA) where: Base-Base interactions energy: -396.069 where: short stacking energy: -204.653 Base-Backbone interact. energy: 5.404 local terms energy: -310.862872 where: bonds (distance) C4'-P energy: -77.264 bonds (distance) P-C4' energy: -97.371 flat angles C4'-P-C4' energy: -72.262 flat angles P-C4'-P energy: -38.783 tors. eta vs tors. theta energy: -25.184 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: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -509.570886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.570886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.570886 (E_RNA) where: Base-Base interactions energy: -239.653 where: short stacking energy: -150.101 Base-Backbone interact. energy: 2.731 local terms energy: -272.648777 where: bonds (distance) C4'-P energy: -81.717 bonds (distance) P-C4' energy: -87.890 flat angles C4'-P-C4' energy: -64.710 flat angles P-C4'-P energy: -32.509 tors. eta vs tors. theta energy: -5.822 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: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -475.079479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.079479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.079479 (E_RNA) where: Base-Base interactions energy: -183.278 where: short stacking energy: -130.814 Base-Backbone interact. energy: -0.043 local terms energy: -291.759416 where: bonds (distance) C4'-P energy: -91.852 bonds (distance) P-C4' energy: -75.941 flat angles C4'-P-C4' energy: -85.978 flat angles P-C4'-P energy: -52.882 tors. eta vs tors. theta energy: 14.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -445.134103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.134103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.134103 (E_RNA) where: Base-Base interactions energy: -215.470 where: short stacking energy: -151.935 Base-Backbone interact. energy: -2.043 local terms energy: -227.621281 where: bonds (distance) C4'-P energy: -69.009 bonds (distance) P-C4' energy: -56.376 flat angles C4'-P-C4' energy: -62.820 flat angles P-C4'-P energy: -45.091 tors. eta vs tors. theta energy: 5.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1394.191157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.191157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.191157 (E_RNA) where: Base-Base interactions energy: -897.314 where: short stacking energy: -433.202 Base-Backbone interact. energy: -0.843 local terms energy: -496.034086 where: bonds (distance) C4'-P energy: -92.523 bonds (distance) P-C4' energy: -93.839 flat angles C4'-P-C4' energy: -111.973 flat angles P-C4'-P energy: -71.717 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: 2, replica: 10 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1171.272794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.272794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.272794 (E_RNA) where: Base-Base interactions energy: -724.669 where: short stacking energy: -360.909 Base-Backbone interact. energy: -1.413 local terms energy: -445.191190 where: bonds (distance) C4'-P energy: -89.615 bonds (distance) P-C4' energy: -96.582 flat angles C4'-P-C4' energy: -110.785 flat angles P-C4'-P energy: -52.639 tors. eta vs tors. theta energy: -95.571 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: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1089.791744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.791744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.791744 (E_RNA) where: Base-Base interactions energy: -670.948 where: short stacking energy: -312.354 Base-Backbone interact. energy: -2.345 local terms energy: -416.498167 where: bonds (distance) C4'-P energy: -92.215 bonds (distance) P-C4' energy: -86.839 flat angles C4'-P-C4' energy: -95.349 flat angles P-C4'-P energy: -58.139 tors. eta vs tors. theta energy: -83.957 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: 4, replica: 8 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1100.109057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.109057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.109057 (E_RNA) where: Base-Base interactions energy: -682.995 where: short stacking energy: -335.683 Base-Backbone interact. energy: -0.903 local terms energy: -416.210667 where: bonds (distance) C4'-P energy: -94.213 bonds (distance) P-C4' energy: -90.262 flat angles C4'-P-C4' energy: -81.378 flat angles P-C4'-P energy: -60.453 tors. eta vs tors. theta energy: -89.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -920.405456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.405456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.405456 (E_RNA) where: Base-Base interactions energy: -555.133 where: short stacking energy: -281.887 Base-Backbone interact. energy: -1.233 local terms energy: -364.039459 where: bonds (distance) C4'-P energy: -85.178 bonds (distance) P-C4' energy: -89.535 flat angles C4'-P-C4' energy: -81.809 flat angles P-C4'-P energy: -47.905 tors. eta vs tors. theta energy: -59.612 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: 3 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -859.061024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.061024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.061024 (E_RNA) where: Base-Base interactions energy: -469.206 where: short stacking energy: -243.845 Base-Backbone interact. energy: -2.152 local terms energy: -387.702855 where: bonds (distance) C4'-P energy: -94.008 bonds (distance) P-C4' energy: -79.776 flat angles C4'-P-C4' energy: -94.838 flat angles P-C4'-P energy: -63.750 tors. eta vs tors. theta energy: -55.332 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: 1 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -757.166697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.166697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.166697 (E_RNA) where: Base-Base interactions energy: -414.155 where: short stacking energy: -203.004 Base-Backbone interact. energy: -1.920 local terms energy: -341.091434 where: bonds (distance) C4'-P energy: -94.015 bonds (distance) P-C4' energy: -80.094 flat angles C4'-P-C4' energy: -83.092 flat angles P-C4'-P energy: -51.004 tors. eta vs tors. theta energy: -32.888 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: 7 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -505.420404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.420404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.420404 (E_RNA) where: Base-Base interactions energy: -220.841 where: short stacking energy: -150.717 Base-Backbone interact. energy: -0.381 local terms energy: -284.197818 where: bonds (distance) C4'-P energy: -79.503 bonds (distance) P-C4' energy: -85.933 flat angles C4'-P-C4' energy: -58.784 flat angles P-C4'-P energy: -49.007 tors. eta vs tors. theta energy: -10.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -504.041831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.041831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.041831 (E_RNA) where: Base-Base interactions energy: -253.042 where: short stacking energy: -151.883 Base-Backbone interact. energy: -0.783 local terms energy: -250.216084 where: bonds (distance) C4'-P energy: -80.382 bonds (distance) P-C4' energy: -82.684 flat angles C4'-P-C4' energy: -61.173 flat angles P-C4'-P energy: -23.888 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -403.970565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.970565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.970565 (E_RNA) where: Base-Base interactions energy: -163.193 where: short stacking energy: -96.582 Base-Backbone interact. energy: 2.979 local terms energy: -243.756133 where: bonds (distance) C4'-P energy: -76.553 bonds (distance) P-C4' energy: -78.491 flat angles C4'-P-C4' energy: -69.393 flat angles P-C4'-P energy: -37.746 tors. eta vs tors. theta energy: 18.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1382.595760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.595760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.595760 (E_RNA) where: Base-Base interactions energy: -882.437 where: short stacking energy: -423.252 Base-Backbone interact. energy: 0.350 local terms energy: -500.508886 where: bonds (distance) C4'-P energy: -91.199 bonds (distance) P-C4' energy: -108.425 flat angles C4'-P-C4' energy: -109.698 flat angles P-C4'-P energy: -73.560 tors. eta vs tors. theta energy: -117.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1187.808701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.808701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.808701 (E_RNA) where: Base-Base interactions energy: -757.322 where: short stacking energy: -349.871 Base-Backbone interact. energy: -0.862 local terms energy: -429.624278 where: bonds (distance) C4'-P energy: -92.706 bonds (distance) P-C4' energy: -91.391 flat angles C4'-P-C4' energy: -92.837 flat angles P-C4'-P energy: -63.505 tors. eta vs tors. theta energy: -89.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1101.222591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.222591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.222591 (E_RNA) where: Base-Base interactions energy: -668.622 where: short stacking energy: -334.845 Base-Backbone interact. energy: -1.484 local terms energy: -431.116219 where: bonds (distance) C4'-P energy: -85.080 bonds (distance) P-C4' energy: -93.364 flat angles C4'-P-C4' energy: -106.321 flat angles P-C4'-P energy: -49.590 tors. eta vs tors. theta energy: -96.761 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: 8 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1094.653547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.653547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.653547 (E_RNA) where: Base-Base interactions energy: -663.935 where: short stacking energy: -335.337 Base-Backbone interact. energy: -0.633 local terms energy: -430.085609 where: bonds (distance) C4'-P energy: -87.142 bonds (distance) P-C4' energy: -100.997 flat angles C4'-P-C4' energy: -85.346 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: -95.487 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: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -946.256425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.256425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.256425 (E_RNA) where: Base-Base interactions energy: -547.295 where: short stacking energy: -258.619 Base-Backbone interact. energy: 1.100 local terms energy: -400.061192 where: bonds (distance) C4'-P energy: -94.206 bonds (distance) P-C4' energy: -94.929 flat angles C4'-P-C4' energy: -83.728 flat angles P-C4'-P energy: -62.185 tors. eta vs tors. theta energy: -65.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -895.403051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.403051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.403051 (E_RNA) where: Base-Base interactions energy: -538.237 where: short stacking energy: -274.580 Base-Backbone interact. energy: -1.918 local terms energy: -355.248023 where: bonds (distance) C4'-P energy: -79.480 bonds (distance) P-C4' energy: -69.497 flat angles C4'-P-C4' energy: -83.490 flat angles P-C4'-P energy: -59.045 tors. eta vs tors. theta energy: -63.735 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: 7, replica: 1 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -747.510166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.510166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.510166 (E_RNA) where: Base-Base interactions energy: -443.737 where: short stacking energy: -208.078 Base-Backbone interact. energy: 2.525 local terms energy: -306.298223 where: bonds (distance) C4'-P energy: -78.954 bonds (distance) P-C4' energy: -76.753 flat angles C4'-P-C4' energy: -76.063 flat angles P-C4'-P energy: -46.482 tors. eta vs tors. theta energy: -28.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -524.559992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.559992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.559992 (E_RNA) where: Base-Base interactions energy: -249.332 where: short stacking energy: -159.147 Base-Backbone interact. energy: 1.871 local terms energy: -277.098904 where: bonds (distance) C4'-P energy: -78.064 bonds (distance) P-C4' energy: -71.865 flat angles C4'-P-C4' energy: -71.902 flat angles P-C4'-P energy: -54.417 tors. eta vs tors. theta energy: -0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -439.110169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.110169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.110169 (E_RNA) where: Base-Base interactions energy: -180.582 where: short stacking energy: -119.268 Base-Backbone interact. energy: 0.242 local terms energy: -258.770093 where: bonds (distance) C4'-P energy: -72.652 bonds (distance) P-C4' energy: -90.824 flat angles C4'-P-C4' energy: -64.536 flat angles P-C4'-P energy: -43.631 tors. eta vs tors. theta energy: 12.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -373.104529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.104529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.104529 (E_RNA) where: Base-Base interactions energy: -125.784 where: short stacking energy: -121.044 Base-Backbone interact. energy: 0.417 local terms energy: -247.737042 where: bonds (distance) C4'-P energy: -63.964 bonds (distance) P-C4' energy: -80.822 flat angles C4'-P-C4' energy: -71.432 flat angles P-C4'-P energy: -42.923 tors. eta vs tors. theta energy: 11.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1397.170195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.170195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.170195 (E_RNA) where: Base-Base interactions energy: -894.098 where: short stacking energy: -442.723 Base-Backbone interact. energy: 0.427 local terms energy: -503.499130 where: bonds (distance) C4'-P energy: -100.008 bonds (distance) P-C4' energy: -92.933 flat angles C4'-P-C4' energy: -111.752 flat angles P-C4'-P energy: -64.954 tors. eta vs tors. theta energy: -133.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1232.443159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.443159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.443159 (E_RNA) where: Base-Base interactions energy: -787.786 where: short stacking energy: -378.935 Base-Backbone interact. energy: 0.597 local terms energy: -445.254588 where: bonds (distance) C4'-P energy: -93.621 bonds (distance) P-C4' energy: -94.782 flat angles C4'-P-C4' energy: -97.570 flat angles P-C4'-P energy: -55.916 tors. eta vs tors. theta energy: -103.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1128.715811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.715811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.715811 (E_RNA) where: Base-Base interactions energy: -709.535 where: short stacking energy: -346.709 Base-Backbone interact. energy: -1.941 local terms energy: -417.239411 where: bonds (distance) C4'-P energy: -75.419 bonds (distance) P-C4' energy: -98.571 flat angles C4'-P-C4' energy: -96.485 flat angles P-C4'-P energy: -59.726 tors. eta vs tors. theta energy: -87.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1022.919406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.919406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.919406 (E_RNA) where: Base-Base interactions energy: -614.964 where: short stacking energy: -344.915 Base-Backbone interact. energy: -3.208 local terms energy: -404.747814 where: bonds (distance) C4'-P energy: -88.128 bonds (distance) P-C4' energy: -83.660 flat angles C4'-P-C4' energy: -86.032 flat angles P-C4'-P energy: -63.594 tors. eta vs tors. theta energy: -83.333 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: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -992.429330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.429330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.429330 (E_RNA) where: Base-Base interactions energy: -598.525 where: short stacking energy: -322.487 Base-Backbone interact. energy: -0.088 local terms energy: -393.816201 where: bonds (distance) C4'-P energy: -81.771 bonds (distance) P-C4' energy: -88.118 flat angles C4'-P-C4' energy: -91.010 flat angles P-C4'-P energy: -54.920 tors. eta vs tors. theta energy: -77.998 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: 3 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -884.414985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.414985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.414985 (E_RNA) where: Base-Base interactions energy: -504.420 where: short stacking energy: -246.627 Base-Backbone interact. energy: -0.517 local terms energy: -379.478460 where: bonds (distance) C4'-P energy: -90.844 bonds (distance) P-C4' energy: -78.905 flat angles C4'-P-C4' energy: -96.095 flat angles P-C4'-P energy: -58.380 tors. eta vs tors. theta energy: -55.254 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: 1 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -767.252574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.252574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.252574 (E_RNA) where: Base-Base interactions energy: -430.477 where: short stacking energy: -222.066 Base-Backbone interact. energy: -2.218 local terms energy: -334.557478 where: bonds (distance) C4'-P energy: -85.276 bonds (distance) P-C4' energy: -90.799 flat angles C4'-P-C4' energy: -81.804 flat angles P-C4'-P energy: -36.767 tors. eta vs tors. theta energy: -39.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -624.794787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.794787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.794787 (E_RNA) where: Base-Base interactions energy: -340.783 where: short stacking energy: -179.839 Base-Backbone interact. energy: 4.643 local terms energy: -288.654507 where: bonds (distance) C4'-P energy: -75.267 bonds (distance) P-C4' energy: -79.330 flat angles C4'-P-C4' energy: -65.778 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: -23.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -455.064923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.064923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.064923 (E_RNA) where: Base-Base interactions energy: -189.505 where: short stacking energy: -142.943 Base-Backbone interact. energy: 0.334 local terms energy: -265.894337 where: bonds (distance) C4'-P energy: -76.224 bonds (distance) P-C4' energy: -72.549 flat angles C4'-P-C4' energy: -70.680 flat angles P-C4'-P energy: -45.267 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -379.558433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.558433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.558433 (E_RNA) where: Base-Base interactions energy: -111.485 where: short stacking energy: -92.310 Base-Backbone interact. energy: -1.452 local terms energy: -266.621499 where: bonds (distance) C4'-P energy: -86.097 bonds (distance) P-C4' energy: -87.831 flat angles C4'-P-C4' energy: -71.556 flat angles P-C4'-P energy: -31.208 tors. eta vs tors. theta energy: 10.071 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: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1384.349148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.349148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.349148 (E_RNA) where: Base-Base interactions energy: -877.519 where: short stacking energy: -445.252 Base-Backbone interact. energy: -0.243 local terms energy: -506.587178 where: bonds (distance) C4'-P energy: -97.218 bonds (distance) P-C4' energy: -103.928 flat angles C4'-P-C4' energy: -108.527 flat angles P-C4'-P energy: -72.293 tors. eta vs tors. theta energy: -124.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1286.907875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.907875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.907875 (E_RNA) where: Base-Base interactions energy: -823.399 where: short stacking energy: -404.318 Base-Backbone interact. energy: -2.093 local terms energy: -461.415942 where: bonds (distance) C4'-P energy: -83.798 bonds (distance) P-C4' energy: -81.801 flat angles C4'-P-C4' energy: -104.443 flat angles P-C4'-P energy: -72.611 tors. eta vs tors. theta energy: -118.763 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: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1143.176673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.176673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.176673 (E_RNA) where: Base-Base interactions energy: -727.275 where: short stacking energy: -318.267 Base-Backbone interact. energy: -3.672 local terms energy: -412.229694 where: bonds (distance) C4'-P energy: -102.696 bonds (distance) P-C4' energy: -94.121 flat angles C4'-P-C4' energy: -81.383 flat angles P-C4'-P energy: -62.187 tors. eta vs tors. theta energy: -71.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1044.682451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.682451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.682451 (E_RNA) where: Base-Base interactions energy: -657.192 where: short stacking energy: -321.387 Base-Backbone interact. energy: -1.653 local terms energy: -385.838208 where: bonds (distance) C4'-P energy: -87.758 bonds (distance) P-C4' energy: -83.004 flat angles C4'-P-C4' energy: -83.832 flat angles P-C4'-P energy: -60.362 tors. eta vs tors. theta energy: -70.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -936.406378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.406378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.406378 (E_RNA) where: Base-Base interactions energy: -554.496 where: short stacking energy: -266.606 Base-Backbone interact. energy: 2.542 local terms energy: -384.451808 where: bonds (distance) C4'-P energy: -76.506 bonds (distance) P-C4' energy: -98.316 flat angles C4'-P-C4' energy: -81.888 flat angles P-C4'-P energy: -65.174 tors. eta vs tors. theta energy: -62.568 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: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -901.721696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.721696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.721696 (E_RNA) where: Base-Base interactions energy: -531.443 where: short stacking energy: -276.608 Base-Backbone interact. energy: -1.121 local terms energy: -369.157293 where: bonds (distance) C4'-P energy: -87.362 bonds (distance) P-C4' energy: -89.639 flat angles C4'-P-C4' energy: -92.267 flat angles P-C4'-P energy: -46.152 tors. eta vs tors. theta energy: -53.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -762.308109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.308109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.308109 (E_RNA) where: Base-Base interactions energy: -416.114 where: short stacking energy: -218.178 Base-Backbone interact. energy: 1.627 local terms energy: -347.821180 where: bonds (distance) C4'-P energy: -78.041 bonds (distance) P-C4' energy: -92.911 flat angles C4'-P-C4' energy: -82.207 flat angles P-C4'-P energy: -41.505 tors. eta vs tors. theta energy: -53.157 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: 35 Temperature: 1.250000 Total energy: -641.064231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.064231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.064231 (E_RNA) where: Base-Base interactions energy: -351.132 where: short stacking energy: -198.722 Base-Backbone interact. energy: -0.958 local terms energy: -288.975016 where: bonds (distance) C4'-P energy: -84.213 bonds (distance) P-C4' energy: -76.783 flat angles C4'-P-C4' energy: -67.632 flat angles P-C4'-P energy: -32.263 tors. eta vs tors. theta energy: -28.083 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: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -509.630921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.630921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.630921 (E_RNA) where: Base-Base interactions energy: -214.585 where: short stacking energy: -139.972 Base-Backbone interact. energy: -1.695 local terms energy: -293.350928 where: bonds (distance) C4'-P energy: -74.039 bonds (distance) P-C4' energy: -86.323 flat angles C4'-P-C4' energy: -87.874 flat angles P-C4'-P energy: -45.517 tors. eta vs tors. theta energy: 0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -406.322995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.322995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.322995 (E_RNA) where: Base-Base interactions energy: -149.159 where: short stacking energy: -97.832 Base-Backbone interact. energy: -0.379 local terms energy: -256.785306 where: bonds (distance) C4'-P energy: -79.018 bonds (distance) P-C4' energy: -73.737 flat angles C4'-P-C4' energy: -77.108 flat angles P-C4'-P energy: -48.411 tors. eta vs tors. theta energy: 21.489 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: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1398.040904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.040904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.040904 (E_RNA) where: Base-Base interactions energy: -899.271 where: short stacking energy: -423.695 Base-Backbone interact. energy: -0.417 local terms energy: -498.352140 where: bonds (distance) C4'-P energy: -98.663 bonds (distance) P-C4' energy: -100.698 flat angles C4'-P-C4' energy: -109.541 flat angles P-C4'-P energy: -63.787 tors. eta vs tors. theta energy: -125.663 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: 2, replica: 10 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1282.476809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.476809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.476809 (E_RNA) where: Base-Base interactions energy: -830.003 where: short stacking energy: -391.991 Base-Backbone interact. energy: -3.105 local terms energy: -449.368709 where: bonds (distance) C4'-P energy: -91.070 bonds (distance) P-C4' energy: -90.000 flat angles C4'-P-C4' energy: -94.127 flat angles P-C4'-P energy: -65.222 tors. eta vs tors. theta energy: -108.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1150.787883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.787883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.787883 (E_RNA) where: Base-Base interactions energy: -695.535 where: short stacking energy: -323.930 Base-Backbone interact. energy: -0.520 local terms energy: -454.733175 where: bonds (distance) C4'-P energy: -96.433 bonds (distance) P-C4' energy: -104.720 flat angles C4'-P-C4' energy: -101.077 flat angles P-C4'-P energy: -62.754 tors. eta vs tors. theta energy: -89.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1061.133007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.133007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.133007 (E_RNA) where: Base-Base interactions energy: -647.837 where: short stacking energy: -322.271 Base-Backbone interact. energy: -0.936 local terms energy: -412.359826 where: bonds (distance) C4'-P energy: -84.662 bonds (distance) P-C4' energy: -82.371 flat angles C4'-P-C4' energy: -94.120 flat angles P-C4'-P energy: -55.351 tors. eta vs tors. theta energy: -95.856 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: 6 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -882.295957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.295957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.295957 (E_RNA) where: Base-Base interactions energy: -478.845 where: short stacking energy: -256.486 Base-Backbone interact. energy: -2.377 local terms energy: -401.074388 where: bonds (distance) C4'-P energy: -93.596 bonds (distance) P-C4' energy: -94.288 flat angles C4'-P-C4' energy: -80.885 flat angles P-C4'-P energy: -70.904 tors. eta vs tors. theta energy: -61.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -892.024499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.024499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.024499 (E_RNA) where: Base-Base interactions energy: -532.517 where: short stacking energy: -262.188 Base-Backbone interact. energy: 0.991 local terms energy: -360.498368 where: bonds (distance) C4'-P energy: -76.855 bonds (distance) P-C4' energy: -92.350 flat angles C4'-P-C4' energy: -73.513 flat angles P-C4'-P energy: -56.455 tors. eta vs tors. theta energy: -61.325 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: 1 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -741.104602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.104602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.104602 (E_RNA) where: Base-Base interactions energy: -463.849 where: short stacking energy: -245.295 Base-Backbone interact. energy: 2.387 local terms energy: -279.643249 where: bonds (distance) C4'-P energy: -75.638 bonds (distance) P-C4' energy: -75.406 flat angles C4'-P-C4' energy: -52.975 flat angles P-C4'-P energy: -44.678 tors. eta vs tors. theta energy: -30.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -642.912048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.912048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.912048 (E_RNA) where: Base-Base interactions energy: -329.889 where: short stacking energy: -202.703 Base-Backbone interact. energy: 2.499 local terms energy: -315.521349 where: bonds (distance) C4'-P energy: -82.408 bonds (distance) P-C4' energy: -95.492 flat angles C4'-P-C4' energy: -72.523 flat angles P-C4'-P energy: -43.817 tors. eta vs tors. theta energy: -21.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -488.148337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.148337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.148337 (E_RNA) where: Base-Base interactions energy: -235.736 where: short stacking energy: -138.246 Base-Backbone interact. energy: -2.522 local terms energy: -249.889616 where: bonds (distance) C4'-P energy: -81.621 bonds (distance) P-C4' energy: -74.956 flat angles C4'-P-C4' energy: -62.611 flat angles P-C4'-P energy: -31.595 tors. eta vs tors. theta energy: 0.893 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: 10, replica: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -390.941907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.941907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.941907 (E_RNA) where: Base-Base interactions energy: -137.423 where: short stacking energy: -113.262 Base-Backbone interact. energy: 0.087 local terms energy: -253.605907 where: bonds (distance) C4'-P energy: -77.342 bonds (distance) P-C4' energy: -91.607 flat angles C4'-P-C4' energy: -50.325 flat angles P-C4'-P energy: -44.673 tors. eta vs tors. theta energy: 10.342 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: 1, replica: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1411.154506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.154506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.154506 (E_RNA) where: Base-Base interactions energy: -892.512 where: short stacking energy: -437.329 Base-Backbone interact. energy: -1.958 local terms energy: -516.683981 where: bonds (distance) C4'-P energy: -103.243 bonds (distance) P-C4' energy: -97.946 flat angles C4'-P-C4' energy: -110.580 flat angles P-C4'-P energy: -78.064 tors. eta vs tors. theta energy: -126.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1283.223116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.223116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.223116 (E_RNA) where: Base-Base interactions energy: -814.566 where: short stacking energy: -424.532 Base-Backbone interact. energy: -1.595 local terms energy: -467.062007 where: bonds (distance) C4'-P energy: -96.721 bonds (distance) P-C4' energy: -87.855 flat angles C4'-P-C4' energy: -98.619 flat angles P-C4'-P energy: -63.379 tors. eta vs tors. theta energy: -120.487 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: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1151.155972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.155972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.155972 (E_RNA) where: Base-Base interactions energy: -724.223 where: short stacking energy: -374.024 Base-Backbone interact. energy: -2.348 local terms energy: -424.584262 where: bonds (distance) C4'-P energy: -95.882 bonds (distance) P-C4' energy: -91.881 flat angles C4'-P-C4' energy: -87.537 flat angles P-C4'-P energy: -54.933 tors. eta vs tors. theta energy: -94.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1075.571260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.571260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.571260 (E_RNA) where: Base-Base interactions energy: -654.883 where: short stacking energy: -338.938 Base-Backbone interact. energy: 0.919 local terms energy: -421.606978 where: bonds (distance) C4'-P energy: -86.661 bonds (distance) P-C4' energy: -83.308 flat angles C4'-P-C4' energy: -97.975 flat angles P-C4'-P energy: -54.306 tors. eta vs tors. theta energy: -99.357 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: 6 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -924.817662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.817662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.817662 (E_RNA) where: Base-Base interactions energy: -550.005 where: short stacking energy: -281.443 Base-Backbone interact. energy: -1.658 local terms energy: -373.153782 where: bonds (distance) C4'-P energy: -95.571 bonds (distance) P-C4' energy: -91.724 flat angles C4'-P-C4' energy: -90.431 flat angles P-C4'-P energy: -47.192 tors. eta vs tors. theta energy: -48.236 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: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -875.119258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.119258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.119258 (E_RNA) where: Base-Base interactions energy: -495.749 where: short stacking energy: -264.945 Base-Backbone interact. energy: -0.323 local terms energy: -379.046703 where: bonds (distance) C4'-P energy: -84.651 bonds (distance) P-C4' energy: -87.135 flat angles C4'-P-C4' energy: -96.249 flat angles P-C4'-P energy: -46.354 tors. eta vs tors. theta energy: -64.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -779.679534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.679534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.679534 (E_RNA) where: Base-Base interactions energy: -453.997 where: short stacking energy: -218.937 Base-Backbone interact. energy: -2.854 local terms energy: -322.829422 where: bonds (distance) C4'-P energy: -74.841 bonds (distance) P-C4' energy: -89.985 flat angles C4'-P-C4' energy: -71.752 flat angles P-C4'-P energy: -49.620 tors. eta vs tors. theta energy: -36.632 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: 37 Temperature: 1.250000 Total energy: -599.084602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.084602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.084602 (E_RNA) where: Base-Base interactions energy: -329.665 where: short stacking energy: -194.560 Base-Backbone interact. energy: 3.754 local terms energy: -273.174130 where: bonds (distance) C4'-P energy: -79.413 bonds (distance) P-C4' energy: -78.669 flat angles C4'-P-C4' energy: -83.079 flat angles P-C4'-P energy: -26.149 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -516.683048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.683048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.683048 (E_RNA) where: Base-Base interactions energy: -252.101 where: short stacking energy: -148.705 Base-Backbone interact. energy: -1.368 local terms energy: -263.214070 where: bonds (distance) C4'-P energy: -67.204 bonds (distance) P-C4' energy: -89.089 flat angles C4'-P-C4' energy: -58.930 flat angles P-C4'-P energy: -50.525 tors. eta vs tors. theta energy: 2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -422.145880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.145880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.145880 (E_RNA) where: Base-Base interactions energy: -158.315 where: short stacking energy: -136.917 Base-Backbone interact. energy: -0.299 local terms energy: -263.531057 where: bonds (distance) C4'-P energy: -76.420 bonds (distance) P-C4' energy: -73.281 flat angles C4'-P-C4' energy: -85.392 flat angles P-C4'-P energy: -43.005 tors. eta vs tors. theta energy: 14.567 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: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1378.598397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.598397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.598397 (E_RNA) where: Base-Base interactions energy: -887.676 where: short stacking energy: -426.956 Base-Backbone interact. energy: -1.619 local terms energy: -489.303327 where: bonds (distance) C4'-P energy: -102.029 bonds (distance) P-C4' energy: -95.754 flat angles C4'-P-C4' energy: -94.600 flat angles P-C4'-P energy: -77.638 tors. eta vs tors. theta energy: -119.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1252.445335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.445335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.445335 (E_RNA) where: Base-Base interactions energy: -789.478 where: short stacking energy: -397.402 Base-Backbone interact. energy: -3.254 local terms energy: -459.714048 where: bonds (distance) C4'-P energy: -99.857 bonds (distance) P-C4' energy: -92.334 flat angles C4'-P-C4' energy: -102.670 flat angles P-C4'-P energy: -55.963 tors. eta vs tors. theta energy: -108.891 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: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1166.852749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.852749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.852749 (E_RNA) where: Base-Base interactions energy: -715.047 where: short stacking energy: -373.317 Base-Backbone interact. energy: -2.773 local terms energy: -449.032420 where: bonds (distance) C4'-P energy: -92.719 bonds (distance) P-C4' energy: -89.742 flat angles C4'-P-C4' energy: -93.896 flat angles P-C4'-P energy: -71.212 tors. eta vs tors. theta energy: -101.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1104.218693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.218693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.218693 (E_RNA) where: Base-Base interactions energy: -730.635 where: short stacking energy: -334.875 Base-Backbone interact. energy: 0.494 local terms energy: -374.077505 where: bonds (distance) C4'-P energy: -78.306 bonds (distance) P-C4' energy: -66.033 flat angles C4'-P-C4' energy: -94.114 flat angles P-C4'-P energy: -65.378 tors. eta vs tors. theta energy: -70.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -941.861285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.861285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.861285 (E_RNA) where: Base-Base interactions energy: -564.906 where: short stacking energy: -292.842 Base-Backbone interact. energy: -0.092 local terms energy: -376.863667 where: bonds (distance) C4'-P energy: -71.292 bonds (distance) P-C4' energy: -95.705 flat angles C4'-P-C4' energy: -91.646 flat angles P-C4'-P energy: -49.596 tors. eta vs tors. theta energy: -68.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -918.254397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.254397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.254397 (E_RNA) where: Base-Base interactions energy: -569.247 where: short stacking energy: -272.926 Base-Backbone interact. energy: 2.821 local terms energy: -351.828443 where: bonds (distance) C4'-P energy: -86.325 bonds (distance) P-C4' energy: -73.528 flat angles C4'-P-C4' energy: -90.177 flat angles P-C4'-P energy: -49.092 tors. eta vs tors. theta energy: -52.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -786.162154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.162154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.162154 (E_RNA) where: Base-Base interactions energy: -456.107 where: short stacking energy: -209.087 Base-Backbone interact. energy: -3.314 local terms energy: -326.741105 where: bonds (distance) C4'-P energy: -92.951 bonds (distance) P-C4' energy: -90.702 flat angles C4'-P-C4' energy: -72.189 flat angles P-C4'-P energy: -49.076 tors. eta vs tors. theta energy: -21.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -639.827137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.827137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.827137 (E_RNA) where: Base-Base interactions energy: -332.227 where: short stacking energy: -189.944 Base-Backbone interact. energy: -0.169 local terms energy: -307.431243 where: bonds (distance) C4'-P energy: -67.334 bonds (distance) P-C4' energy: -91.530 flat angles C4'-P-C4' energy: -74.085 flat angles P-C4'-P energy: -54.927 tors. eta vs tors. theta energy: -19.556 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: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -476.001744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.001744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.001744 (E_RNA) where: Base-Base interactions energy: -222.925 where: short stacking energy: -117.006 Base-Backbone interact. energy: -2.090 local terms energy: -250.986847 where: bonds (distance) C4'-P energy: -71.669 bonds (distance) P-C4' energy: -90.572 flat angles C4'-P-C4' energy: -55.237 flat angles P-C4'-P energy: -38.943 tors. eta vs tors. theta energy: 5.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -373.186042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.186042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.186042 (E_RNA) where: Base-Base interactions energy: -128.298 where: short stacking energy: -102.958 Base-Backbone interact. energy: 2.806 local terms energy: -247.693482 where: bonds (distance) C4'-P energy: -82.826 bonds (distance) P-C4' energy: -86.863 flat angles C4'-P-C4' energy: -65.557 flat angles P-C4'-P energy: -35.159 tors. eta vs tors. theta energy: 22.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1406.504095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.504095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.504095 (E_RNA) where: Base-Base interactions energy: -893.347 where: short stacking energy: -460.647 Base-Backbone interact. energy: -1.757 local terms energy: -511.400321 where: bonds (distance) C4'-P energy: -100.851 bonds (distance) P-C4' energy: -98.215 flat angles C4'-P-C4' energy: -102.917 flat angles P-C4'-P energy: -72.593 tors. eta vs tors. theta energy: -136.825 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: 10 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1304.644919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.644919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.644919 (E_RNA) where: Base-Base interactions energy: -804.645 where: short stacking energy: -423.034 Base-Backbone interact. energy: -0.826 local terms energy: -499.173922 where: bonds (distance) C4'-P energy: -95.749 bonds (distance) P-C4' energy: -97.226 flat angles C4'-P-C4' energy: -109.762 flat angles P-C4'-P energy: -72.746 tors. eta vs tors. theta energy: -123.690 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: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1181.925732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.925732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.925732 (E_RNA) where: Base-Base interactions energy: -735.782 where: short stacking energy: -363.261 Base-Backbone interact. energy: -1.331 local terms energy: -444.813149 where: bonds (distance) C4'-P energy: -79.759 bonds (distance) P-C4' energy: -98.611 flat angles C4'-P-C4' energy: -103.837 flat angles P-C4'-P energy: -59.740 tors. eta vs tors. theta energy: -102.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1126.002562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.002562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.002562 (E_RNA) where: Base-Base interactions energy: -710.418 where: short stacking energy: -345.954 Base-Backbone interact. energy: -1.431 local terms energy: -414.153289 where: bonds (distance) C4'-P energy: -77.740 bonds (distance) P-C4' energy: -85.322 flat angles C4'-P-C4' energy: -95.719 flat angles P-C4'-P energy: -64.956 tors. eta vs tors. theta energy: -90.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -882.482795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.482795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.482795 (E_RNA) where: Base-Base interactions energy: -526.275 where: short stacking energy: -278.938 Base-Backbone interact. energy: 4.802 local terms energy: -361.009860 where: bonds (distance) C4'-P energy: -86.887 bonds (distance) P-C4' energy: -79.894 flat angles C4'-P-C4' energy: -92.646 flat angles P-C4'-P energy: -38.796 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: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -924.639422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.639422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.639422 (E_RNA) where: Base-Base interactions energy: -562.645 where: short stacking energy: -256.811 Base-Backbone interact. energy: -0.759 local terms energy: -361.235028 where: bonds (distance) C4'-P energy: -79.845 bonds (distance) P-C4' energy: -80.230 flat angles C4'-P-C4' energy: -94.746 flat angles P-C4'-P energy: -47.598 tors. eta vs tors. theta energy: -58.817 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: 7, replica: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -730.242033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.242033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.242033 (E_RNA) where: Base-Base interactions energy: -430.587 where: short stacking energy: -217.557 Base-Backbone interact. energy: -1.659 local terms energy: -297.996207 where: bonds (distance) C4'-P energy: -68.052 bonds (distance) P-C4' energy: -89.337 flat angles C4'-P-C4' energy: -79.740 flat angles P-C4'-P energy: -37.951 tors. eta vs tors. theta energy: -22.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -631.299473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.299473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.299473 (E_RNA) where: Base-Base interactions energy: -340.608 where: short stacking energy: -185.515 Base-Backbone interact. energy: 2.203 local terms energy: -292.894652 where: bonds (distance) C4'-P energy: -76.160 bonds (distance) P-C4' energy: -87.265 flat angles C4'-P-C4' energy: -76.547 flat angles P-C4'-P energy: -47.742 tors. eta vs tors. theta energy: -5.181 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: 9, replica: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -476.202258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.202258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.202258 (E_RNA) where: Base-Base interactions energy: -207.284 where: short stacking energy: -120.133 Base-Backbone interact. energy: 5.937 local terms energy: -274.854985 where: bonds (distance) C4'-P energy: -73.176 bonds (distance) P-C4' energy: -81.499 flat angles C4'-P-C4' energy: -82.181 flat angles P-C4'-P energy: -46.373 tors. eta vs tors. theta energy: 8.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -377.042629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.042629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.042629 (E_RNA) where: Base-Base interactions energy: -119.971 where: short stacking energy: -101.159 Base-Backbone interact. energy: -0.279 local terms energy: -256.792686 where: bonds (distance) C4'-P energy: -76.454 bonds (distance) P-C4' energy: -81.788 flat angles C4'-P-C4' energy: -81.652 flat angles P-C4'-P energy: -29.433 tors. eta vs tors. theta energy: 12.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1394.335048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.335048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.335048 (E_RNA) where: Base-Base interactions energy: -910.024 where: short stacking energy: -445.747 Base-Backbone interact. energy: -0.817 local terms energy: -483.493377 where: bonds (distance) C4'-P energy: -96.270 bonds (distance) P-C4' energy: -90.861 flat angles C4'-P-C4' energy: -102.010 flat angles P-C4'-P energy: -78.064 tors. eta vs tors. theta energy: -116.288 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: 2, replica: 10 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1334.633450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.633450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.633450 (E_RNA) where: Base-Base interactions energy: -852.578 where: short stacking energy: -416.022 Base-Backbone interact. energy: -1.237 local terms energy: -480.818458 where: bonds (distance) C4'-P energy: -93.857 bonds (distance) P-C4' energy: -97.324 flat angles C4'-P-C4' energy: -101.449 flat angles P-C4'-P energy: -68.100 tors. eta vs tors. theta energy: -120.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1165.035460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.035460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.035460 (E_RNA) where: Base-Base interactions energy: -747.690 where: short stacking energy: -376.250 Base-Backbone interact. energy: -1.476 local terms energy: -415.869399 where: bonds (distance) C4'-P energy: -90.228 bonds (distance) P-C4' energy: -79.117 flat angles C4'-P-C4' energy: -97.996 flat angles P-C4'-P energy: -58.473 tors. eta vs tors. theta energy: -90.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1110.658051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.658051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.658051 (E_RNA) where: Base-Base interactions energy: -685.941 where: short stacking energy: -310.278 Base-Backbone interact. energy: 0.097 local terms energy: -424.813583 where: bonds (distance) C4'-P energy: -110.238 bonds (distance) P-C4' energy: -99.610 flat angles C4'-P-C4' energy: -78.293 flat angles P-C4'-P energy: -57.595 tors. eta vs tors. theta energy: -79.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -992.251071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.251071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.251071 (E_RNA) where: Base-Base interactions energy: -586.795 where: short stacking energy: -298.496 Base-Backbone interact. energy: 0.722 local terms energy: -406.177666 where: bonds (distance) C4'-P energy: -79.543 bonds (distance) P-C4' energy: -99.927 flat angles C4'-P-C4' energy: -93.611 flat angles P-C4'-P energy: -61.736 tors. eta vs tors. theta energy: -71.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -858.972632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.972632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.972632 (E_RNA) where: Base-Base interactions energy: -512.964 where: short stacking energy: -240.507 Base-Backbone interact. energy: 1.320 local terms energy: -347.327884 where: bonds (distance) C4'-P energy: -85.504 bonds (distance) P-C4' energy: -91.442 flat angles C4'-P-C4' energy: -69.094 flat angles P-C4'-P energy: -53.402 tors. eta vs tors. theta energy: -47.885 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: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -704.151460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.151460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.151460 (E_RNA) where: Base-Base interactions energy: -374.006 where: short stacking energy: -197.848 Base-Backbone interact. energy: 4.117 local terms energy: -334.262484 where: bonds (distance) C4'-P energy: -91.492 bonds (distance) P-C4' energy: -89.933 flat angles C4'-P-C4' energy: -80.971 flat angles P-C4'-P energy: -34.412 tors. eta vs tors. theta energy: -37.455 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: 8, replica: 9 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -573.605968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.605968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.605968 (E_RNA) where: Base-Base interactions energy: -262.728 where: short stacking energy: -160.586 Base-Backbone interact. energy: 0.321 local terms energy: -311.199452 where: bonds (distance) C4'-P energy: -87.530 bonds (distance) P-C4' energy: -85.768 flat angles C4'-P-C4' energy: -89.166 flat angles P-C4'-P energy: -48.500 tors. eta vs tors. theta energy: -0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -514.447642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.447642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.447642 (E_RNA) where: Base-Base interactions energy: -242.488 where: short stacking energy: -161.025 Base-Backbone interact. energy: 2.425 local terms energy: -274.385351 where: bonds (distance) C4'-P energy: -77.692 bonds (distance) P-C4' energy: -69.567 flat angles C4'-P-C4' energy: -74.595 flat angles P-C4'-P energy: -42.649 tors. eta vs tors. theta energy: -9.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -362.910733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.910733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.910733 (E_RNA) where: Base-Base interactions energy: -120.717 where: short stacking energy: -103.478 Base-Backbone interact. energy: -2.482 local terms energy: -239.711908 where: bonds (distance) C4'-P energy: -68.334 bonds (distance) P-C4' energy: -81.225 flat angles C4'-P-C4' energy: -60.202 flat angles P-C4'-P energy: -48.405 tors. eta vs tors. theta energy: 18.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1426.473935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.473935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.473935 (E_RNA) where: Base-Base interactions energy: -935.375 where: short stacking energy: -472.362 Base-Backbone interact. energy: -1.704 local terms energy: -489.395194 where: bonds (distance) C4'-P energy: -97.925 bonds (distance) P-C4' energy: -87.043 flat angles C4'-P-C4' energy: -112.272 flat angles P-C4'-P energy: -60.726 tors. eta vs tors. theta energy: -131.429 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: 2, replica: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1283.215028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.215028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.215028 (E_RNA) where: Base-Base interactions energy: -800.638 where: short stacking energy: -397.429 Base-Backbone interact. energy: -1.922 local terms energy: -480.655208 where: bonds (distance) C4'-P energy: -102.908 bonds (distance) P-C4' energy: -92.644 flat angles C4'-P-C4' energy: -100.587 flat angles P-C4'-P energy: -62.216 tors. eta vs tors. theta energy: -122.301 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: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1184.010419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.010419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.010419 (E_RNA) where: Base-Base interactions energy: -747.362 where: short stacking energy: -366.896 Base-Backbone interact. energy: 0.298 local terms energy: -436.946101 where: bonds (distance) C4'-P energy: -89.019 bonds (distance) P-C4' energy: -92.533 flat angles C4'-P-C4' energy: -92.426 flat angles P-C4'-P energy: -68.098 tors. eta vs tors. theta energy: -94.871 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: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1107.913453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.913453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.913453 (E_RNA) where: Base-Base interactions energy: -652.707 where: short stacking energy: -334.252 Base-Backbone interact. energy: 0.248 local terms energy: -455.454798 where: bonds (distance) C4'-P energy: -86.732 bonds (distance) P-C4' energy: -90.865 flat angles C4'-P-C4' energy: -105.798 flat angles P-C4'-P energy: -66.748 tors. eta vs tors. theta energy: -105.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -970.672788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.672788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.672788 (E_RNA) where: Base-Base interactions energy: -582.582 where: short stacking energy: -308.363 Base-Backbone interact. energy: -0.532 local terms energy: -387.558913 where: bonds (distance) C4'-P energy: -95.584 bonds (distance) P-C4' energy: -90.397 flat angles C4'-P-C4' energy: -82.868 flat angles P-C4'-P energy: -48.748 tors. eta vs tors. theta energy: -69.963 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: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -841.312750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.312750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.312750 (E_RNA) where: Base-Base interactions energy: -490.697 where: short stacking energy: -252.121 Base-Backbone interact. energy: -2.470 local terms energy: -348.145095 where: bonds (distance) C4'-P energy: -71.767 bonds (distance) P-C4' energy: -94.671 flat angles C4'-P-C4' energy: -89.991 flat angles P-C4'-P energy: -35.709 tors. eta vs tors. theta energy: -56.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -720.525339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.525339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.525339 (E_RNA) where: Base-Base interactions energy: -397.010 where: short stacking energy: -221.842 Base-Backbone interact. energy: -1.528 local terms energy: -321.987338 where: bonds (distance) C4'-P energy: -69.548 bonds (distance) P-C4' energy: -84.126 flat angles C4'-P-C4' energy: -84.549 flat angles P-C4'-P energy: -45.301 tors. eta vs tors. theta energy: -38.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -545.468182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.468182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.468182 (E_RNA) where: Base-Base interactions energy: -251.916 where: short stacking energy: -161.849 Base-Backbone interact. energy: -0.740 local terms energy: -292.811796 where: bonds (distance) C4'-P energy: -69.798 bonds (distance) P-C4' energy: -84.084 flat angles C4'-P-C4' energy: -76.320 flat angles P-C4'-P energy: -51.715 tors. eta vs tors. theta energy: -10.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -491.932204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.932204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.932204 (E_RNA) where: Base-Base interactions energy: -235.120 where: short stacking energy: -156.692 Base-Backbone interact. energy: 0.645 local terms energy: -257.457831 where: bonds (distance) C4'-P energy: -69.034 bonds (distance) P-C4' energy: -88.519 flat angles C4'-P-C4' energy: -68.269 flat angles P-C4'-P energy: -38.031 tors. eta vs tors. theta energy: 6.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -368.879814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.879814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.879814 (E_RNA) where: Base-Base interactions energy: -121.452 where: short stacking energy: -99.200 Base-Backbone interact. energy: -0.598 local terms energy: -246.829844 where: bonds (distance) C4'-P energy: -82.893 bonds (distance) P-C4' energy: -80.980 flat angles C4'-P-C4' energy: -55.273 flat angles P-C4'-P energy: -41.340 tors. eta vs tors. theta energy: 13.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1411.018981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.018981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.018981 (E_RNA) where: Base-Base interactions energy: -924.000 where: short stacking energy: -448.790 Base-Backbone interact. energy: -1.952 local terms energy: -485.066959 where: bonds (distance) C4'-P energy: -85.522 bonds (distance) P-C4' energy: -91.376 flat angles C4'-P-C4' energy: -111.836 flat angles P-C4'-P energy: -62.668 tors. eta vs tors. theta energy: -133.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1269.740988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.740988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.740988 (E_RNA) where: Base-Base interactions energy: -814.696 where: short stacking energy: -420.004 Base-Backbone interact. energy: -0.973 local terms energy: -454.071727 where: bonds (distance) C4'-P energy: -79.428 bonds (distance) P-C4' energy: -92.710 flat angles C4'-P-C4' energy: -105.522 flat angles P-C4'-P energy: -71.758 tors. eta vs tors. theta energy: -104.654 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: 3, replica: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1197.018486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.018486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.018486 (E_RNA) where: Base-Base interactions energy: -765.228 where: short stacking energy: -335.788 Base-Backbone interact. energy: 1.912 local terms energy: -433.702343 where: bonds (distance) C4'-P energy: -84.726 bonds (distance) P-C4' energy: -90.136 flat angles C4'-P-C4' energy: -92.153 flat angles P-C4'-P energy: -70.918 tors. eta vs tors. theta energy: -95.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1116.622322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.622322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.622322 (E_RNA) where: Base-Base interactions energy: -701.838 where: short stacking energy: -332.552 Base-Backbone interact. energy: 0.075 local terms energy: -414.859447 where: bonds (distance) C4'-P energy: -91.029 bonds (distance) P-C4' energy: -88.277 flat angles C4'-P-C4' energy: -89.715 flat angles P-C4'-P energy: -53.314 tors. eta vs tors. theta energy: -92.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -887.863011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.863011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.863011 (E_RNA) where: Base-Base interactions energy: -516.440 where: short stacking energy: -260.714 Base-Backbone interact. energy: 2.394 local terms energy: -373.816487 where: bonds (distance) C4'-P energy: -66.639 bonds (distance) P-C4' energy: -92.969 flat angles C4'-P-C4' energy: -98.427 flat angles P-C4'-P energy: -58.395 tors. eta vs tors. theta energy: -57.387 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: 42 Temperature: 1.150000 Total energy: -889.572245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.572245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.572245 (E_RNA) where: Base-Base interactions energy: -505.061 where: short stacking energy: -252.867 Base-Backbone interact. energy: 0.485 local terms energy: -384.996438 where: bonds (distance) C4'-P energy: -93.315 bonds (distance) P-C4' energy: -84.411 flat angles C4'-P-C4' energy: -93.991 flat angles P-C4'-P energy: -62.794 tors. eta vs tors. theta energy: -50.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -708.648924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.648924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.648924 (E_RNA) where: Base-Base interactions energy: -387.428 where: short stacking energy: -198.172 Base-Backbone interact. energy: 2.649 local terms energy: -323.869446 where: bonds (distance) C4'-P energy: -86.226 bonds (distance) P-C4' energy: -84.997 flat angles C4'-P-C4' energy: -71.206 flat angles P-C4'-P energy: -59.769 tors. eta vs tors. theta energy: -21.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -543.307894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.307894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.307894 (E_RNA) where: Base-Base interactions energy: -271.093 where: short stacking energy: -175.232 Base-Backbone interact. energy: -0.686 local terms energy: -271.529359 where: bonds (distance) C4'-P energy: -74.711 bonds (distance) P-C4' energy: -74.304 flat angles C4'-P-C4' energy: -72.072 flat angles P-C4'-P energy: -35.758 tors. eta vs tors. theta energy: -14.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -413.050285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.050285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.050285 (E_RNA) where: Base-Base interactions energy: -151.481 where: short stacking energy: -133.105 Base-Backbone interact. energy: 6.424 local terms energy: -267.993448 where: bonds (distance) C4'-P energy: -74.552 bonds (distance) P-C4' energy: -90.062 flat angles C4'-P-C4' energy: -73.785 flat angles P-C4'-P energy: -36.072 tors. eta vs tors. theta energy: 6.477 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: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -455.931321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.931321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.931321 (E_RNA) where: Base-Base interactions energy: -197.139 where: short stacking energy: -111.379 Base-Backbone interact. energy: 0.790 local terms energy: -259.582367 where: bonds (distance) C4'-P energy: -82.257 bonds (distance) P-C4' energy: -84.286 flat angles C4'-P-C4' energy: -77.183 flat angles P-C4'-P energy: -29.251 tors. eta vs tors. theta energy: 13.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1410.232878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.232878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.232878 (E_RNA) where: Base-Base interactions energy: -924.414 where: short stacking energy: -419.756 Base-Backbone interact. energy: -1.555 local terms energy: -484.264709 where: bonds (distance) C4'-P energy: -88.123 bonds (distance) P-C4' energy: -95.457 flat angles C4'-P-C4' energy: -108.506 flat angles P-C4'-P energy: -66.379 tors. eta vs tors. theta energy: -125.801 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: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1292.215635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.215635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.215635 (E_RNA) where: Base-Base interactions energy: -843.526 where: short stacking energy: -407.952 Base-Backbone interact. energy: -3.692 local terms energy: -444.997292 where: bonds (distance) C4'-P energy: -92.664 bonds (distance) P-C4' energy: -88.049 flat angles C4'-P-C4' energy: -105.496 flat angles P-C4'-P energy: -54.004 tors. eta vs tors. theta energy: -104.784 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: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1219.772809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.772809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.772809 (E_RNA) where: Base-Base interactions energy: -758.739 where: short stacking energy: -375.348 Base-Backbone interact. energy: -0.974 local terms energy: -460.060120 where: bonds (distance) C4'-P energy: -92.154 bonds (distance) P-C4' energy: -88.709 flat angles C4'-P-C4' energy: -99.633 flat angles P-C4'-P energy: -73.403 tors. eta vs tors. theta energy: -106.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1129.440064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.440064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.440064 (E_RNA) where: Base-Base interactions energy: -707.494 where: short stacking energy: -331.889 Base-Backbone interact. energy: -1.695 local terms energy: -420.251153 where: bonds (distance) C4'-P energy: -84.852 bonds (distance) P-C4' energy: -96.117 flat angles C4'-P-C4' energy: -95.523 flat angles P-C4'-P energy: -52.176 tors. eta vs tors. theta energy: -91.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -979.139549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.139549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.139549 (E_RNA) where: Base-Base interactions energy: -576.544 where: short stacking energy: -283.208 Base-Backbone interact. energy: 1.105 local terms energy: -403.700680 where: bonds (distance) C4'-P energy: -76.486 bonds (distance) P-C4' energy: -106.184 flat angles C4'-P-C4' energy: -85.419 flat angles P-C4'-P energy: -64.325 tors. eta vs tors. theta energy: -71.288 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: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -836.437947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.437947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.437947 (E_RNA) where: Base-Base interactions energy: -502.081 where: short stacking energy: -244.820 Base-Backbone interact. energy: -1.637 local terms energy: -332.719637 where: bonds (distance) C4'-P energy: -67.705 bonds (distance) P-C4' energy: -84.594 flat angles C4'-P-C4' energy: -74.299 flat angles P-C4'-P energy: -49.963 tors. eta vs tors. theta energy: -56.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -732.204063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.204063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.204063 (E_RNA) where: Base-Base interactions energy: -403.091 where: short stacking energy: -208.104 Base-Backbone interact. energy: -1.805 local terms energy: -327.307721 where: bonds (distance) C4'-P energy: -87.742 bonds (distance) P-C4' energy: -80.463 flat angles C4'-P-C4' energy: -84.359 flat angles P-C4'-P energy: -35.965 tors. eta vs tors. theta energy: -38.778 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: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -580.852567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.852567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.852567 (E_RNA) where: Base-Base interactions energy: -283.944 where: short stacking energy: -184.378 Base-Backbone interact. energy: -1.532 local terms energy: -295.376581 where: bonds (distance) C4'-P energy: -78.331 bonds (distance) P-C4' energy: -80.503 flat angles C4'-P-C4' energy: -80.535 flat angles P-C4'-P energy: -41.246 tors. eta vs tors. theta energy: -14.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -413.987426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.987426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.987426 (E_RNA) where: Base-Base interactions energy: -160.348 where: short stacking energy: -125.037 Base-Backbone interact. energy: 0.811 local terms energy: -254.450625 where: bonds (distance) C4'-P energy: -72.537 bonds (distance) P-C4' energy: -81.394 flat angles C4'-P-C4' energy: -80.536 flat angles P-C4'-P energy: -29.465 tors. eta vs tors. theta energy: 9.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -455.736689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.736689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.736689 (E_RNA) where: Base-Base interactions energy: -186.498 where: short stacking energy: -120.801 Base-Backbone interact. energy: 4.583 local terms energy: -273.822310 where: bonds (distance) C4'-P energy: -83.205 bonds (distance) P-C4' energy: -79.166 flat angles C4'-P-C4' energy: -57.842 flat angles P-C4'-P energy: -55.190 tors. eta vs tors. theta energy: 1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1376.907566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.907566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.907566 (E_RNA) where: Base-Base interactions energy: -889.869 where: short stacking energy: -414.462 Base-Backbone interact. energy: -2.388 local terms energy: -484.650548 where: bonds (distance) C4'-P energy: -92.265 bonds (distance) P-C4' energy: -92.400 flat angles C4'-P-C4' energy: -109.603 flat angles P-C4'-P energy: -72.291 tors. eta vs tors. theta energy: -118.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1290.708208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.708208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.708208 (E_RNA) where: Base-Base interactions energy: -792.137 where: short stacking energy: -399.412 Base-Backbone interact. energy: -2.392 local terms energy: -496.179409 where: bonds (distance) C4'-P energy: -94.173 bonds (distance) P-C4' energy: -101.760 flat angles C4'-P-C4' energy: -98.156 flat angles P-C4'-P energy: -68.811 tors. eta vs tors. theta energy: -133.279 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: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1243.655280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.655280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.655280 (E_RNA) where: Base-Base interactions energy: -796.559 where: short stacking energy: -368.900 Base-Backbone interact. energy: 1.085 local terms energy: -448.180923 where: bonds (distance) C4'-P energy: -91.449 bonds (distance) P-C4' energy: -84.482 flat angles C4'-P-C4' energy: -106.729 flat angles P-C4'-P energy: -70.379 tors. eta vs tors. theta energy: -95.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1104.179303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.179303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.179303 (E_RNA) where: Base-Base interactions energy: -719.909 where: short stacking energy: -312.303 Base-Backbone interact. energy: -2.366 local terms energy: -381.904549 where: bonds (distance) C4'-P energy: -85.910 bonds (distance) P-C4' energy: -77.875 flat angles C4'-P-C4' energy: -89.538 flat angles P-C4'-P energy: -48.468 tors. eta vs tors. theta energy: -80.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -923.879235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.879235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.879235 (E_RNA) where: Base-Base interactions energy: -553.386 where: short stacking energy: -277.822 Base-Backbone interact. energy: -0.562 local terms energy: -369.931441 where: bonds (distance) C4'-P energy: -89.475 bonds (distance) P-C4' energy: -81.646 flat angles C4'-P-C4' energy: -90.630 flat angles P-C4'-P energy: -55.114 tors. eta vs tors. theta energy: -53.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -759.630336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.630336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.630336 (E_RNA) where: Base-Base interactions energy: -464.240 where: short stacking energy: -216.240 Base-Backbone interact. energy: -2.141 local terms energy: -293.248787 where: bonds (distance) C4'-P energy: -74.489 bonds (distance) P-C4' energy: -93.997 flat angles C4'-P-C4' energy: -73.746 flat angles P-C4'-P energy: -32.803 tors. eta vs tors. theta energy: -18.214 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: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -733.357581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.357581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.357581 (E_RNA) where: Base-Base interactions energy: -411.657 where: short stacking energy: -207.623 Base-Backbone interact. energy: -0.249 local terms energy: -321.451913 where: bonds (distance) C4'-P energy: -73.611 bonds (distance) P-C4' energy: -88.840 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -31.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -588.455000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.455000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.455000 (E_RNA) where: Base-Base interactions energy: -293.883 where: short stacking energy: -148.124 Base-Backbone interact. energy: -1.451 local terms energy: -293.121308 where: bonds (distance) C4'-P energy: -84.155 bonds (distance) P-C4' energy: -83.378 flat angles C4'-P-C4' energy: -85.932 flat angles P-C4'-P energy: -35.386 tors. eta vs tors. theta energy: -4.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -472.940357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.940357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.940357 (E_RNA) where: Base-Base interactions energy: -216.263 where: short stacking energy: -161.478 Base-Backbone interact. energy: -0.105 local terms energy: -256.572958 where: bonds (distance) C4'-P energy: -56.905 bonds (distance) P-C4' energy: -88.512 flat angles C4'-P-C4' energy: -72.383 flat angles P-C4'-P energy: -47.235 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: 10, replica: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -376.946198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.946198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.946198 (E_RNA) where: Base-Base interactions energy: -115.900 where: short stacking energy: -105.453 Base-Backbone interact. energy: 0.316 local terms energy: -261.362442 where: bonds (distance) C4'-P energy: -72.754 bonds (distance) P-C4' energy: -77.532 flat angles C4'-P-C4' energy: -75.656 flat angles P-C4'-P energy: -33.788 tors. eta vs tors. theta energy: -1.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1396.794054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.794054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.794054 (E_RNA) where: Base-Base interactions energy: -907.738 where: short stacking energy: -432.882 Base-Backbone interact. energy: -0.575 local terms energy: -488.481141 where: bonds (distance) C4'-P energy: -85.986 bonds (distance) P-C4' energy: -98.644 flat angles C4'-P-C4' energy: -105.142 flat angles P-C4'-P energy: -64.362 tors. eta vs tors. theta energy: -134.347 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: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1331.742029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.742029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.742029 (E_RNA) where: Base-Base interactions energy: -841.810 where: short stacking energy: -424.076 Base-Backbone interact. energy: -1.861 local terms energy: -488.071735 where: bonds (distance) C4'-P energy: -89.469 bonds (distance) P-C4' energy: -98.701 flat angles C4'-P-C4' energy: -100.143 flat angles P-C4'-P energy: -75.779 tors. eta vs tors. theta energy: -123.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1253.515234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.515234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.515234 (E_RNA) where: Base-Base interactions energy: -800.902 where: short stacking energy: -416.117 Base-Backbone interact. energy: 1.163 local terms energy: -453.776462 where: bonds (distance) C4'-P energy: -92.937 bonds (distance) P-C4' energy: -94.426 flat angles C4'-P-C4' energy: -94.633 flat angles P-C4'-P energy: -62.952 tors. eta vs tors. theta energy: -108.829 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: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1150.340640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.340640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.340640 (E_RNA) where: Base-Base interactions energy: -733.044 where: short stacking energy: -347.259 Base-Backbone interact. energy: -0.285 local terms energy: -417.011625 where: bonds (distance) C4'-P energy: -91.409 bonds (distance) P-C4' energy: -85.055 flat angles C4'-P-C4' energy: -88.773 flat angles P-C4'-P energy: -54.575 tors. eta vs tors. theta energy: -97.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -927.851721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.851721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.851721 (E_RNA) where: Base-Base interactions energy: -563.749 where: short stacking energy: -281.323 Base-Backbone interact. energy: -0.705 local terms energy: -363.398080 where: bonds (distance) C4'-P energy: -80.086 bonds (distance) P-C4' energy: -84.213 flat angles C4'-P-C4' energy: -98.618 flat angles P-C4'-P energy: -42.437 tors. eta vs tors. theta energy: -58.044 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: 45 Temperature: 1.150000 Total energy: -841.126671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.126671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.126671 (E_RNA) where: Base-Base interactions energy: -493.830 where: short stacking energy: -248.360 Base-Backbone interact. energy: -1.147 local terms energy: -346.149970 where: bonds (distance) C4'-P energy: -77.449 bonds (distance) P-C4' energy: -89.216 flat angles C4'-P-C4' energy: -87.611 flat angles P-C4'-P energy: -48.826 tors. eta vs tors. theta energy: -43.047 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: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -720.064695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.064695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.064695 (E_RNA) where: Base-Base interactions energy: -408.826 where: short stacking energy: -211.454 Base-Backbone interact. energy: 2.914 local terms energy: -314.152438 where: bonds (distance) C4'-P energy: -86.635 bonds (distance) P-C4' energy: -76.417 flat angles C4'-P-C4' energy: -70.440 flat angles P-C4'-P energy: -57.257 tors. eta vs tors. theta energy: -23.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -555.514811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.514811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.514811 (E_RNA) where: Base-Base interactions energy: -260.804 where: short stacking energy: -173.828 Base-Backbone interact. energy: 2.646 local terms energy: -297.357394 where: bonds (distance) C4'-P energy: -71.256 bonds (distance) P-C4' energy: -85.484 flat angles C4'-P-C4' energy: -91.649 flat angles P-C4'-P energy: -35.347 tors. eta vs tors. theta energy: -13.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -497.086737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.086737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.086737 (E_RNA) where: Base-Base interactions energy: -218.554 where: short stacking energy: -128.368 Base-Backbone interact. energy: -0.546 local terms energy: -277.986718 where: bonds (distance) C4'-P energy: -69.475 bonds (distance) P-C4' energy: -77.209 flat angles C4'-P-C4' energy: -85.742 flat angles P-C4'-P energy: -43.562 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -347.409074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.409074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.409074 (E_RNA) where: Base-Base interactions energy: -112.592 where: short stacking energy: -101.323 Base-Backbone interact. energy: -0.520 local terms energy: -234.297368 where: bonds (distance) C4'-P energy: -68.559 bonds (distance) P-C4' energy: -78.761 flat angles C4'-P-C4' energy: -80.538 flat angles P-C4'-P energy: -31.775 tors. eta vs tors. theta energy: 25.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1399.320950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.320950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.320950 (E_RNA) where: Base-Base interactions energy: -898.287 where: short stacking energy: -409.671 Base-Backbone interact. energy: -1.359 local terms energy: -499.675137 where: bonds (distance) C4'-P energy: -96.139 bonds (distance) P-C4' energy: -97.891 flat angles C4'-P-C4' energy: -106.323 flat angles P-C4'-P energy: -80.268 tors. eta vs tors. theta energy: -119.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1346.973869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.973869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.973869 (E_RNA) where: Base-Base interactions energy: -859.712 where: short stacking energy: -413.260 Base-Backbone interact. energy: -2.017 local terms energy: -485.244580 where: bonds (distance) C4'-P energy: -97.463 bonds (distance) P-C4' energy: -91.632 flat angles C4'-P-C4' energy: -113.298 flat angles P-C4'-P energy: -64.644 tors. eta vs tors. theta energy: -118.207 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: 3, replica: 10 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1270.689320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.689320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.689320 (E_RNA) where: Base-Base interactions energy: -835.998 where: short stacking energy: -400.067 Base-Backbone interact. energy: 2.871 local terms energy: -437.562557 where: bonds (distance) C4'-P energy: -88.694 bonds (distance) P-C4' energy: -89.732 flat angles C4'-P-C4' energy: -89.548 flat angles P-C4'-P energy: -67.958 tors. eta vs tors. theta energy: -101.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1164.691782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.691782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.691782 (E_RNA) where: Base-Base interactions energy: -734.471 where: short stacking energy: -343.741 Base-Backbone interact. energy: 3.286 local terms energy: -433.506603 where: bonds (distance) C4'-P energy: -76.945 bonds (distance) P-C4' energy: -95.922 flat angles C4'-P-C4' energy: -92.110 flat angles P-C4'-P energy: -72.446 tors. eta vs tors. theta energy: -96.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -903.674110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.674110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.674110 (E_RNA) where: Base-Base interactions energy: -521.583 where: short stacking energy: -278.625 Base-Backbone interact. energy: 3.451 local terms energy: -385.542673 where: bonds (distance) C4'-P energy: -83.851 bonds (distance) P-C4' energy: -90.536 flat angles C4'-P-C4' energy: -90.152 flat angles P-C4'-P energy: -63.509 tors. eta vs tors. theta energy: -57.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -878.892842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.892842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.892842 (E_RNA) where: Base-Base interactions energy: -506.404 where: short stacking energy: -270.538 Base-Backbone interact. energy: -1.833 local terms energy: -370.656359 where: bonds (distance) C4'-P energy: -87.867 bonds (distance) P-C4' energy: -94.431 flat angles C4'-P-C4' energy: -81.252 flat angles P-C4'-P energy: -51.695 tors. eta vs tors. theta energy: -55.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -719.982134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.982134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.982134 (E_RNA) where: Base-Base interactions energy: -398.935 where: short stacking energy: -209.893 Base-Backbone interact. energy: 7.271 local terms energy: -328.318580 where: bonds (distance) C4'-P energy: -83.568 bonds (distance) P-C4' energy: -78.066 flat angles C4'-P-C4' energy: -90.435 flat angles P-C4'-P energy: -48.497 tors. eta vs tors. theta energy: -27.753 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: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -522.075521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.075521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.075521 (E_RNA) where: Base-Base interactions energy: -248.041 where: short stacking energy: -151.642 Base-Backbone interact. energy: -1.185 local terms energy: -272.849301 where: bonds (distance) C4'-P energy: -76.526 bonds (distance) P-C4' energy: -92.995 flat angles C4'-P-C4' energy: -67.509 flat angles P-C4'-P energy: -41.372 tors. eta vs tors. theta energy: 5.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -502.023328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.023328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.023328 (E_RNA) where: Base-Base interactions energy: -226.944 where: short stacking energy: -145.789 Base-Backbone interact. energy: -1.215 local terms energy: -273.864399 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -81.877 flat angles C4'-P-C4' energy: -71.747 flat angles P-C4'-P energy: -40.364 tors. eta vs tors. theta energy: 2.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -354.717094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.717094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.717094 (E_RNA) where: Base-Base interactions energy: -97.730 where: short stacking energy: -67.323 Base-Backbone interact. energy: 2.257 local terms energy: -259.244653 where: bonds (distance) C4'-P energy: -90.506 bonds (distance) P-C4' energy: -77.294 flat angles C4'-P-C4' energy: -76.314 flat angles P-C4'-P energy: -47.047 tors. eta vs tors. theta energy: 31.916 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: 8 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1409.792546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.792546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.792546 (E_RNA) where: Base-Base interactions energy: -914.439 where: short stacking energy: -403.801 Base-Backbone interact. energy: -2.742 local terms energy: -492.611741 where: bonds (distance) C4'-P energy: -92.328 bonds (distance) P-C4' energy: -96.819 flat angles C4'-P-C4' energy: -109.005 flat angles P-C4'-P energy: -79.049 tors. eta vs tors. theta energy: -115.411 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: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1326.019548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.019548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.019548 (E_RNA) where: Base-Base interactions energy: -859.064 where: short stacking energy: -413.099 Base-Backbone interact. energy: -0.186 local terms energy: -466.768731 where: bonds (distance) C4'-P energy: -101.937 bonds (distance) P-C4' energy: -91.034 flat angles C4'-P-C4' energy: -94.994 flat angles P-C4'-P energy: -69.384 tors. eta vs tors. theta energy: -109.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1217.614969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.614969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.614969 (E_RNA) where: Base-Base interactions energy: -798.673 where: short stacking energy: -364.009 Base-Backbone interact. energy: -5.238 local terms energy: -413.703461 where: bonds (distance) C4'-P energy: -93.465 bonds (distance) P-C4' energy: -84.508 flat angles C4'-P-C4' energy: -96.536 flat angles P-C4'-P energy: -56.318 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: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1207.227263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.227263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.227263 (E_RNA) where: Base-Base interactions energy: -757.763 where: short stacking energy: -363.336 Base-Backbone interact. energy: -0.916 local terms energy: -448.548824 where: bonds (distance) C4'-P energy: -92.628 bonds (distance) P-C4' energy: -100.063 flat angles C4'-P-C4' energy: -97.248 flat angles P-C4'-P energy: -62.584 tors. eta vs tors. theta energy: -96.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -875.494096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.494096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.494096 (E_RNA) where: Base-Base interactions energy: -527.158 where: short stacking energy: -279.250 Base-Backbone interact. energy: -1.020 local terms energy: -347.316699 where: bonds (distance) C4'-P energy: -72.177 bonds (distance) P-C4' energy: -91.073 flat angles C4'-P-C4' energy: -76.624 flat angles P-C4'-P energy: -57.853 tors. eta vs tors. theta energy: -49.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -865.811240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.811240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.811240 (E_RNA) where: Base-Base interactions energy: -538.736 where: short stacking energy: -264.423 Base-Backbone interact. energy: -4.077 local terms energy: -322.997869 where: bonds (distance) C4'-P energy: -74.723 bonds (distance) P-C4' energy: -73.273 flat angles C4'-P-C4' energy: -70.402 flat angles P-C4'-P energy: -50.974 tors. eta vs tors. theta energy: -53.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -699.083618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.083618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.083618 (E_RNA) where: Base-Base interactions energy: -401.291 where: short stacking energy: -212.772 Base-Backbone interact. energy: -2.593 local terms energy: -295.200052 where: bonds (distance) C4'-P energy: -77.641 bonds (distance) P-C4' energy: -75.363 flat angles C4'-P-C4' energy: -75.098 flat angles P-C4'-P energy: -40.190 tors. eta vs tors. theta energy: -26.907 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: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -547.978684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.978684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.978684 (E_RNA) where: Base-Base interactions energy: -256.699 where: short stacking energy: -178.430 Base-Backbone interact. energy: -1.516 local terms energy: -289.764209 where: bonds (distance) C4'-P energy: -63.367 bonds (distance) P-C4' energy: -95.877 flat angles C4'-P-C4' energy: -67.114 flat angles P-C4'-P energy: -41.416 tors. eta vs tors. theta energy: -21.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -493.593888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.593888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.593888 (E_RNA) where: Base-Base interactions energy: -212.227 where: short stacking energy: -150.248 Base-Backbone interact. energy: -3.450 local terms energy: -277.916694 where: bonds (distance) C4'-P energy: -89.294 bonds (distance) P-C4' energy: -85.577 flat angles C4'-P-C4' energy: -66.192 flat angles P-C4'-P energy: -33.399 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -387.623811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.623811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.623811 (E_RNA) where: Base-Base interactions energy: -125.108 where: short stacking energy: -108.441 Base-Backbone interact. energy: -4.637 local terms energy: -257.879530 where: bonds (distance) C4'-P energy: -68.852 bonds (distance) P-C4' energy: -81.549 flat angles C4'-P-C4' energy: -80.446 flat angles P-C4'-P energy: -33.422 tors. eta vs tors. theta energy: 6.389 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: 8 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1409.966387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.966387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.966387 (E_RNA) where: Base-Base interactions energy: -920.831 where: short stacking energy: -402.552 Base-Backbone interact. energy: -2.837 local terms energy: -486.298684 where: bonds (distance) C4'-P energy: -93.052 bonds (distance) P-C4' energy: -94.462 flat angles C4'-P-C4' energy: -104.070 flat angles P-C4'-P energy: -76.421 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: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1345.036169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.036169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.036169 (E_RNA) where: Base-Base interactions energy: -868.062 where: short stacking energy: -408.058 Base-Backbone interact. energy: 0.103 local terms energy: -477.076823 where: bonds (distance) C4'-P energy: -84.667 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -108.138 flat angles P-C4'-P energy: -78.992 tors. eta vs tors. theta energy: -108.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1261.819864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.819864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.819864 (E_RNA) where: Base-Base interactions energy: -794.158 where: short stacking energy: -403.610 Base-Backbone interact. energy: 0.001 local terms energy: -467.663034 where: bonds (distance) C4'-P energy: -97.246 bonds (distance) P-C4' energy: -89.756 flat angles C4'-P-C4' energy: -106.993 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: -111.958 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: 10 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1165.237162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.237162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.237162 (E_RNA) where: Base-Base interactions energy: -733.516 where: short stacking energy: -355.658 Base-Backbone interact. energy: -1.494 local terms energy: -430.226865 where: bonds (distance) C4'-P energy: -94.780 bonds (distance) P-C4' energy: -90.562 flat angles C4'-P-C4' energy: -98.419 flat angles P-C4'-P energy: -56.159 tors. eta vs tors. theta energy: -90.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -941.230532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.230532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.230532 (E_RNA) where: Base-Base interactions energy: -535.925 where: short stacking energy: -301.043 Base-Backbone interact. energy: -2.302 local terms energy: -403.004058 where: bonds (distance) C4'-P energy: -92.574 bonds (distance) P-C4' energy: -89.815 flat angles C4'-P-C4' energy: -85.696 flat angles P-C4'-P energy: -63.905 tors. eta vs tors. theta energy: -71.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -803.295533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.295533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.295533 (E_RNA) where: Base-Base interactions energy: -456.228 where: short stacking energy: -239.883 Base-Backbone interact. energy: 0.026 local terms energy: -347.093238 where: bonds (distance) C4'-P energy: -77.154 bonds (distance) P-C4' energy: -89.082 flat angles C4'-P-C4' energy: -83.649 flat angles P-C4'-P energy: -59.932 tors. eta vs tors. theta energy: -37.277 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: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -712.200716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.200716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.200716 (E_RNA) where: Base-Base interactions energy: -383.473 where: short stacking energy: -199.733 Base-Backbone interact. energy: -2.785 local terms energy: -325.942298 where: bonds (distance) C4'-P energy: -73.683 bonds (distance) P-C4' energy: -83.536 flat angles C4'-P-C4' energy: -80.693 flat angles P-C4'-P energy: -54.888 tors. eta vs tors. theta energy: -33.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -565.250602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.250602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.250602 (E_RNA) where: Base-Base interactions energy: -282.017 where: short stacking energy: -150.160 Base-Backbone interact. energy: 2.619 local terms energy: -285.852203 where: bonds (distance) C4'-P energy: -77.816 bonds (distance) P-C4' energy: -68.460 flat angles C4'-P-C4' energy: -87.046 flat angles P-C4'-P energy: -45.532 tors. eta vs tors. theta energy: -6.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -465.327437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.327437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.327437 (E_RNA) where: Base-Base interactions energy: -187.044 where: short stacking energy: -135.001 Base-Backbone interact. energy: 1.488 local terms energy: -279.770967 where: bonds (distance) C4'-P energy: -88.377 bonds (distance) P-C4' energy: -90.722 flat angles C4'-P-C4' energy: -62.566 flat angles P-C4'-P energy: -43.894 tors. eta vs tors. theta energy: 5.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -387.700575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.700575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.700575 (E_RNA) where: Base-Base interactions energy: -115.756 where: short stacking energy: -86.721 Base-Backbone interact. energy: -2.094 local terms energy: -269.850598 where: bonds (distance) C4'-P energy: -79.072 bonds (distance) P-C4' energy: -82.331 flat angles C4'-P-C4' energy: -78.411 flat angles P-C4'-P energy: -45.689 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: 1, replica: 8 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1412.288346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.288346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.288346 (E_RNA) where: Base-Base interactions energy: -900.647 where: short stacking energy: -422.631 Base-Backbone interact. energy: -3.080 local terms energy: -508.561472 where: bonds (distance) C4'-P energy: -101.343 bonds (distance) P-C4' energy: -95.125 flat angles C4'-P-C4' energy: -114.651 flat angles P-C4'-P energy: -78.211 tors. eta vs tors. theta energy: -119.231 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: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1333.442705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.442705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.442705 (E_RNA) where: Base-Base interactions energy: -842.307 where: short stacking energy: -418.329 Base-Backbone interact. energy: 1.301 local terms energy: -492.436409 where: bonds (distance) C4'-P energy: -96.581 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -109.904 flat angles P-C4'-P energy: -70.098 tors. eta vs tors. theta energy: -121.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1284.060472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.060472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.060472 (E_RNA) where: Base-Base interactions energy: -815.570 where: short stacking energy: -399.531 Base-Backbone interact. energy: -3.833 local terms energy: -464.657785 where: bonds (distance) C4'-P energy: -93.492 bonds (distance) P-C4' energy: -93.841 flat angles C4'-P-C4' energy: -105.379 flat angles P-C4'-P energy: -59.418 tors. eta vs tors. theta energy: -112.528 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: 4, replica: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1157.180064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.180064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.180064 (E_RNA) where: Base-Base interactions energy: -737.763 where: short stacking energy: -328.901 Base-Backbone interact. energy: -1.051 local terms energy: -418.366059 where: bonds (distance) C4'-P energy: -81.932 bonds (distance) P-C4' energy: -88.484 flat angles C4'-P-C4' energy: -99.329 flat angles P-C4'-P energy: -61.848 tors. eta vs tors. theta energy: -86.774 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: 6 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -925.076070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.076070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.076070 (E_RNA) where: Base-Base interactions energy: -532.072 where: short stacking energy: -260.908 Base-Backbone interact. energy: -2.099 local terms energy: -390.904567 where: bonds (distance) C4'-P energy: -95.172 bonds (distance) P-C4' energy: -94.346 flat angles C4'-P-C4' energy: -91.254 flat angles P-C4'-P energy: -60.815 tors. eta vs tors. theta energy: -49.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -805.821581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.821581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.821581 (E_RNA) where: Base-Base interactions energy: -453.021 where: short stacking energy: -223.602 Base-Backbone interact. energy: -2.049 local terms energy: -350.751362 where: bonds (distance) C4'-P energy: -83.727 bonds (distance) P-C4' energy: -92.146 flat angles C4'-P-C4' energy: -87.741 flat angles P-C4'-P energy: -53.420 tors. eta vs tors. theta energy: -33.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -694.826829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.826829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.826829 (E_RNA) where: Base-Base interactions energy: -358.985 where: short stacking energy: -192.373 Base-Backbone interact. energy: -0.158 local terms energy: -335.683866 where: bonds (distance) C4'-P energy: -89.312 bonds (distance) P-C4' energy: -85.452 flat angles C4'-P-C4' energy: -85.523 flat angles P-C4'-P energy: -46.632 tors. eta vs tors. theta energy: -28.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -529.235091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.235091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.235091 (E_RNA) where: Base-Base interactions energy: -235.387 where: short stacking energy: -151.335 Base-Backbone interact. energy: 0.516 local terms energy: -294.363758 where: bonds (distance) C4'-P energy: -75.438 bonds (distance) P-C4' energy: -96.497 flat angles C4'-P-C4' energy: -64.341 flat angles P-C4'-P energy: -47.232 tors. eta vs tors. theta energy: -10.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -414.144328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.144328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.144328 (E_RNA) where: Base-Base interactions energy: -145.298 where: short stacking energy: -133.458 Base-Backbone interact. energy: -1.623 local terms energy: -267.223211 where: bonds (distance) C4'-P energy: -70.433 bonds (distance) P-C4' energy: -76.694 flat angles C4'-P-C4' energy: -68.925 flat angles P-C4'-P energy: -50.566 tors. eta vs tors. theta energy: -0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -353.548265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.548265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.548265 (E_RNA) where: Base-Base interactions energy: -116.907 where: short stacking energy: -109.398 Base-Backbone interact. energy: 5.891 local terms energy: -242.532599 where: bonds (distance) C4'-P energy: -83.386 bonds (distance) P-C4' energy: -74.726 flat angles C4'-P-C4' energy: -74.651 flat angles P-C4'-P energy: -25.988 tors. eta vs tors. theta energy: 16.219 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: 8 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1426.291445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.291445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.291445 (E_RNA) where: Base-Base interactions energy: -925.525 where: short stacking energy: -422.310 Base-Backbone interact. energy: -2.467 local terms energy: -498.300308 where: bonds (distance) C4'-P energy: -101.228 bonds (distance) P-C4' energy: -88.804 flat angles C4'-P-C4' energy: -114.447 flat angles P-C4'-P energy: -65.500 tors. eta vs tors. theta energy: -128.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1330.033664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.033664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.033664 (E_RNA) where: Base-Base interactions energy: -895.667 where: short stacking energy: -419.378 Base-Backbone interact. energy: -0.491 local terms energy: -433.876026 where: bonds (distance) C4'-P energy: -84.098 bonds (distance) P-C4' energy: -91.560 flat angles C4'-P-C4' energy: -79.595 flat angles P-C4'-P energy: -59.495 tors. eta vs tors. theta energy: -119.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1197.458639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.458639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.458639 (E_RNA) where: Base-Base interactions energy: -755.846 where: short stacking energy: -374.092 Base-Backbone interact. energy: -0.966 local terms energy: -440.646996 where: bonds (distance) C4'-P energy: -81.343 bonds (distance) P-C4' energy: -93.686 flat angles C4'-P-C4' energy: -93.285 flat angles P-C4'-P energy: -66.459 tors. eta vs tors. theta energy: -105.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1223.637877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.637877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.637877 (E_RNA) where: Base-Base interactions energy: -771.213 where: short stacking energy: -371.167 Base-Backbone interact. energy: -1.386 local terms energy: -451.038684 where: bonds (distance) C4'-P energy: -89.889 bonds (distance) P-C4' energy: -95.833 flat angles C4'-P-C4' energy: -89.586 flat angles P-C4'-P energy: -67.597 tors. eta vs tors. theta energy: -108.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -938.104842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.104842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.104842 (E_RNA) where: Base-Base interactions energy: -538.479 where: short stacking energy: -286.823 Base-Backbone interact. energy: 3.716 local terms energy: -403.341193 where: bonds (distance) C4'-P energy: -94.950 bonds (distance) P-C4' energy: -95.882 flat angles C4'-P-C4' energy: -87.470 flat angles P-C4'-P energy: -63.227 tors. eta vs tors. theta energy: -61.813 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: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -850.675457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.675457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.675457 (E_RNA) where: Base-Base interactions energy: -475.019 where: short stacking energy: -240.242 Base-Backbone interact. energy: -0.975 local terms energy: -374.681501 where: bonds (distance) C4'-P energy: -84.629 bonds (distance) P-C4' energy: -104.843 flat angles C4'-P-C4' energy: -86.770 flat angles P-C4'-P energy: -51.792 tors. eta vs tors. theta energy: -46.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -712.049160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.049160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.049160 (E_RNA) where: Base-Base interactions energy: -382.338 where: short stacking energy: -219.024 Base-Backbone interact. energy: 0.194 local terms energy: -329.905500 where: bonds (distance) C4'-P energy: -75.553 bonds (distance) P-C4' energy: -71.704 flat angles C4'-P-C4' energy: -88.633 flat angles P-C4'-P energy: -62.513 tors. eta vs tors. theta energy: -31.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -575.833298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.833298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.833298 (E_RNA) where: Base-Base interactions energy: -252.224 where: short stacking energy: -159.310 Base-Backbone interact. energy: -1.428 local terms energy: -322.181044 where: bonds (distance) C4'-P energy: -79.678 bonds (distance) P-C4' energy: -94.033 flat angles C4'-P-C4' energy: -75.012 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -16.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -415.016622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.016622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.016622 (E_RNA) where: Base-Base interactions energy: -153.337 where: short stacking energy: -116.579 Base-Backbone interact. energy: -1.219 local terms energy: -260.460807 where: bonds (distance) C4'-P energy: -81.068 bonds (distance) P-C4' energy: -84.864 flat angles C4'-P-C4' energy: -60.185 flat angles P-C4'-P energy: -47.511 tors. eta vs tors. theta energy: 13.167 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: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -372.315083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.315083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.315083 (E_RNA) where: Base-Base interactions energy: -130.114 where: short stacking energy: -90.729 Base-Backbone interact. energy: -1.673 local terms energy: -240.528077 where: bonds (distance) C4'-P energy: -78.489 bonds (distance) P-C4' energy: -64.378 flat angles C4'-P-C4' energy: -68.643 flat angles P-C4'-P energy: -49.156 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: 1, replica: 8 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1451.770377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.770377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.770377 (E_RNA) where: Base-Base interactions energy: -956.236 where: short stacking energy: -451.931 Base-Backbone interact. energy: -2.462 local terms energy: -493.071968 where: bonds (distance) C4'-P energy: -83.309 bonds (distance) P-C4' energy: -99.815 flat angles C4'-P-C4' energy: -103.853 flat angles P-C4'-P energy: -70.677 tors. eta vs tors. theta energy: -135.417 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: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1356.345689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.345689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.345689 (E_RNA) where: Base-Base interactions energy: -888.518 where: short stacking energy: -428.462 Base-Backbone interact. energy: -1.864 local terms energy: -465.963790 where: bonds (distance) C4'-P energy: -84.117 bonds (distance) P-C4' energy: -84.759 flat angles C4'-P-C4' energy: -110.667 flat angles P-C4'-P energy: -57.861 tors. eta vs tors. theta energy: -128.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1203.810740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.810740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.810740 (E_RNA) where: Base-Base interactions energy: -775.596 where: short stacking energy: -392.282 Base-Backbone interact. energy: -1.092 local terms energy: -427.122149 where: bonds (distance) C4'-P energy: -93.908 bonds (distance) P-C4' energy: -83.816 flat angles C4'-P-C4' energy: -90.085 flat angles P-C4'-P energy: -58.003 tors. eta vs tors. theta energy: -101.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1195.617249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.617249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.617249 (E_RNA) where: Base-Base interactions energy: -774.905 where: short stacking energy: -352.023 Base-Backbone interact. energy: -0.310 local terms energy: -420.401905 where: bonds (distance) C4'-P energy: -91.953 bonds (distance) P-C4' energy: -88.481 flat angles C4'-P-C4' energy: -97.716 flat angles P-C4'-P energy: -51.223 tors. eta vs tors. theta energy: -91.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -941.982885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.982885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.982885 (E_RNA) where: Base-Base interactions energy: -566.785 where: short stacking energy: -292.304 Base-Backbone interact. energy: 1.921 local terms energy: -377.118179 where: bonds (distance) C4'-P energy: -74.874 bonds (distance) P-C4' energy: -97.178 flat angles C4'-P-C4' energy: -89.560 flat angles P-C4'-P energy: -47.979 tors. eta vs tors. theta energy: -67.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -849.635164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.635164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.635164 (E_RNA) where: Base-Base interactions energy: -478.552 where: short stacking energy: -237.964 Base-Backbone interact. energy: -1.973 local terms energy: -369.110639 where: bonds (distance) C4'-P energy: -88.626 bonds (distance) P-C4' energy: -90.196 flat angles C4'-P-C4' energy: -89.830 flat angles P-C4'-P energy: -60.457 tors. eta vs tors. theta energy: -40.001 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: 1 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -706.141686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.141686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.141686 (E_RNA) where: Base-Base interactions energy: -384.560 where: short stacking energy: -196.614 Base-Backbone interact. energy: -3.302 local terms energy: -318.280252 where: bonds (distance) C4'-P energy: -84.085 bonds (distance) P-C4' energy: -86.540 flat angles C4'-P-C4' energy: -88.573 flat angles P-C4'-P energy: -40.868 tors. eta vs tors. theta energy: -18.215 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: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -575.522324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.522324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.522324 (E_RNA) where: Base-Base interactions energy: -251.480 where: short stacking energy: -172.019 Base-Backbone interact. energy: -0.954 local terms energy: -323.088067 where: bonds (distance) C4'-P energy: -78.362 bonds (distance) P-C4' energy: -90.336 flat angles C4'-P-C4' energy: -78.570 flat angles P-C4'-P energy: -37.573 tors. eta vs tors. theta energy: -38.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -456.411172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.411172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.411172 (E_RNA) where: Base-Base interactions energy: -189.370 where: short stacking energy: -121.977 Base-Backbone interact. energy: 2.447 local terms energy: -269.487960 where: bonds (distance) C4'-P energy: -77.825 bonds (distance) P-C4' energy: -95.728 flat angles C4'-P-C4' energy: -62.463 flat angles P-C4'-P energy: -42.471 tors. eta vs tors. theta energy: 8.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -378.750654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.750654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.750654 (E_RNA) where: Base-Base interactions energy: -120.827 where: short stacking energy: -99.504 Base-Backbone interact. energy: -0.874 local terms energy: -257.050366 where: bonds (distance) C4'-P energy: -69.037 bonds (distance) P-C4' energy: -88.676 flat angles C4'-P-C4' energy: -79.744 flat angles P-C4'-P energy: -33.798 tors. eta vs tors. theta energy: 14.204 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: 8 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1440.539618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.539618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.539618 (E_RNA) where: Base-Base interactions energy: -953.961 where: short stacking energy: -448.381 Base-Backbone interact. energy: -0.454 local terms energy: -486.125207 where: bonds (distance) C4'-P energy: -84.560 bonds (distance) P-C4' energy: -100.711 flat angles C4'-P-C4' energy: -101.760 flat angles P-C4'-P energy: -66.062 tors. eta vs tors. theta energy: -133.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1339.211089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.211089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.211089 (E_RNA) where: Base-Base interactions energy: -858.929 where: short stacking energy: -413.701 Base-Backbone interact. energy: 0.534 local terms energy: -480.815407 where: bonds (distance) C4'-P energy: -96.173 bonds (distance) P-C4' energy: -96.814 flat angles C4'-P-C4' energy: -101.583 flat angles P-C4'-P energy: -64.914 tors. eta vs tors. theta energy: -121.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1239.323235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.323235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.323235 (E_RNA) where: Base-Base interactions energy: -771.639 where: short stacking energy: -372.787 Base-Backbone interact. energy: -1.412 local terms energy: -466.272729 where: bonds (distance) C4'-P energy: -93.952 bonds (distance) P-C4' energy: -100.166 flat angles C4'-P-C4' energy: -100.967 flat angles P-C4'-P energy: -68.212 tors. eta vs tors. theta energy: -102.976 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: 10 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1151.606874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.606874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.606874 (E_RNA) where: Base-Base interactions energy: -709.934 where: short stacking energy: -359.290 Base-Backbone interact. energy: -0.820 local terms energy: -440.852349 where: bonds (distance) C4'-P energy: -99.756 bonds (distance) P-C4' energy: -92.827 flat angles C4'-P-C4' energy: -95.466 flat angles P-C4'-P energy: -62.241 tors. eta vs tors. theta energy: -90.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1007.498057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.498057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.498057 (E_RNA) where: Base-Base interactions energy: -630.761 where: short stacking energy: -327.644 Base-Backbone interact. energy: 1.521 local terms energy: -378.258803 where: bonds (distance) C4'-P energy: -85.530 bonds (distance) P-C4' energy: -74.993 flat angles C4'-P-C4' energy: -87.231 flat angles P-C4'-P energy: -62.623 tors. eta vs tors. theta energy: -67.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -803.797142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.797142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.797142 (E_RNA) where: Base-Base interactions energy: -460.589 where: short stacking energy: -222.674 Base-Backbone interact. energy: 1.627 local terms energy: -344.834838 where: bonds (distance) C4'-P energy: -87.141 bonds (distance) P-C4' energy: -87.307 flat angles C4'-P-C4' energy: -96.342 flat angles P-C4'-P energy: -44.802 tors. eta vs tors. theta energy: -29.242 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: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -724.570937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.570937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.570937 (E_RNA) where: Base-Base interactions energy: -397.429 where: short stacking energy: -218.279 Base-Backbone interact. energy: -0.599 local terms energy: -326.543128 where: bonds (distance) C4'-P energy: -81.652 bonds (distance) P-C4' energy: -83.538 flat angles C4'-P-C4' energy: -73.866 flat angles P-C4'-P energy: -51.049 tors. eta vs tors. theta energy: -36.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -591.510680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.510680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.510680 (E_RNA) where: Base-Base interactions energy: -290.590 where: short stacking energy: -168.763 Base-Backbone interact. energy: -0.639 local terms energy: -300.281834 where: bonds (distance) C4'-P energy: -70.115 bonds (distance) P-C4' energy: -88.488 flat angles C4'-P-C4' energy: -86.729 flat angles P-C4'-P energy: -39.057 tors. eta vs tors. theta energy: -15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -423.947864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.947864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.947864 (E_RNA) where: Base-Base interactions energy: -166.101 where: short stacking energy: -122.913 Base-Backbone interact. energy: -2.622 local terms energy: -255.225225 where: bonds (distance) C4'-P energy: -72.999 bonds (distance) P-C4' energy: -91.004 flat angles C4'-P-C4' energy: -60.852 flat angles P-C4'-P energy: -45.104 tors. eta vs tors. theta energy: 14.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -395.790899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.790899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.790899 (E_RNA) where: Base-Base interactions energy: -127.541 where: short stacking energy: -90.599 Base-Backbone interact. energy: -0.502 local terms energy: -267.748621 where: bonds (distance) C4'-P energy: -76.112 bonds (distance) P-C4' energy: -95.272 flat angles C4'-P-C4' energy: -54.406 flat angles P-C4'-P energy: -42.017 tors. eta vs tors. theta energy: 0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1451.218374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.218374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.218374 (E_RNA) where: Base-Base interactions energy: -944.152 where: short stacking energy: -444.555 Base-Backbone interact. energy: -3.604 local terms energy: -503.462714 where: bonds (distance) C4'-P energy: -97.357 bonds (distance) P-C4' energy: -98.865 flat angles C4'-P-C4' energy: -112.221 flat angles P-C4'-P energy: -66.957 tors. eta vs tors. theta energy: -128.062 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: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1358.410349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.410349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.410349 (E_RNA) where: Base-Base interactions energy: -885.728 where: short stacking energy: -411.714 Base-Backbone interact. energy: -1.472 local terms energy: -471.210078 where: bonds (distance) C4'-P energy: -90.271 bonds (distance) P-C4' energy: -88.870 flat angles C4'-P-C4' energy: -100.429 flat angles P-C4'-P energy: -70.024 tors. eta vs tors. theta energy: -121.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1271.314834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.314834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.314834 (E_RNA) where: Base-Base interactions energy: -824.267 where: short stacking energy: -396.168 Base-Backbone interact. energy: -2.334 local terms energy: -444.714541 where: bonds (distance) C4'-P energy: -89.017 bonds (distance) P-C4' energy: -90.007 flat angles C4'-P-C4' energy: -104.009 flat angles P-C4'-P energy: -52.356 tors. eta vs tors. theta energy: -109.325 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: 10 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1140.636047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.636047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.636047 (E_RNA) where: Base-Base interactions energy: -699.611 where: short stacking energy: -363.986 Base-Backbone interact. energy: -0.153 local terms energy: -440.871927 where: bonds (distance) C4'-P energy: -95.216 bonds (distance) P-C4' energy: -87.588 flat angles C4'-P-C4' energy: -97.339 flat angles P-C4'-P energy: -64.847 tors. eta vs tors. theta energy: -95.883 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: 5, replica: 6 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -989.115950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.115950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.115950 (E_RNA) where: Base-Base interactions energy: -614.359 where: short stacking energy: -307.849 Base-Backbone interact. energy: -0.371 local terms energy: -374.385616 where: bonds (distance) C4'-P energy: -75.609 bonds (distance) P-C4' energy: -87.320 flat angles C4'-P-C4' energy: -81.586 flat angles P-C4'-P energy: -57.732 tors. eta vs tors. theta energy: -72.139 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: 6, replica: 3 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -815.854417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.854417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.854417 (E_RNA) where: Base-Base interactions energy: -479.880 where: short stacking energy: -225.862 Base-Backbone interact. energy: -2.062 local terms energy: -333.913143 where: bonds (distance) C4'-P energy: -81.129 bonds (distance) P-C4' energy: -77.364 flat angles C4'-P-C4' energy: -98.301 flat angles P-C4'-P energy: -38.557 tors. eta vs tors. theta energy: -38.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -754.217779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.217779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.217779 (E_RNA) where: Base-Base interactions energy: -423.784 where: short stacking energy: -228.137 Base-Backbone interact. energy: -0.420 local terms energy: -330.013446 where: bonds (distance) C4'-P energy: -81.039 bonds (distance) P-C4' energy: -84.167 flat angles C4'-P-C4' energy: -64.797 flat angles P-C4'-P energy: -57.897 tors. eta vs tors. theta energy: -42.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -559.678387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.678387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.678387 (E_RNA) where: Base-Base interactions energy: -268.643 where: short stacking energy: -164.779 Base-Backbone interact. energy: -1.110 local terms energy: -289.926110 where: bonds (distance) C4'-P energy: -79.721 bonds (distance) P-C4' energy: -92.983 flat angles C4'-P-C4' energy: -64.820 flat angles P-C4'-P energy: -39.392 tors. eta vs tors. theta energy: -13.009 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: 5 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -406.396781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.396781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.396781 (E_RNA) where: Base-Base interactions energy: -144.464 where: short stacking energy: -128.206 Base-Backbone interact. energy: -0.525 local terms energy: -261.407688 where: bonds (distance) C4'-P energy: -83.244 bonds (distance) P-C4' energy: -75.179 flat angles C4'-P-C4' energy: -78.900 flat angles P-C4'-P energy: -33.400 tors. eta vs tors. theta energy: 9.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -390.337157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.337157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.337157 (E_RNA) where: Base-Base interactions energy: -125.443 where: short stacking energy: -94.415 Base-Backbone interact. energy: 1.479 local terms energy: -266.372481 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -98.972 flat angles C4'-P-C4' energy: -64.803 flat angles P-C4'-P energy: -47.584 tors. eta vs tors. theta energy: 27.046 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: 8 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1430.192705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.192705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.192705 (E_RNA) where: Base-Base interactions energy: -935.521 where: short stacking energy: -415.264 Base-Backbone interact. energy: 0.676 local terms energy: -495.346803 where: bonds (distance) C4'-P energy: -89.599 bonds (distance) P-C4' energy: -102.257 flat angles C4'-P-C4' energy: -109.077 flat angles P-C4'-P energy: -77.414 tors. eta vs tors. theta energy: -117.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1381.640183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.640183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.640183 (E_RNA) where: Base-Base interactions energy: -896.109 where: short stacking energy: -430.474 Base-Backbone interact. energy: 0.958 local terms energy: -486.489754 where: bonds (distance) C4'-P energy: -96.234 bonds (distance) P-C4' energy: -92.300 flat angles C4'-P-C4' energy: -99.387 flat angles P-C4'-P energy: -79.873 tors. eta vs tors. theta energy: -118.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1259.453543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.453543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.453543 (E_RNA) where: Base-Base interactions energy: -810.814 where: short stacking energy: -371.383 Base-Backbone interact. energy: -0.744 local terms energy: -447.895390 where: bonds (distance) C4'-P energy: -87.803 bonds (distance) P-C4' energy: -91.863 flat angles C4'-P-C4' energy: -105.347 flat angles P-C4'-P energy: -60.762 tors. eta vs tors. theta energy: -102.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1122.796779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.796779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.796779 (E_RNA) where: Base-Base interactions energy: -709.715 where: short stacking energy: -365.914 Base-Backbone interact. energy: -0.127 local terms energy: -412.954597 where: bonds (distance) C4'-P energy: -92.102 bonds (distance) P-C4' energy: -83.740 flat angles C4'-P-C4' energy: -80.106 flat angles P-C4'-P energy: -55.964 tors. eta vs tors. theta energy: -101.043 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: 5, replica: 6 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -985.354488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.354488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.354488 (E_RNA) where: Base-Base interactions energy: -616.857 where: short stacking energy: -290.025 Base-Backbone interact. energy: -1.396 local terms energy: -367.100705 where: bonds (distance) C4'-P energy: -90.744 bonds (distance) P-C4' energy: -78.371 flat angles C4'-P-C4' energy: -89.260 flat angles P-C4'-P energy: -55.391 tors. eta vs tors. theta energy: -53.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -812.867773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.867773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.867773 (E_RNA) where: Base-Base interactions energy: -459.584 where: short stacking energy: -225.473 Base-Backbone interact. energy: -0.120 local terms energy: -353.163686 where: bonds (distance) C4'-P energy: -81.026 bonds (distance) P-C4' energy: -98.371 flat angles C4'-P-C4' energy: -78.140 flat angles P-C4'-P energy: -54.179 tors. eta vs tors. theta energy: -41.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -698.997318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.997318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.997318 (E_RNA) where: Base-Base interactions energy: -384.967 where: short stacking energy: -214.056 Base-Backbone interact. energy: 3.190 local terms energy: -317.220681 where: bonds (distance) C4'-P energy: -74.957 bonds (distance) P-C4' energy: -81.766 flat angles C4'-P-C4' energy: -80.145 flat angles P-C4'-P energy: -50.350 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: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -515.741598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.741598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.741598 (E_RNA) where: Base-Base interactions energy: -250.397 where: short stacking energy: -142.542 Base-Backbone interact. energy: -1.025 local terms energy: -264.319958 where: bonds (distance) C4'-P energy: -78.518 bonds (distance) P-C4' energy: -90.695 flat angles C4'-P-C4' energy: -79.993 flat angles P-C4'-P energy: -20.731 tors. eta vs tors. theta energy: 5.616 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: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -414.276064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.276064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.276064 (E_RNA) where: Base-Base interactions energy: -143.562 where: short stacking energy: -118.737 Base-Backbone interact. energy: 0.364 local terms energy: -271.077803 where: bonds (distance) C4'-P energy: -83.166 bonds (distance) P-C4' energy: -91.769 flat angles C4'-P-C4' energy: -70.993 flat angles P-C4'-P energy: -45.881 tors. eta vs tors. theta energy: 20.731 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: 10, replica: 5 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -384.829283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.829283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.829283 (E_RNA) where: Base-Base interactions energy: -139.688 where: short stacking energy: -110.262 Base-Backbone interact. energy: 1.566 local terms energy: -246.706806 where: bonds (distance) C4'-P energy: -56.947 bonds (distance) P-C4' energy: -70.155 flat angles C4'-P-C4' energy: -89.125 flat angles P-C4'-P energy: -31.238 tors. eta vs tors. theta energy: 0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1443.798779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.798779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.798779 (E_RNA) where: Base-Base interactions energy: -961.206 where: short stacking energy: -436.497 Base-Backbone interact. energy: -1.551 local terms energy: -481.041332 where: bonds (distance) C4'-P energy: -95.476 bonds (distance) P-C4' energy: -100.273 flat angles C4'-P-C4' energy: -97.179 flat angles P-C4'-P energy: -65.633 tors. eta vs tors. theta energy: -122.481 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: 55 Temperature: 0.950000 Total energy: -1330.882753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.882753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.882753 (E_RNA) where: Base-Base interactions energy: -862.896 where: short stacking energy: -429.556 Base-Backbone interact. energy: -0.819 local terms energy: -467.168061 where: bonds (distance) C4'-P energy: -86.719 bonds (distance) P-C4' energy: -89.999 flat angles C4'-P-C4' energy: -101.703 flat angles P-C4'-P energy: -62.009 tors. eta vs tors. theta energy: -126.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1278.738529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.738529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.738529 (E_RNA) where: Base-Base interactions energy: -822.964 where: short stacking energy: -385.018 Base-Backbone interact. energy: -2.372 local terms energy: -453.402830 where: bonds (distance) C4'-P energy: -91.346 bonds (distance) P-C4' energy: -86.565 flat angles C4'-P-C4' energy: -101.502 flat angles P-C4'-P energy: -76.240 tors. eta vs tors. theta energy: -97.750 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: 10 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1106.721117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.721117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.721117 (E_RNA) where: Base-Base interactions energy: -655.731 where: short stacking energy: -331.733 Base-Backbone interact. energy: -1.697 local terms energy: -449.293063 where: bonds (distance) C4'-P energy: -94.442 bonds (distance) P-C4' energy: -93.619 flat angles C4'-P-C4' energy: -103.768 flat angles P-C4'-P energy: -70.871 tors. eta vs tors. theta energy: -86.592 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: 55 Temperature: 1.100000 Total energy: -963.978786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.978786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.978786 (E_RNA) where: Base-Base interactions energy: -591.925 where: short stacking energy: -275.753 Base-Backbone interact. energy: 2.322 local terms energy: -374.375123 where: bonds (distance) C4'-P energy: -82.314 bonds (distance) P-C4' energy: -95.365 flat angles C4'-P-C4' energy: -85.662 flat angles P-C4'-P energy: -54.281 tors. eta vs tors. theta energy: -56.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -917.619631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.619631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.619631 (E_RNA) where: Base-Base interactions energy: -559.705 where: short stacking energy: -289.543 Base-Backbone interact. energy: -5.647 local terms energy: -352.266809 where: bonds (distance) C4'-P energy: -72.756 bonds (distance) P-C4' energy: -85.466 flat angles C4'-P-C4' energy: -86.351 flat angles P-C4'-P energy: -53.685 tors. eta vs tors. theta energy: -54.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -698.392895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.392895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.392895 (E_RNA) where: Base-Base interactions energy: -395.229 where: short stacking energy: -213.136 Base-Backbone interact. energy: -0.888 local terms energy: -302.275656 where: bonds (distance) C4'-P energy: -85.270 bonds (distance) P-C4' energy: -67.458 flat angles C4'-P-C4' energy: -80.978 flat angles P-C4'-P energy: -46.307 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: 8, replica: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -498.784654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.784654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.784654 (E_RNA) where: Base-Base interactions energy: -221.722 where: short stacking energy: -147.315 Base-Backbone interact. energy: 1.444 local terms energy: -278.506871 where: bonds (distance) C4'-P energy: -69.301 bonds (distance) P-C4' energy: -84.540 flat angles C4'-P-C4' energy: -74.836 flat angles P-C4'-P energy: -55.886 tors. eta vs tors. theta energy: 6.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -414.476854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.476854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.476854 (E_RNA) where: Base-Base interactions energy: -159.566 where: short stacking energy: -129.093 Base-Backbone interact. energy: 3.717 local terms energy: -258.627327 where: bonds (distance) C4'-P energy: -79.868 bonds (distance) P-C4' energy: -84.494 flat angles C4'-P-C4' energy: -72.935 flat angles P-C4'-P energy: -35.579 tors. eta vs tors. theta energy: 14.248 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: 10, replica: 5 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -383.369023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.369023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.369023 (E_RNA) where: Base-Base interactions energy: -115.473 where: short stacking energy: -99.307 Base-Backbone interact. energy: 3.831 local terms energy: -271.727715 where: bonds (distance) C4'-P energy: -83.290 bonds (distance) P-C4' energy: -86.810 flat angles C4'-P-C4' energy: -72.611 flat angles P-C4'-P energy: -50.694 tors. eta vs tors. theta energy: 21.678 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: 8 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1435.296261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.296261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.296261 (E_RNA) where: Base-Base interactions energy: -942.743 where: short stacking energy: -455.334 Base-Backbone interact. energy: 0.319 local terms energy: -492.871948 where: bonds (distance) C4'-P energy: -85.730 bonds (distance) P-C4' energy: -90.858 flat angles C4'-P-C4' energy: -110.109 flat angles P-C4'-P energy: -70.216 tors. eta vs tors. theta energy: -135.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1359.192134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.192134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.192134 (E_RNA) where: Base-Base interactions energy: -850.614 where: short stacking energy: -425.607 Base-Backbone interact. energy: -1.143 local terms energy: -507.434677 where: bonds (distance) C4'-P energy: -100.126 bonds (distance) P-C4' energy: -94.769 flat angles C4'-P-C4' energy: -105.004 flat angles P-C4'-P energy: -81.901 tors. eta vs tors. theta energy: -125.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1298.202078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.202078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.202078 (E_RNA) where: Base-Base interactions energy: -855.706 where: short stacking energy: -390.740 Base-Backbone interact. energy: -0.012 local terms energy: -442.484360 where: bonds (distance) C4'-P energy: -83.979 bonds (distance) P-C4' energy: -91.801 flat angles C4'-P-C4' energy: -97.882 flat angles P-C4'-P energy: -65.086 tors. eta vs tors. theta energy: -103.736 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: 10 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1109.883901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.883901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.883901 (E_RNA) where: Base-Base interactions energy: -684.085 where: short stacking energy: -352.072 Base-Backbone interact. energy: -0.148 local terms energy: -425.651067 where: bonds (distance) C4'-P energy: -89.581 bonds (distance) P-C4' energy: -92.228 flat angles C4'-P-C4' energy: -90.108 flat angles P-C4'-P energy: -62.951 tors. eta vs tors. theta energy: -90.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1007.271267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.271267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.271267 (E_RNA) where: Base-Base interactions energy: -589.703 where: short stacking energy: -313.002 Base-Backbone interact. energy: 0.515 local terms energy: -418.083286 where: bonds (distance) C4'-P energy: -97.912 bonds (distance) P-C4' energy: -94.508 flat angles C4'-P-C4' energy: -96.226 flat angles P-C4'-P energy: -62.510 tors. eta vs tors. theta energy: -66.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -938.441900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.441900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.441900 (E_RNA) where: Base-Base interactions energy: -555.844 where: short stacking energy: -272.565 Base-Backbone interact. energy: -1.397 local terms energy: -381.200898 where: bonds (distance) C4'-P energy: -90.683 bonds (distance) P-C4' energy: -80.306 flat angles C4'-P-C4' energy: -86.638 flat angles P-C4'-P energy: -61.870 tors. eta vs tors. theta energy: -61.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -672.748623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.748623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.748623 (E_RNA) where: Base-Base interactions energy: -356.926 where: short stacking energy: -203.423 Base-Backbone interact. energy: 4.210 local terms energy: -320.033315 where: bonds (distance) C4'-P energy: -82.588 bonds (distance) P-C4' energy: -86.877 flat angles C4'-P-C4' energy: -85.237 flat angles P-C4'-P energy: -47.085 tors. eta vs tors. theta energy: -18.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -523.756493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.756493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.756493 (E_RNA) where: Base-Base interactions energy: -230.617 where: short stacking energy: -159.496 Base-Backbone interact. energy: 0.427 local terms energy: -293.565845 where: bonds (distance) C4'-P energy: -80.196 bonds (distance) P-C4' energy: -84.793 flat angles C4'-P-C4' energy: -83.197 flat angles P-C4'-P energy: -35.487 tors. eta vs tors. theta energy: -9.892 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: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -413.745931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.745931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.745931 (E_RNA) where: Base-Base interactions energy: -161.232 where: short stacking energy: -130.808 Base-Backbone interact. energy: 2.464 local terms energy: -254.978701 where: bonds (distance) C4'-P energy: -82.590 bonds (distance) P-C4' energy: -68.809 flat angles C4'-P-C4' energy: -77.616 flat angles P-C4'-P energy: -30.652 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: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -360.024019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.024019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.024019 (E_RNA) where: Base-Base interactions energy: -128.965 where: short stacking energy: -113.800 Base-Backbone interact. energy: 2.110 local terms energy: -233.169241 where: bonds (distance) C4'-P energy: -76.232 bonds (distance) P-C4' energy: -80.699 flat angles C4'-P-C4' energy: -62.888 flat angles P-C4'-P energy: -27.373 tors. eta vs tors. theta energy: 14.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1438.903330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.903330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.903330 (E_RNA) where: Base-Base interactions energy: -941.374 where: short stacking energy: -427.670 Base-Backbone interact. energy: -2.202 local terms energy: -495.327777 where: bonds (distance) C4'-P energy: -96.317 bonds (distance) P-C4' energy: -90.606 flat angles C4'-P-C4' energy: -103.593 flat angles P-C4'-P energy: -80.130 tors. eta vs tors. theta energy: -124.682 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: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1341.921055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.921055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.921055 (E_RNA) where: Base-Base interactions energy: -854.155 where: short stacking energy: -379.841 Base-Backbone interact. energy: -1.419 local terms energy: -486.347230 where: bonds (distance) C4'-P energy: -90.502 bonds (distance) P-C4' energy: -98.543 flat angles C4'-P-C4' energy: -100.567 flat angles P-C4'-P energy: -73.890 tors. eta vs tors. theta energy: -122.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1339.311867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.311867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.311867 (E_RNA) where: Base-Base interactions energy: -853.599 where: short stacking energy: -408.601 Base-Backbone interact. energy: -0.716 local terms energy: -484.996263 where: bonds (distance) C4'-P energy: -90.773 bonds (distance) P-C4' energy: -106.699 flat angles C4'-P-C4' energy: -102.424 flat angles P-C4'-P energy: -73.379 tors. eta vs tors. theta energy: -111.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1073.282793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.282793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.282793 (E_RNA) where: Base-Base interactions energy: -669.338 where: short stacking energy: -336.018 Base-Backbone interact. energy: -1.872 local terms energy: -402.072987 where: bonds (distance) C4'-P energy: -81.425 bonds (distance) P-C4' energy: -94.129 flat angles C4'-P-C4' energy: -90.987 flat angles P-C4'-P energy: -53.588 tors. eta vs tors. theta energy: -81.944 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: 57 Temperature: 1.100000 Total energy: -902.726302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.726302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.726302 (E_RNA) where: Base-Base interactions energy: -492.944 where: short stacking energy: -260.115 Base-Backbone interact. energy: 0.275 local terms energy: -410.057558 where: bonds (distance) C4'-P energy: -94.982 bonds (distance) P-C4' energy: -86.141 flat angles C4'-P-C4' energy: -95.614 flat angles P-C4'-P energy: -74.151 tors. eta vs tors. theta energy: -59.171 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: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -910.822422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.822422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.822422 (E_RNA) where: Base-Base interactions energy: -536.154 where: short stacking energy: -276.578 Base-Backbone interact. energy: -0.497 local terms energy: -374.171152 where: bonds (distance) C4'-P energy: -86.904 bonds (distance) P-C4' energy: -92.360 flat angles C4'-P-C4' energy: -94.328 flat angles P-C4'-P energy: -51.995 tors. eta vs tors. theta energy: -48.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -701.212267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.212267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.212267 (E_RNA) where: Base-Base interactions energy: -371.512 where: short stacking energy: -208.464 Base-Backbone interact. energy: -0.731 local terms energy: -328.969000 where: bonds (distance) C4'-P energy: -77.906 bonds (distance) P-C4' energy: -84.754 flat angles C4'-P-C4' energy: -80.465 flat angles P-C4'-P energy: -50.687 tors. eta vs tors. theta energy: -35.157 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: 57 Temperature: 1.250000 Total energy: -582.494131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.494131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.494131 (E_RNA) where: Base-Base interactions energy: -306.185 where: short stacking energy: -172.908 Base-Backbone interact. energy: -1.176 local terms energy: -275.134117 where: bonds (distance) C4'-P energy: -72.354 bonds (distance) P-C4' energy: -83.025 flat angles C4'-P-C4' energy: -62.527 flat angles P-C4'-P energy: -37.582 tors. eta vs tors. theta energy: -19.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -461.208279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.208279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.208279 (E_RNA) where: Base-Base interactions energy: -215.090 where: short stacking energy: -174.137 Base-Backbone interact. energy: -1.038 local terms energy: -245.080540 where: bonds (distance) C4'-P energy: -65.948 bonds (distance) P-C4' energy: -73.267 flat angles C4'-P-C4' energy: -66.303 flat angles P-C4'-P energy: -27.150 tors. eta vs tors. theta energy: -12.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -369.779748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.779748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.779748 (E_RNA) where: Base-Base interactions energy: -148.605 where: short stacking energy: -123.986 Base-Backbone interact. energy: 1.120 local terms energy: -222.294867 where: bonds (distance) C4'-P energy: -62.671 bonds (distance) P-C4' energy: -74.043 flat angles C4'-P-C4' energy: -59.984 flat angles P-C4'-P energy: -37.181 tors. eta vs tors. theta energy: 11.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1406.811097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.811097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.811097 (E_RNA) where: Base-Base interactions energy: -910.612 where: short stacking energy: -424.504 Base-Backbone interact. energy: -3.814 local terms energy: -492.384909 where: bonds (distance) C4'-P energy: -94.607 bonds (distance) P-C4' energy: -97.953 flat angles C4'-P-C4' energy: -100.439 flat angles P-C4'-P energy: -71.048 tors. eta vs tors. theta energy: -128.339 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: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1354.374019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.374019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.374019 (E_RNA) where: Base-Base interactions energy: -884.310 where: short stacking energy: -431.093 Base-Backbone interact. energy: 1.082 local terms energy: -471.145174 where: bonds (distance) C4'-P energy: -88.734 bonds (distance) P-C4' energy: -97.552 flat angles C4'-P-C4' energy: -104.115 flat angles P-C4'-P energy: -60.920 tors. eta vs tors. theta energy: -119.824 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: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1319.420460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.420460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.420460 (E_RNA) where: Base-Base interactions energy: -890.482 where: short stacking energy: -400.876 Base-Backbone interact. energy: -1.140 local terms energy: -427.799264 where: bonds (distance) C4'-P energy: -95.599 bonds (distance) P-C4' energy: -88.318 flat angles C4'-P-C4' energy: -98.782 flat angles P-C4'-P energy: -49.907 tors. eta vs tors. theta energy: -95.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1132.793265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.793265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.793265 (E_RNA) where: Base-Base interactions energy: -699.025 where: short stacking energy: -355.886 Base-Backbone interact. energy: 1.453 local terms energy: -435.221308 where: bonds (distance) C4'-P energy: -93.015 bonds (distance) P-C4' energy: -83.454 flat angles C4'-P-C4' energy: -99.449 flat angles P-C4'-P energy: -69.690 tors. eta vs tors. theta energy: -89.612 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: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -973.558340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.558340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.558340 (E_RNA) where: Base-Base interactions energy: -572.797 where: short stacking energy: -256.923 Base-Backbone interact. energy: -0.612 local terms energy: -400.149729 where: bonds (distance) C4'-P energy: -89.681 bonds (distance) P-C4' energy: -88.214 flat angles C4'-P-C4' energy: -103.853 flat angles P-C4'-P energy: -62.333 tors. eta vs tors. theta energy: -56.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -851.268514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.268514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.268514 (E_RNA) where: Base-Base interactions energy: -488.345 where: short stacking energy: -250.895 Base-Backbone interact. energy: -0.205 local terms energy: -362.718428 where: bonds (distance) C4'-P energy: -79.648 bonds (distance) P-C4' energy: -77.656 flat angles C4'-P-C4' energy: -100.184 flat angles P-C4'-P energy: -49.612 tors. eta vs tors. theta energy: -55.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -678.155711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.155711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.155711 (E_RNA) where: Base-Base interactions energy: -344.083 where: short stacking energy: -200.540 Base-Backbone interact. energy: -0.696 local terms energy: -333.376278 where: bonds (distance) C4'-P energy: -74.043 bonds (distance) P-C4' energy: -95.088 flat angles C4'-P-C4' energy: -85.280 flat angles P-C4'-P energy: -52.283 tors. eta vs tors. theta energy: -26.682 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: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -666.519476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.519476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.519476 (E_RNA) where: Base-Base interactions energy: -357.837 where: short stacking energy: -210.933 Base-Backbone interact. energy: 4.806 local terms energy: -313.489153 where: bonds (distance) C4'-P energy: -73.461 bonds (distance) P-C4' energy: -81.411 flat angles C4'-P-C4' energy: -77.309 flat angles P-C4'-P energy: -40.204 tors. eta vs tors. theta energy: -41.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -438.100388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.100388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.100388 (E_RNA) where: Base-Base interactions energy: -186.983 where: short stacking energy: -137.359 Base-Backbone interact. energy: 2.315 local terms energy: -253.432407 where: bonds (distance) C4'-P energy: -74.015 bonds (distance) P-C4' energy: -82.509 flat angles C4'-P-C4' energy: -71.885 flat angles P-C4'-P energy: -39.306 tors. eta vs tors. theta energy: 14.282 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: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -395.796354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.796354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.796354 (E_RNA) where: Base-Base interactions energy: -146.301 where: short stacking energy: -105.573 Base-Backbone interact. energy: 0.418 local terms energy: -249.913856 where: bonds (distance) C4'-P energy: -80.593 bonds (distance) P-C4' energy: -70.323 flat angles C4'-P-C4' energy: -69.179 flat angles P-C4'-P energy: -44.551 tors. eta vs tors. theta energy: 14.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1456.882444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.882444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.882444 (E_RNA) where: Base-Base interactions energy: -975.190 where: short stacking energy: -437.287 Base-Backbone interact. energy: -1.185 local terms energy: -480.507185 where: bonds (distance) C4'-P energy: -87.637 bonds (distance) P-C4' energy: -97.395 flat angles C4'-P-C4' energy: -110.447 flat angles P-C4'-P energy: -64.546 tors. eta vs tors. theta energy: -120.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1339.783700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.783700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.783700 (E_RNA) where: Base-Base interactions energy: -881.070 where: short stacking energy: -381.470 Base-Backbone interact. energy: 1.844 local terms energy: -460.557427 where: bonds (distance) C4'-P energy: -102.967 bonds (distance) P-C4' energy: -97.921 flat angles C4'-P-C4' energy: -101.526 flat angles P-C4'-P energy: -62.972 tors. eta vs tors. theta energy: -95.171 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: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1263.607802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.607802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.607802 (E_RNA) where: Base-Base interactions energy: -818.652 where: short stacking energy: -369.716 Base-Backbone interact. energy: 1.065 local terms energy: -446.020941 where: bonds (distance) C4'-P energy: -97.785 bonds (distance) P-C4' energy: -81.563 flat angles C4'-P-C4' energy: -95.984 flat angles P-C4'-P energy: -74.061 tors. eta vs tors. theta energy: -96.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1122.864921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.864921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.864921 (E_RNA) where: Base-Base interactions energy: -709.479 where: short stacking energy: -362.854 Base-Backbone interact. energy: 1.031 local terms energy: -414.416811 where: bonds (distance) C4'-P energy: -92.576 bonds (distance) P-C4' energy: -86.353 flat angles C4'-P-C4' energy: -82.362 flat angles P-C4'-P energy: -62.019 tors. eta vs tors. theta energy: -91.107 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: 59 Temperature: 1.100000 Total energy: -985.168469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.168469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.168469 (E_RNA) where: Base-Base interactions energy: -608.234 where: short stacking energy: -291.645 Base-Backbone interact. energy: 0.376 local terms energy: -377.309987 where: bonds (distance) C4'-P energy: -97.114 bonds (distance) P-C4' energy: -83.675 flat angles C4'-P-C4' energy: -86.030 flat angles P-C4'-P energy: -45.623 tors. eta vs tors. theta energy: -64.867 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: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -887.070328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.070328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.070328 (E_RNA) where: Base-Base interactions energy: -534.658 where: short stacking energy: -230.753 Base-Backbone interact. energy: -2.910 local terms energy: -349.502083 where: bonds (distance) C4'-P energy: -74.750 bonds (distance) P-C4' energy: -89.718 flat angles C4'-P-C4' energy: -85.049 flat angles P-C4'-P energy: -54.612 tors. eta vs tors. theta energy: -45.373 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: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -644.441859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.441859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.441859 (E_RNA) where: Base-Base interactions energy: -340.070 where: short stacking energy: -216.173 Base-Backbone interact. energy: 3.829 local terms energy: -308.200927 where: bonds (distance) C4'-P energy: -70.438 bonds (distance) P-C4' energy: -80.292 flat angles C4'-P-C4' energy: -80.052 flat angles P-C4'-P energy: -59.339 tors. eta vs tors. theta energy: -18.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -674.163504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.163504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.163504 (E_RNA) where: Base-Base interactions energy: -370.427 where: short stacking energy: -185.376 Base-Backbone interact. energy: -3.065 local terms energy: -300.672114 where: bonds (distance) C4'-P energy: -88.205 bonds (distance) P-C4' energy: -91.873 flat angles C4'-P-C4' energy: -63.184 flat angles P-C4'-P energy: -36.059 tors. eta vs tors. theta energy: -21.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -457.660065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.660065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.660065 (E_RNA) where: Base-Base interactions energy: -181.527 where: short stacking energy: -139.291 Base-Backbone interact. energy: -0.954 local terms energy: -275.178718 where: bonds (distance) C4'-P energy: -69.180 bonds (distance) P-C4' energy: -96.667 flat angles C4'-P-C4' energy: -71.821 flat angles P-C4'-P energy: -39.012 tors. eta vs tors. theta energy: 1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -406.591777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.591777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.591777 (E_RNA) where: Base-Base interactions energy: -172.579 where: short stacking energy: -121.127 Base-Backbone interact. energy: -2.445 local terms energy: -231.567460 where: bonds (distance) C4'-P energy: -63.018 bonds (distance) P-C4' energy: -64.192 flat angles C4'-P-C4' energy: -74.533 flat angles P-C4'-P energy: -41.867 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: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1462.050582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.050582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.050582 (E_RNA) where: Base-Base interactions energy: -960.719 where: short stacking energy: -426.574 Base-Backbone interact. energy: -1.239 local terms energy: -500.092594 where: bonds (distance) C4'-P energy: -102.594 bonds (distance) P-C4' energy: -90.528 flat angles C4'-P-C4' energy: -104.906 flat angles P-C4'-P energy: -73.437 tors. eta vs tors. theta energy: -128.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1381.704282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.704282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.704282 (E_RNA) where: Base-Base interactions energy: -907.932 where: short stacking energy: -416.297 Base-Backbone interact. energy: 0.515 local terms energy: -474.287102 where: bonds (distance) C4'-P energy: -100.368 bonds (distance) P-C4' energy: -84.124 flat angles C4'-P-C4' energy: -103.529 flat angles P-C4'-P energy: -61.945 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: 3, replica: 2 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1269.650629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.650629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.650629 (E_RNA) where: Base-Base interactions energy: -828.048 where: short stacking energy: -405.420 Base-Backbone interact. energy: -2.526 local terms energy: -439.075928 where: bonds (distance) C4'-P energy: -73.422 bonds (distance) P-C4' energy: -100.058 flat angles C4'-P-C4' energy: -94.108 flat angles P-C4'-P energy: -58.509 tors. eta vs tors. theta energy: -112.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1132.882143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.882143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.882143 (E_RNA) where: Base-Base interactions energy: -697.105 where: short stacking energy: -335.680 Base-Backbone interact. energy: 2.495 local terms energy: -438.271713 where: bonds (distance) C4'-P energy: -83.133 bonds (distance) P-C4' energy: -93.897 flat angles C4'-P-C4' energy: -97.099 flat angles P-C4'-P energy: -62.737 tors. eta vs tors. theta energy: -101.405 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: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -989.922867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.922867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.922867 (E_RNA) where: Base-Base interactions energy: -612.816 where: short stacking energy: -282.610 Base-Backbone interact. energy: -0.524 local terms energy: -376.583490 where: bonds (distance) C4'-P energy: -89.773 bonds (distance) P-C4' energy: -89.757 flat angles C4'-P-C4' energy: -78.513 flat angles P-C4'-P energy: -46.048 tors. eta vs tors. theta energy: -72.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -883.928555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.928555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.928555 (E_RNA) where: Base-Base interactions energy: -512.826 where: short stacking energy: -264.061 Base-Backbone interact. energy: -0.552 local terms energy: -370.550638 where: bonds (distance) C4'-P energy: -85.860 bonds (distance) P-C4' energy: -80.387 flat angles C4'-P-C4' energy: -92.659 flat angles P-C4'-P energy: -49.693 tors. eta vs tors. theta energy: -61.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -677.343282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.343282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.343282 (E_RNA) where: Base-Base interactions energy: -345.010 where: short stacking energy: -195.751 Base-Backbone interact. energy: -2.206 local terms energy: -330.126585 where: bonds (distance) C4'-P energy: -85.804 bonds (distance) P-C4' energy: -64.886 flat angles C4'-P-C4' energy: -87.843 flat angles P-C4'-P energy: -59.726 tors. eta vs tors. theta energy: -31.867 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: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -645.850195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.850195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.850195 (E_RNA) where: Base-Base interactions energy: -362.780 where: short stacking energy: -228.551 Base-Backbone interact. energy: 1.260 local terms energy: -284.330154 where: bonds (distance) C4'-P energy: -67.924 bonds (distance) P-C4' energy: -80.170 flat angles C4'-P-C4' energy: -79.392 flat angles P-C4'-P energy: -41.638 tors. eta vs tors. theta energy: -15.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -503.223927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.223927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.223927 (E_RNA) where: Base-Base interactions energy: -229.513 where: short stacking energy: -145.015 Base-Backbone interact. energy: 0.077 local terms energy: -273.787774 where: bonds (distance) C4'-P energy: -74.123 bonds (distance) P-C4' energy: -86.159 flat angles C4'-P-C4' energy: -72.655 flat angles P-C4'-P energy: -36.340 tors. eta vs tors. theta energy: -4.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -364.319690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.319690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.319690 (E_RNA) where: Base-Base interactions energy: -127.673 where: short stacking energy: -97.493 Base-Backbone interact. energy: -3.344 local terms energy: -233.302853 where: bonds (distance) C4'-P energy: -76.941 bonds (distance) P-C4' energy: -80.335 flat angles C4'-P-C4' energy: -58.930 flat angles P-C4'-P energy: -37.943 tors. eta vs tors. theta energy: 20.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1460.926248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.926248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.926248 (E_RNA) where: Base-Base interactions energy: -963.569 where: short stacking energy: -453.868 Base-Backbone interact. energy: -1.179 local terms energy: -496.177520 where: bonds (distance) C4'-P energy: -85.542 bonds (distance) P-C4' energy: -91.297 flat angles C4'-P-C4' energy: -114.929 flat angles P-C4'-P energy: -77.455 tors. eta vs tors. theta energy: -126.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1350.912503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.912503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.912503 (E_RNA) where: Base-Base interactions energy: -894.580 where: short stacking energy: -423.628 Base-Backbone interact. energy: -1.561 local terms energy: -454.771498 where: bonds (distance) C4'-P energy: -89.713 bonds (distance) P-C4' energy: -82.336 flat angles C4'-P-C4' energy: -111.687 flat angles P-C4'-P energy: -59.362 tors. eta vs tors. theta energy: -111.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1285.092623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.092623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.092623 (E_RNA) where: Base-Base interactions energy: -817.158 where: short stacking energy: -414.123 Base-Backbone interact. energy: 0.961 local terms energy: -468.895547 where: bonds (distance) C4'-P energy: -87.407 bonds (distance) P-C4' energy: -90.275 flat angles C4'-P-C4' energy: -100.551 flat angles P-C4'-P energy: -72.493 tors. eta vs tors. theta energy: -118.170 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: 4, replica: 10 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1142.090925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.090925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.090925 (E_RNA) where: Base-Base interactions energy: -702.964 where: short stacking energy: -356.160 Base-Backbone interact. energy: -0.473 local terms energy: -438.653597 where: bonds (distance) C4'-P energy: -83.711 bonds (distance) P-C4' energy: -96.546 flat angles C4'-P-C4' energy: -94.446 flat angles P-C4'-P energy: -67.305 tors. eta vs tors. theta energy: -96.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -964.460646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.460646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.460646 (E_RNA) where: Base-Base interactions energy: -575.465 where: short stacking energy: -279.867 Base-Backbone interact. energy: -0.498 local terms energy: -388.497705 where: bonds (distance) C4'-P energy: -88.842 bonds (distance) P-C4' energy: -90.213 flat angles C4'-P-C4' energy: -89.313 flat angles P-C4'-P energy: -54.249 tors. eta vs tors. theta energy: -65.881 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: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -892.417714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.417714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.417714 (E_RNA) where: Base-Base interactions energy: -544.039 where: short stacking energy: -255.342 Base-Backbone interact. energy: 0.576 local terms energy: -348.954028 where: bonds (distance) C4'-P energy: -71.918 bonds (distance) P-C4' energy: -87.437 flat angles C4'-P-C4' energy: -85.339 flat angles P-C4'-P energy: -56.594 tors. eta vs tors. theta energy: -47.665 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: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -646.064224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.064224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.064224 (E_RNA) where: Base-Base interactions energy: -299.090 where: short stacking energy: -173.154 Base-Backbone interact. energy: -1.680 local terms energy: -345.294864 where: bonds (distance) C4'-P energy: -86.090 bonds (distance) P-C4' energy: -97.472 flat angles C4'-P-C4' energy: -85.742 flat angles P-C4'-P energy: -56.840 tors. eta vs tors. theta energy: -19.152 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: 8, replica: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -476.080383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.080383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.080383 (E_RNA) where: Base-Base interactions energy: -186.170 where: short stacking energy: -122.265 Base-Backbone interact. energy: 1.293 local terms energy: -291.203292 where: bonds (distance) C4'-P energy: -80.424 bonds (distance) P-C4' energy: -79.620 flat angles C4'-P-C4' energy: -76.463 flat angles P-C4'-P energy: -51.285 tors. eta vs tors. theta energy: -3.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -566.283046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.283046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.283046 (E_RNA) where: Base-Base interactions energy: -263.593 where: short stacking energy: -146.051 Base-Backbone interact. energy: -2.885 local terms energy: -299.805018 where: bonds (distance) C4'-P energy: -86.848 bonds (distance) P-C4' energy: -78.722 flat angles C4'-P-C4' energy: -83.174 flat angles P-C4'-P energy: -39.796 tors. eta vs tors. theta energy: -11.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -375.842719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.842719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.842719 (E_RNA) where: Base-Base interactions energy: -117.325 where: short stacking energy: -104.768 Base-Backbone interact. energy: 0.290 local terms energy: -258.806820 where: bonds (distance) C4'-P energy: -82.341 bonds (distance) P-C4' energy: -74.614 flat angles C4'-P-C4' energy: -78.939 flat angles P-C4'-P energy: -54.316 tors. eta vs tors. theta energy: 31.403 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: 1, replica: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1447.783077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.783077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.783077 (E_RNA) where: Base-Base interactions energy: -961.654 where: short stacking energy: -440.721 Base-Backbone interact. energy: -2.352 local terms energy: -483.777146 where: bonds (distance) C4'-P energy: -83.773 bonds (distance) P-C4' energy: -100.317 flat angles C4'-P-C4' energy: -110.701 flat angles P-C4'-P energy: -63.803 tors. eta vs tors. theta energy: -125.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1382.155778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.155778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.155778 (E_RNA) where: Base-Base interactions energy: -877.764 where: short stacking energy: -401.210 Base-Backbone interact. energy: -1.301 local terms energy: -503.089971 where: bonds (distance) C4'-P energy: -97.622 bonds (distance) P-C4' energy: -100.674 flat angles C4'-P-C4' energy: -105.663 flat angles P-C4'-P energy: -80.417 tors. eta vs tors. theta energy: -118.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1276.215069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.215069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.215069 (E_RNA) where: Base-Base interactions energy: -815.569 where: short stacking energy: -396.649 Base-Backbone interact. energy: -3.317 local terms energy: -457.328899 where: bonds (distance) C4'-P energy: -93.619 bonds (distance) P-C4' energy: -91.632 flat angles C4'-P-C4' energy: -104.222 flat angles P-C4'-P energy: -58.760 tors. eta vs tors. theta energy: -109.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1179.101806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.101806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.101806 (E_RNA) where: Base-Base interactions energy: -734.955 where: short stacking energy: -377.436 Base-Backbone interact. energy: -0.651 local terms energy: -443.496070 where: bonds (distance) C4'-P energy: -84.735 bonds (distance) P-C4' energy: -84.959 flat angles C4'-P-C4' energy: -99.230 flat angles P-C4'-P energy: -73.513 tors. eta vs tors. theta energy: -101.059 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: 3 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -968.122919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.122919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.122919 (E_RNA) where: Base-Base interactions energy: -597.408 where: short stacking energy: -306.824 Base-Backbone interact. energy: -1.391 local terms energy: -369.324416 where: bonds (distance) C4'-P energy: -79.269 bonds (distance) P-C4' energy: -95.615 flat angles C4'-P-C4' energy: -77.575 flat angles P-C4'-P energy: -60.226 tors. eta vs tors. theta energy: -56.640 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: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -880.845591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.845591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.845591 (E_RNA) where: Base-Base interactions energy: -530.685 where: short stacking energy: -267.483 Base-Backbone interact. energy: -3.962 local terms energy: -346.198524 where: bonds (distance) C4'-P energy: -83.458 bonds (distance) P-C4' energy: -84.416 flat angles C4'-P-C4' energy: -88.976 flat angles P-C4'-P energy: -41.969 tors. eta vs tors. theta energy: -47.379 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: 62 Temperature: 1.200000 Total energy: -634.555350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.555350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.555350 (E_RNA) where: Base-Base interactions energy: -314.017 where: short stacking energy: -192.445 Base-Backbone interact. energy: 1.625 local terms energy: -322.163371 where: bonds (distance) C4'-P energy: -85.226 bonds (distance) P-C4' energy: -80.509 flat angles C4'-P-C4' energy: -79.898 flat angles P-C4'-P energy: -53.423 tors. eta vs tors. theta energy: -23.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -495.750210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.750210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.750210 (E_RNA) where: Base-Base interactions energy: -199.357 where: short stacking energy: -150.374 Base-Backbone interact. energy: -0.947 local terms energy: -295.446721 where: bonds (distance) C4'-P energy: -90.056 bonds (distance) P-C4' energy: -76.478 flat angles C4'-P-C4' energy: -70.574 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: -11.408 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: 9, replica: 1 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -547.526940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.526940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.526940 (E_RNA) where: Base-Base interactions energy: -294.151 where: short stacking energy: -152.659 Base-Backbone interact. energy: -0.618 local terms energy: -252.757915 where: bonds (distance) C4'-P energy: -69.055 bonds (distance) P-C4' energy: -75.062 flat angles C4'-P-C4' energy: -75.650 flat angles P-C4'-P energy: -31.835 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -385.498708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.498708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.498708 (E_RNA) where: Base-Base interactions energy: -136.733 where: short stacking energy: -91.997 Base-Backbone interact. energy: 1.174 local terms energy: -249.939603 where: bonds (distance) C4'-P energy: -69.000 bonds (distance) P-C4' energy: -98.178 flat angles C4'-P-C4' energy: -60.314 flat angles P-C4'-P energy: -29.703 tors. eta vs tors. theta energy: 7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1453.192802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.192802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.192802 (E_RNA) where: Base-Base interactions energy: -971.728 where: short stacking energy: -426.859 Base-Backbone interact. energy: -1.014 local terms energy: -480.451576 where: bonds (distance) C4'-P energy: -92.447 bonds (distance) P-C4' energy: -90.942 flat angles C4'-P-C4' energy: -112.874 flat angles P-C4'-P energy: -66.061 tors. eta vs tors. theta energy: -118.127 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: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1372.872939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.872939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.872939 (E_RNA) where: Base-Base interactions energy: -889.524 where: short stacking energy: -408.152 Base-Backbone interact. energy: -2.912 local terms energy: -480.436904 where: bonds (distance) C4'-P energy: -88.259 bonds (distance) P-C4' energy: -99.370 flat angles C4'-P-C4' energy: -108.117 flat angles P-C4'-P energy: -65.919 tors. eta vs tors. theta energy: -118.772 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: 3, replica: 2 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1259.845757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.845757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.845757 (E_RNA) where: Base-Base interactions energy: -813.002 where: short stacking energy: -372.448 Base-Backbone interact. energy: -3.033 local terms energy: -443.810125 where: bonds (distance) C4'-P energy: -86.069 bonds (distance) P-C4' energy: -89.887 flat angles C4'-P-C4' energy: -94.493 flat angles P-C4'-P energy: -55.971 tors. eta vs tors. theta energy: -117.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1141.499939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.499939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.499939 (E_RNA) where: Base-Base interactions energy: -702.915 where: short stacking energy: -339.342 Base-Backbone interact. energy: -0.720 local terms energy: -437.864792 where: bonds (distance) C4'-P energy: -81.130 bonds (distance) P-C4' energy: -97.353 flat angles C4'-P-C4' energy: -99.275 flat angles P-C4'-P energy: -59.750 tors. eta vs tors. theta energy: -100.357 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: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -963.654153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.654153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.654153 (E_RNA) where: Base-Base interactions energy: -572.988 where: short stacking energy: -276.194 Base-Backbone interact. energy: -1.506 local terms energy: -389.159738 where: bonds (distance) C4'-P energy: -96.631 bonds (distance) P-C4' energy: -97.191 flat angles C4'-P-C4' energy: -87.902 flat angles P-C4'-P energy: -49.789 tors. eta vs tors. theta energy: -57.646 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: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -900.599991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.599991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.599991 (E_RNA) where: Base-Base interactions energy: -541.376 where: short stacking energy: -272.769 Base-Backbone interact. energy: 0.236 local terms energy: -359.460545 where: bonds (distance) C4'-P energy: -84.216 bonds (distance) P-C4' energy: -78.527 flat angles C4'-P-C4' energy: -85.026 flat angles P-C4'-P energy: -63.470 tors. eta vs tors. theta energy: -48.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -671.356549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.356549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.356549 (E_RNA) where: Base-Base interactions energy: -353.421 where: short stacking energy: -213.680 Base-Backbone interact. energy: -1.701 local terms energy: -316.234188 where: bonds (distance) C4'-P energy: -77.728 bonds (distance) P-C4' energy: -82.935 flat angles C4'-P-C4' energy: -82.458 flat angles P-C4'-P energy: -47.770 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: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -495.075244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.075244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.075244 (E_RNA) where: Base-Base interactions energy: -200.543 where: short stacking energy: -144.886 Base-Backbone interact. energy: -0.575 local terms energy: -293.957961 where: bonds (distance) C4'-P energy: -76.166 bonds (distance) P-C4' energy: -81.174 flat angles C4'-P-C4' energy: -70.325 flat angles P-C4'-P energy: -52.421 tors. eta vs tors. theta energy: -13.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -577.405778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.405778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.405778 (E_RNA) where: Base-Base interactions energy: -286.909 where: short stacking energy: -161.997 Base-Backbone interact. energy: 6.163 local terms energy: -296.659603 where: bonds (distance) C4'-P energy: -81.619 bonds (distance) P-C4' energy: -92.268 flat angles C4'-P-C4' energy: -62.214 flat angles P-C4'-P energy: -52.015 tors. eta vs tors. theta energy: -8.543 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: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -400.818330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.818330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.818330 (E_RNA) where: Base-Base interactions energy: -148.211 where: short stacking energy: -113.290 Base-Backbone interact. energy: -0.562 local terms energy: -252.045619 where: bonds (distance) C4'-P energy: -68.345 bonds (distance) P-C4' energy: -72.868 flat angles C4'-P-C4' energy: -71.255 flat angles P-C4'-P energy: -52.937 tors. eta vs tors. theta energy: 13.360 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: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1457.105978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.105978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.105978 (E_RNA) where: Base-Base interactions energy: -994.869 where: short stacking energy: -430.406 Base-Backbone interact. energy: -3.616 local terms energy: -458.621430 where: bonds (distance) C4'-P energy: -90.158 bonds (distance) P-C4' energy: -96.720 flat angles C4'-P-C4' energy: -101.138 flat angles P-C4'-P energy: -60.222 tors. eta vs tors. theta energy: -110.383 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: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1379.550356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.550356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.550356 (E_RNA) where: Base-Base interactions energy: -892.924 where: short stacking energy: -418.821 Base-Backbone interact. energy: -0.620 local terms energy: -486.005905 where: bonds (distance) C4'-P energy: -109.963 bonds (distance) P-C4' energy: -88.052 flat angles C4'-P-C4' energy: -103.409 flat angles P-C4'-P energy: -59.947 tors. eta vs tors. theta energy: -124.634 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: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1242.027585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.027585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.027585 (E_RNA) where: Base-Base interactions energy: -803.003 where: short stacking energy: -387.972 Base-Backbone interact. energy: 2.907 local terms energy: -441.931950 where: bonds (distance) C4'-P energy: -77.175 bonds (distance) P-C4' energy: -89.370 flat angles C4'-P-C4' energy: -99.970 flat angles P-C4'-P energy: -69.321 tors. eta vs tors. theta energy: -106.095 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: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1122.190380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.190380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.190380 (E_RNA) where: Base-Base interactions energy: -720.229 where: short stacking energy: -332.068 Base-Backbone interact. energy: -0.171 local terms energy: -401.790228 where: bonds (distance) C4'-P energy: -77.175 bonds (distance) P-C4' energy: -83.650 flat angles C4'-P-C4' energy: -103.800 flat angles P-C4'-P energy: -52.841 tors. eta vs tors. theta energy: -84.324 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: 64 Temperature: 1.100000 Total energy: -1026.830724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.830724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.830724 (E_RNA) where: Base-Base interactions energy: -636.029 where: short stacking energy: -317.102 Base-Backbone interact. energy: -0.932 local terms energy: -389.870364 where: bonds (distance) C4'-P energy: -77.893 bonds (distance) P-C4' energy: -92.194 flat angles C4'-P-C4' energy: -83.459 flat angles P-C4'-P energy: -57.442 tors. eta vs tors. theta energy: -78.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -918.887019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.887019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.887019 (E_RNA) where: Base-Base interactions energy: -567.645 where: short stacking energy: -284.678 Base-Backbone interact. energy: 0.627 local terms energy: -351.869168 where: bonds (distance) C4'-P energy: -73.011 bonds (distance) P-C4' energy: -72.935 flat angles C4'-P-C4' energy: -89.699 flat angles P-C4'-P energy: -56.746 tors. eta vs tors. theta energy: -59.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -634.472547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.472547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.472547 (E_RNA) where: Base-Base interactions energy: -320.835 where: short stacking energy: -190.739 Base-Backbone interact. energy: 0.174 local terms energy: -313.811633 where: bonds (distance) C4'-P energy: -82.595 bonds (distance) P-C4' energy: -95.816 flat angles C4'-P-C4' energy: -73.714 flat angles P-C4'-P energy: -43.733 tors. eta vs tors. theta energy: -17.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -550.393121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.393121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.393121 (E_RNA) where: Base-Base interactions energy: -245.368 where: short stacking energy: -130.797 Base-Backbone interact. energy: -1.579 local terms energy: -303.446027 where: bonds (distance) C4'-P energy: -73.303 bonds (distance) P-C4' energy: -92.278 flat angles C4'-P-C4' energy: -73.999 flat angles P-C4'-P energy: -56.585 tors. eta vs tors. theta energy: -7.281 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: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -547.827433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.827433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.827433 (E_RNA) where: Base-Base interactions energy: -296.030 where: short stacking energy: -173.146 Base-Backbone interact. energy: 0.171 local terms energy: -251.968268 where: bonds (distance) C4'-P energy: -77.854 bonds (distance) P-C4' energy: -74.423 flat angles C4'-P-C4' energy: -53.081 flat angles P-C4'-P energy: -39.118 tors. eta vs tors. theta energy: -7.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -362.150972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.150972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.150972 (E_RNA) where: Base-Base interactions energy: -118.941 where: short stacking energy: -105.395 Base-Backbone interact. energy: -2.345 local terms energy: -240.864719 where: bonds (distance) C4'-P energy: -77.822 bonds (distance) P-C4' energy: -84.769 flat angles C4'-P-C4' energy: -62.299 flat angles P-C4'-P energy: -37.562 tors. eta vs tors. theta energy: 21.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1459.521996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.521996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.521996 (E_RNA) where: Base-Base interactions energy: -946.868 where: short stacking energy: -455.828 Base-Backbone interact. energy: -2.336 local terms energy: -510.318848 where: bonds (distance) C4'-P energy: -88.474 bonds (distance) P-C4' energy: -111.934 flat angles C4'-P-C4' energy: -114.392 flat angles P-C4'-P energy: -62.903 tors. eta vs tors. theta energy: -132.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1376.403748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.403748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.403748 (E_RNA) where: Base-Base interactions energy: -903.682 where: short stacking energy: -426.535 Base-Backbone interact. energy: -1.133 local terms energy: -471.588796 where: bonds (distance) C4'-P energy: -72.471 bonds (distance) P-C4' energy: -102.586 flat angles C4'-P-C4' energy: -108.249 flat angles P-C4'-P energy: -63.261 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: 3, replica: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1186.635818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.635818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.635818 (E_RNA) where: Base-Base interactions energy: -752.121 where: short stacking energy: -373.491 Base-Backbone interact. energy: -1.345 local terms energy: -433.170031 where: bonds (distance) C4'-P energy: -98.647 bonds (distance) P-C4' energy: -92.591 flat angles C4'-P-C4' energy: -94.731 flat angles P-C4'-P energy: -63.172 tors. eta vs tors. theta energy: -84.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1145.967342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.967342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.967342 (E_RNA) where: Base-Base interactions energy: -722.537 where: short stacking energy: -353.285 Base-Backbone interact. energy: -2.536 local terms energy: -420.893588 where: bonds (distance) C4'-P energy: -94.309 bonds (distance) P-C4' energy: -81.894 flat angles C4'-P-C4' energy: -92.668 flat angles P-C4'-P energy: -53.961 tors. eta vs tors. theta energy: -98.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1036.941916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.941916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.941916 (E_RNA) where: Base-Base interactions energy: -670.192 where: short stacking energy: -331.218 Base-Backbone interact. energy: 1.321 local terms energy: -368.071337 where: bonds (distance) C4'-P energy: -72.793 bonds (distance) P-C4' energy: -82.362 flat angles C4'-P-C4' energy: -97.723 flat angles P-C4'-P energy: -46.231 tors. eta vs tors. theta energy: -68.961 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: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -866.849354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.849354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.849354 (E_RNA) where: Base-Base interactions energy: -494.246 where: short stacking energy: -244.433 Base-Backbone interact. energy: 3.379 local terms energy: -375.982132 where: bonds (distance) C4'-P energy: -97.784 bonds (distance) P-C4' energy: -93.953 flat angles C4'-P-C4' energy: -85.164 flat angles P-C4'-P energy: -58.509 tors. eta vs tors. theta energy: -40.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -649.365711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.365711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.365711 (E_RNA) where: Base-Base interactions energy: -337.907 where: short stacking energy: -200.437 Base-Backbone interact. energy: -0.814 local terms energy: -310.644454 where: bonds (distance) C4'-P energy: -80.050 bonds (distance) P-C4' energy: -90.302 flat angles C4'-P-C4' energy: -83.562 flat angles P-C4'-P energy: -35.229 tors. eta vs tors. theta energy: -21.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -596.045861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.045861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.045861 (E_RNA) where: Base-Base interactions energy: -295.620 where: short stacking energy: -187.112 Base-Backbone interact. energy: 0.440 local terms energy: -300.865307 where: bonds (distance) C4'-P energy: -76.965 bonds (distance) P-C4' energy: -86.963 flat angles C4'-P-C4' energy: -75.207 flat angles P-C4'-P energy: -48.063 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -523.144168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.144168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.144168 (E_RNA) where: Base-Base interactions energy: -252.259 where: short stacking energy: -158.176 Base-Backbone interact. energy: 2.581 local terms energy: -273.465641 where: bonds (distance) C4'-P energy: -77.470 bonds (distance) P-C4' energy: -72.661 flat angles C4'-P-C4' energy: -63.722 flat angles P-C4'-P energy: -56.668 tors. eta vs tors. theta energy: -2.945 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: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -380.948466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.948466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.948466 (E_RNA) where: Base-Base interactions energy: -142.916 where: short stacking energy: -116.039 Base-Backbone interact. energy: -2.633 local terms energy: -235.399729 where: bonds (distance) C4'-P energy: -60.066 bonds (distance) P-C4' energy: -71.759 flat angles C4'-P-C4' energy: -65.446 flat angles P-C4'-P energy: -52.673 tors. eta vs tors. theta energy: 14.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1486.334695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.334695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.334695 (E_RNA) where: Base-Base interactions energy: -993.492 where: short stacking energy: -456.137 Base-Backbone interact. energy: -5.347 local terms energy: -487.495536 where: bonds (distance) C4'-P energy: -91.332 bonds (distance) P-C4' energy: -88.866 flat angles C4'-P-C4' energy: -106.216 flat angles P-C4'-P energy: -70.748 tors. eta vs tors. theta energy: -130.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1396.367025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.367025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.367025 (E_RNA) where: Base-Base interactions energy: -907.475 where: short stacking energy: -456.155 Base-Backbone interact. energy: -5.036 local terms energy: -483.856298 where: bonds (distance) C4'-P energy: -92.321 bonds (distance) P-C4' energy: -96.267 flat angles C4'-P-C4' energy: -94.922 flat angles P-C4'-P energy: -67.860 tors. eta vs tors. theta energy: -132.487 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: 2 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1184.148935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.148935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.148935 (E_RNA) where: Base-Base interactions energy: -759.623 where: short stacking energy: -360.536 Base-Backbone interact. energy: -3.371 local terms energy: -421.154680 where: bonds (distance) C4'-P energy: -92.395 bonds (distance) P-C4' energy: -94.550 flat angles C4'-P-C4' energy: -97.852 flat angles P-C4'-P energy: -49.764 tors. eta vs tors. theta energy: -86.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1178.825860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.825860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.825860 (E_RNA) where: Base-Base interactions energy: -732.720 where: short stacking energy: -375.496 Base-Backbone interact. energy: -0.551 local terms energy: -445.555011 where: bonds (distance) C4'-P energy: -86.426 bonds (distance) P-C4' energy: -97.257 flat angles C4'-P-C4' energy: -99.704 flat angles P-C4'-P energy: -57.196 tors. eta vs tors. theta energy: -104.972 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: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1018.031788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.031788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.031788 (E_RNA) where: Base-Base interactions energy: -631.576 where: short stacking energy: -291.641 Base-Backbone interact. energy: -0.441 local terms energy: -386.014766 where: bonds (distance) C4'-P energy: -96.283 bonds (distance) P-C4' energy: -94.770 flat angles C4'-P-C4' energy: -81.579 flat angles P-C4'-P energy: -47.762 tors. eta vs tors. theta energy: -65.620 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: 3 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -883.696591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.696591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.696591 (E_RNA) where: Base-Base interactions energy: -517.995 where: short stacking energy: -230.554 Base-Backbone interact. energy: 2.658 local terms energy: -368.359649 where: bonds (distance) C4'-P energy: -85.692 bonds (distance) P-C4' energy: -92.498 flat angles C4'-P-C4' energy: -79.108 flat angles P-C4'-P energy: -54.661 tors. eta vs tors. theta energy: -56.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -661.497309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.497309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.497309 (E_RNA) where: Base-Base interactions energy: -343.494 where: short stacking energy: -201.029 Base-Backbone interact. energy: -0.412 local terms energy: -317.591938 where: bonds (distance) C4'-P energy: -72.787 bonds (distance) P-C4' energy: -93.267 flat angles C4'-P-C4' energy: -81.226 flat angles P-C4'-P energy: -48.412 tors. eta vs tors. theta energy: -21.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -556.333604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.333604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.333604 (E_RNA) where: Base-Base interactions energy: -260.825 where: short stacking energy: -172.197 Base-Backbone interact. energy: -1.638 local terms energy: -293.870828 where: bonds (distance) C4'-P energy: -81.086 bonds (distance) P-C4' energy: -71.872 flat angles C4'-P-C4' energy: -78.128 flat angles P-C4'-P energy: -49.898 tors. eta vs tors. theta energy: -12.888 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: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -581.034174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.034174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.034174 (E_RNA) where: Base-Base interactions energy: -301.324 where: short stacking energy: -166.526 Base-Backbone interact. energy: -1.424 local terms energy: -278.286737 where: bonds (distance) C4'-P energy: -84.404 bonds (distance) P-C4' energy: -76.490 flat angles C4'-P-C4' energy: -74.866 flat angles P-C4'-P energy: -38.660 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -365.511560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.511560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.511560 (E_RNA) where: Base-Base interactions energy: -119.394 where: short stacking energy: -94.096 Base-Backbone interact. energy: -1.077 local terms energy: -245.040647 where: bonds (distance) C4'-P energy: -71.766 bonds (distance) P-C4' energy: -88.776 flat angles C4'-P-C4' energy: -68.154 flat angles P-C4'-P energy: -42.029 tors. eta vs tors. theta energy: 25.684 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: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1487.415710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.415710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.415710 (E_RNA) where: Base-Base interactions energy: -1013.955 where: short stacking energy: -442.804 Base-Backbone interact. energy: -3.353 local terms energy: -470.107545 where: bonds (distance) C4'-P energy: -88.409 bonds (distance) P-C4' energy: -91.708 flat angles C4'-P-C4' energy: -97.837 flat angles P-C4'-P energy: -60.766 tors. eta vs tors. theta energy: -131.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1373.817944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.817944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.817944 (E_RNA) where: Base-Base interactions energy: -872.300 where: short stacking energy: -432.296 Base-Backbone interact. energy: -1.006 local terms energy: -500.511735 where: bonds (distance) C4'-P energy: -93.345 bonds (distance) P-C4' energy: -101.115 flat angles C4'-P-C4' energy: -101.980 flat angles P-C4'-P energy: -72.282 tors. eta vs tors. theta energy: -131.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1202.645235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.645235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.645235 (E_RNA) where: Base-Base interactions energy: -759.292 where: short stacking energy: -366.969 Base-Backbone interact. energy: -1.591 local terms energy: -441.762097 where: bonds (distance) C4'-P energy: -96.631 bonds (distance) P-C4' energy: -94.075 flat angles C4'-P-C4' energy: -96.121 flat angles P-C4'-P energy: -64.588 tors. eta vs tors. theta energy: -90.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1162.884109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.884109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.884109 (E_RNA) where: Base-Base interactions energy: -716.365 where: short stacking energy: -370.233 Base-Backbone interact. energy: 0.643 local terms energy: -447.162467 where: bonds (distance) C4'-P energy: -78.623 bonds (distance) P-C4' energy: -85.720 flat angles C4'-P-C4' energy: -106.786 flat angles P-C4'-P energy: -64.353 tors. eta vs tors. theta energy: -111.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1033.628167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.628167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.628167 (E_RNA) where: Base-Base interactions energy: -639.416 where: short stacking energy: -291.587 Base-Backbone interact. energy: -3.366 local terms energy: -390.846063 where: bonds (distance) C4'-P energy: -92.671 bonds (distance) P-C4' energy: -97.234 flat angles C4'-P-C4' energy: -87.609 flat angles P-C4'-P energy: -51.435 tors. eta vs tors. theta energy: -61.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -877.826826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.826826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.826826 (E_RNA) where: Base-Base interactions energy: -514.135 where: short stacking energy: -250.874 Base-Backbone interact. energy: 0.876 local terms energy: -364.567378 where: bonds (distance) C4'-P energy: -81.704 bonds (distance) P-C4' energy: -90.288 flat angles C4'-P-C4' energy: -76.822 flat angles P-C4'-P energy: -55.246 tors. eta vs tors. theta energy: -60.507 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: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -673.774144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.774144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.774144 (E_RNA) where: Base-Base interactions energy: -336.978 where: short stacking energy: -197.682 Base-Backbone interact. energy: -1.065 local terms energy: -335.731491 where: bonds (distance) C4'-P energy: -80.167 bonds (distance) P-C4' energy: -82.609 flat angles C4'-P-C4' energy: -80.583 flat angles P-C4'-P energy: -54.466 tors. eta vs tors. theta energy: -37.907 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: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -583.271584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.271584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.271584 (E_RNA) where: Base-Base interactions energy: -271.374 where: short stacking energy: -166.062 Base-Backbone interact. energy: -1.585 local terms energy: -310.313279 where: bonds (distance) C4'-P energy: -92.665 bonds (distance) P-C4' energy: -85.431 flat angles C4'-P-C4' energy: -80.329 flat angles P-C4'-P energy: -40.998 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: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -610.485423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.485423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.485423 (E_RNA) where: Base-Base interactions energy: -332.438 where: short stacking energy: -193.355 Base-Backbone interact. energy: 2.007 local terms energy: -280.054506 where: bonds (distance) C4'-P energy: -75.238 bonds (distance) P-C4' energy: -68.195 flat angles C4'-P-C4' energy: -74.087 flat angles P-C4'-P energy: -44.959 tors. eta vs tors. theta energy: -17.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -363.410848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.410848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.410848 (E_RNA) where: Base-Base interactions energy: -122.248 where: short stacking energy: -97.752 Base-Backbone interact. energy: 1.607 local terms energy: -242.769735 where: bonds (distance) C4'-P energy: -77.337 bonds (distance) P-C4' energy: -79.592 flat angles C4'-P-C4' energy: -73.287 flat angles P-C4'-P energy: -37.739 tors. eta vs tors. theta energy: 25.185 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: 8 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1494.574709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.574709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.574709 (E_RNA) where: Base-Base interactions energy: -980.435 where: short stacking energy: -447.931 Base-Backbone interact. energy: -4.194 local terms energy: -509.946142 where: bonds (distance) C4'-P energy: -90.534 bonds (distance) P-C4' energy: -101.430 flat angles C4'-P-C4' energy: -107.984 flat angles P-C4'-P energy: -76.231 tors. eta vs tors. theta energy: -133.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1383.451012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.451012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.451012 (E_RNA) where: Base-Base interactions energy: -884.857 where: short stacking energy: -422.806 Base-Backbone interact. energy: -4.047 local terms energy: -494.547282 where: bonds (distance) C4'-P energy: -95.416 bonds (distance) P-C4' energy: -90.183 flat angles C4'-P-C4' energy: -106.711 flat angles P-C4'-P energy: -76.436 tors. eta vs tors. theta energy: -125.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1197.226673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.226673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.226673 (E_RNA) where: Base-Base interactions energy: -749.406 where: short stacking energy: -355.839 Base-Backbone interact. energy: -0.768 local terms energy: -447.053542 where: bonds (distance) C4'-P energy: -98.002 bonds (distance) P-C4' energy: -93.303 flat angles C4'-P-C4' energy: -99.369 flat angles P-C4'-P energy: -69.436 tors. eta vs tors. theta energy: -86.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1174.371459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.371459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.371459 (E_RNA) where: Base-Base interactions energy: -719.463 where: short stacking energy: -369.125 Base-Backbone interact. energy: -0.101 local terms energy: -454.807705 where: bonds (distance) C4'-P energy: -94.420 bonds (distance) P-C4' energy: -84.462 flat angles C4'-P-C4' energy: -98.464 flat angles P-C4'-P energy: -70.403 tors. eta vs tors. theta energy: -107.059 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: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -902.556127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.556127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.556127 (E_RNA) where: Base-Base interactions energy: -518.162 where: short stacking energy: -259.728 Base-Backbone interact. energy: 1.339 local terms energy: -385.733073 where: bonds (distance) C4'-P energy: -81.670 bonds (distance) P-C4' energy: -84.516 flat angles C4'-P-C4' energy: -90.960 flat angles P-C4'-P energy: -62.334 tors. eta vs tors. theta energy: -66.254 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: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -995.365661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.365661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.365661 (E_RNA) where: Base-Base interactions energy: -619.419 where: short stacking energy: -283.395 Base-Backbone interact. energy: -1.735 local terms energy: -374.212299 where: bonds (distance) C4'-P energy: -80.290 bonds (distance) P-C4' energy: -89.431 flat angles C4'-P-C4' energy: -90.178 flat angles P-C4'-P energy: -53.710 tors. eta vs tors. theta energy: -60.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -686.870437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.870437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.870437 (E_RNA) where: Base-Base interactions energy: -341.729 where: short stacking energy: -192.527 Base-Backbone interact. energy: -1.146 local terms energy: -343.995934 where: bonds (distance) C4'-P energy: -76.524 bonds (distance) P-C4' energy: -85.744 flat angles C4'-P-C4' energy: -83.955 flat angles P-C4'-P energy: -68.143 tors. eta vs tors. theta energy: -29.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -556.198377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.198377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.198377 (E_RNA) where: Base-Base interactions energy: -273.152 where: short stacking energy: -150.515 Base-Backbone interact. energy: -0.555 local terms energy: -282.491046 where: bonds (distance) C4'-P energy: -79.055 bonds (distance) P-C4' energy: -94.908 flat angles C4'-P-C4' energy: -71.378 flat angles P-C4'-P energy: -33.793 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -574.533404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.533404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.533404 (E_RNA) where: Base-Base interactions energy: -286.012 where: short stacking energy: -155.987 Base-Backbone interact. energy: 0.102 local terms energy: -288.623367 where: bonds (distance) C4'-P energy: -70.452 bonds (distance) P-C4' energy: -80.286 flat angles C4'-P-C4' energy: -75.718 flat angles P-C4'-P energy: -50.523 tors. eta vs tors. theta energy: -11.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -409.552375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.552375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.552375 (E_RNA) where: Base-Base interactions energy: -154.909 where: short stacking energy: -136.459 Base-Backbone interact. energy: 0.719 local terms energy: -255.362122 where: bonds (distance) C4'-P energy: -79.122 bonds (distance) P-C4' energy: -78.250 flat angles C4'-P-C4' energy: -62.407 flat angles P-C4'-P energy: -27.741 tors. eta vs tors. theta energy: -7.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1482.985901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.985901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.985901 (E_RNA) where: Base-Base interactions energy: -970.460 where: short stacking energy: -441.365 Base-Backbone interact. energy: -2.774 local terms energy: -509.751947 where: bonds (distance) C4'-P energy: -90.642 bonds (distance) P-C4' energy: -97.549 flat angles C4'-P-C4' energy: -120.865 flat angles P-C4'-P energy: -73.054 tors. eta vs tors. theta energy: -127.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1415.737328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.737328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.737328 (E_RNA) where: Base-Base interactions energy: -946.713 where: short stacking energy: -469.947 Base-Backbone interact. energy: -0.721 local terms energy: -468.303485 where: bonds (distance) C4'-P energy: -85.084 bonds (distance) P-C4' energy: -81.634 flat angles C4'-P-C4' energy: -105.475 flat angles P-C4'-P energy: -54.483 tors. eta vs tors. theta energy: -141.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1223.439208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.439208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.439208 (E_RNA) where: Base-Base interactions energy: -768.506 where: short stacking energy: -374.949 Base-Backbone interact. energy: -2.023 local terms energy: -452.910852 where: bonds (distance) C4'-P energy: -100.094 bonds (distance) P-C4' energy: -91.715 flat angles C4'-P-C4' energy: -105.321 flat angles P-C4'-P energy: -65.305 tors. eta vs tors. theta energy: -90.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1155.963224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.963224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.963224 (E_RNA) where: Base-Base interactions energy: -725.339 where: short stacking energy: -383.372 Base-Backbone interact. energy: -1.750 local terms energy: -428.873636 where: bonds (distance) C4'-P energy: -82.464 bonds (distance) P-C4' energy: -84.024 flat angles C4'-P-C4' energy: -95.896 flat angles P-C4'-P energy: -60.343 tors. eta vs tors. theta energy: -106.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -917.663267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.663267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.663267 (E_RNA) where: Base-Base interactions energy: -527.345 where: short stacking energy: -277.694 Base-Backbone interact. energy: -1.373 local terms energy: -388.945310 where: bonds (distance) C4'-P energy: -93.892 bonds (distance) P-C4' energy: -85.914 flat angles C4'-P-C4' energy: -96.699 flat angles P-C4'-P energy: -55.415 tors. eta vs tors. theta energy: -57.025 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: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -927.487846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.487846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.487846 (E_RNA) where: Base-Base interactions energy: -560.293 where: short stacking energy: -292.705 Base-Backbone interact. energy: 4.667 local terms energy: -371.860967 where: bonds (distance) C4'-P energy: -88.641 bonds (distance) P-C4' energy: -88.619 flat angles C4'-P-C4' energy: -85.476 flat angles P-C4'-P energy: -49.954 tors. eta vs tors. theta energy: -59.171 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: 7, replica: 9 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -659.374883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.374883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.374883 (E_RNA) where: Base-Base interactions energy: -335.942 where: short stacking energy: -188.887 Base-Backbone interact. energy: -0.040 local terms energy: -323.393323 where: bonds (distance) C4'-P energy: -92.479 bonds (distance) P-C4' energy: -77.448 flat angles C4'-P-C4' energy: -85.544 flat angles P-C4'-P energy: -58.974 tors. eta vs tors. theta energy: -8.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -585.241064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.241064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.241064 (E_RNA) where: Base-Base interactions energy: -328.454 where: short stacking energy: -186.052 Base-Backbone interact. energy: 6.381 local terms energy: -263.167750 where: bonds (distance) C4'-P energy: -68.996 bonds (distance) P-C4' energy: -84.248 flat angles C4'-P-C4' energy: -56.613 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: -3.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -582.658658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.658658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.658658 (E_RNA) where: Base-Base interactions energy: -293.957 where: short stacking energy: -170.472 Base-Backbone interact. energy: -0.643 local terms energy: -288.058033 where: bonds (distance) C4'-P energy: -73.807 bonds (distance) P-C4' energy: -78.914 flat angles C4'-P-C4' energy: -72.605 flat angles P-C4'-P energy: -46.045 tors. eta vs tors. theta energy: -16.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -398.979609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.979609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.979609 (E_RNA) where: Base-Base interactions energy: -149.525 where: short stacking energy: -102.563 Base-Backbone interact. energy: -0.155 local terms energy: -249.300026 where: bonds (distance) C4'-P energy: -72.812 bonds (distance) P-C4' energy: -78.784 flat angles C4'-P-C4' energy: -63.626 flat angles P-C4'-P energy: -35.257 tors. eta vs tors. theta energy: 1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1476.022851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.022851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.022851 (E_RNA) where: Base-Base interactions energy: -978.950 where: short stacking energy: -455.225 Base-Backbone interact. energy: -0.351 local terms energy: -496.721978 where: bonds (distance) C4'-P energy: -88.651 bonds (distance) P-C4' energy: -102.046 flat angles C4'-P-C4' energy: -106.822 flat angles P-C4'-P energy: -60.845 tors. eta vs tors. theta energy: -138.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1410.966451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.966451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.966451 (E_RNA) where: Base-Base interactions energy: -916.700 where: short stacking energy: -414.826 Base-Backbone interact. energy: -3.287 local terms energy: -490.979347 where: bonds (distance) C4'-P energy: -83.424 bonds (distance) P-C4' energy: -107.241 flat angles C4'-P-C4' energy: -103.815 flat angles P-C4'-P energy: -62.944 tors. eta vs tors. theta energy: -133.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1219.647333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.647333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.647333 (E_RNA) where: Base-Base interactions energy: -755.320 where: short stacking energy: -364.307 Base-Backbone interact. energy: 0.199 local terms energy: -464.526294 where: bonds (distance) C4'-P energy: -97.297 bonds (distance) P-C4' energy: -100.144 flat angles C4'-P-C4' energy: -108.292 flat angles P-C4'-P energy: -58.424 tors. eta vs tors. theta energy: -100.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1138.936959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.936959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.936959 (E_RNA) where: Base-Base interactions energy: -715.889 where: short stacking energy: -346.227 Base-Backbone interact. energy: -2.842 local terms energy: -420.206129 where: bonds (distance) C4'-P energy: -85.757 bonds (distance) P-C4' energy: -70.898 flat angles C4'-P-C4' energy: -96.654 flat angles P-C4'-P energy: -68.361 tors. eta vs tors. theta energy: -98.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -979.026370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.026370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.026370 (E_RNA) where: Base-Base interactions energy: -597.084 where: short stacking energy: -271.888 Base-Backbone interact. energy: -0.715 local terms energy: -381.227567 where: bonds (distance) C4'-P energy: -82.920 bonds (distance) P-C4' energy: -86.524 flat angles C4'-P-C4' energy: -89.889 flat angles P-C4'-P energy: -63.721 tors. eta vs tors. theta energy: -58.173 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: 6, replica: 3 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -828.159661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.159661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.159661 (E_RNA) where: Base-Base interactions energy: -494.491 where: short stacking energy: -269.624 Base-Backbone interact. energy: -1.230 local terms energy: -332.438411 where: bonds (distance) C4'-P energy: -70.844 bonds (distance) P-C4' energy: -90.268 flat angles C4'-P-C4' energy: -77.566 flat angles P-C4'-P energy: -45.683 tors. eta vs tors. theta energy: -48.078 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: 7, replica: 9 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -680.469673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.469673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.469673 (E_RNA) where: Base-Base interactions energy: -372.419 where: short stacking energy: -187.999 Base-Backbone interact. energy: -0.771 local terms energy: -307.279067 where: bonds (distance) C4'-P energy: -75.393 bonds (distance) P-C4' energy: -94.713 flat angles C4'-P-C4' energy: -76.655 flat angles P-C4'-P energy: -47.616 tors. eta vs tors. theta energy: -12.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -546.402771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.402771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.402771 (E_RNA) where: Base-Base interactions energy: -234.497 where: short stacking energy: -142.946 Base-Backbone interact. energy: -1.865 local terms energy: -310.040388 where: bonds (distance) C4'-P energy: -81.606 bonds (distance) P-C4' energy: -84.569 flat angles C4'-P-C4' energy: -77.587 flat angles P-C4'-P energy: -49.619 tors. eta vs tors. theta energy: -16.659 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: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -529.960611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.960611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.960611 (E_RNA) where: Base-Base interactions energy: -233.234 where: short stacking energy: -135.084 Base-Backbone interact. energy: -1.074 local terms energy: -295.651804 where: bonds (distance) C4'-P energy: -71.518 bonds (distance) P-C4' energy: -82.379 flat angles C4'-P-C4' energy: -76.628 flat angles P-C4'-P energy: -50.619 tors. eta vs tors. theta energy: -14.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -405.466850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.466850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.466850 (E_RNA) where: Base-Base interactions energy: -174.446 where: short stacking energy: -130.104 Base-Backbone interact. energy: 0.108 local terms energy: -231.128123 where: bonds (distance) C4'-P energy: -70.812 bonds (distance) P-C4' energy: -73.183 flat angles C4'-P-C4' energy: -64.758 flat angles P-C4'-P energy: -33.940 tors. eta vs tors. theta energy: 11.565 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: 8 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1480.331484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.331484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.331484 (E_RNA) where: Base-Base interactions energy: -989.953 where: short stacking energy: -436.001 Base-Backbone interact. energy: -1.510 local terms energy: -488.868893 where: bonds (distance) C4'-P energy: -101.682 bonds (distance) P-C4' energy: -101.455 flat angles C4'-P-C4' energy: -99.702 flat angles P-C4'-P energy: -67.273 tors. eta vs tors. theta energy: -118.757 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: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1446.757626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.757626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.757626 (E_RNA) where: Base-Base interactions energy: -929.895 where: short stacking energy: -450.764 Base-Backbone interact. energy: -2.198 local terms energy: -514.664638 where: bonds (distance) C4'-P energy: -93.698 bonds (distance) P-C4' energy: -99.096 flat angles C4'-P-C4' energy: -106.693 flat angles P-C4'-P energy: -76.527 tors. eta vs tors. theta energy: -138.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1237.764860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.764860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.764860 (E_RNA) where: Base-Base interactions energy: -773.325 where: short stacking energy: -383.211 Base-Backbone interact. energy: -0.342 local terms energy: -464.097852 where: bonds (distance) C4'-P energy: -106.225 bonds (distance) P-C4' energy: -103.429 flat angles C4'-P-C4' energy: -100.089 flat angles P-C4'-P energy: -47.519 tors. eta vs tors. theta energy: -106.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1123.152798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.152798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.152798 (E_RNA) where: Base-Base interactions energy: -711.772 where: short stacking energy: -359.240 Base-Backbone interact. energy: -1.830 local terms energy: -409.550493 where: bonds (distance) C4'-P energy: -83.177 bonds (distance) P-C4' energy: -80.668 flat angles C4'-P-C4' energy: -89.659 flat angles P-C4'-P energy: -58.678 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: 5, replica: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1019.458092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.458092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.458092 (E_RNA) where: Base-Base interactions energy: -661.667 where: short stacking energy: -294.880 Base-Backbone interact. energy: 2.980 local terms energy: -360.771750 where: bonds (distance) C4'-P energy: -83.156 bonds (distance) P-C4' energy: -86.734 flat angles C4'-P-C4' energy: -77.983 flat angles P-C4'-P energy: -59.334 tors. eta vs tors. theta energy: -53.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -828.634847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.634847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.634847 (E_RNA) where: Base-Base interactions energy: -489.576 where: short stacking energy: -253.480 Base-Backbone interact. energy: -2.003 local terms energy: -337.055400 where: bonds (distance) C4'-P energy: -91.242 bonds (distance) P-C4' energy: -91.295 flat angles C4'-P-C4' energy: -65.913 flat angles P-C4'-P energy: -38.594 tors. eta vs tors. theta energy: -50.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -644.644844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.644844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.644844 (E_RNA) where: Base-Base interactions energy: -306.464 where: short stacking energy: -175.220 Base-Backbone interact. energy: 0.802 local terms energy: -338.983423 where: bonds (distance) C4'-P energy: -76.696 bonds (distance) P-C4' energy: -73.772 flat angles C4'-P-C4' energy: -102.165 flat angles P-C4'-P energy: -60.193 tors. eta vs tors. theta energy: -26.157 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: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -589.753282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.753282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.753282 (E_RNA) where: Base-Base interactions energy: -290.408 where: short stacking energy: -160.376 Base-Backbone interact. energy: 1.275 local terms energy: -300.620773 where: bonds (distance) C4'-P energy: -75.305 bonds (distance) P-C4' energy: -90.191 flat angles C4'-P-C4' energy: -88.014 flat angles P-C4'-P energy: -54.399 tors. eta vs tors. theta energy: 7.288 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: 1 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -493.088297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.088297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.088297 (E_RNA) where: Base-Base interactions energy: -225.453 where: short stacking energy: -150.103 Base-Backbone interact. energy: 1.192 local terms energy: -268.827683 where: bonds (distance) C4'-P energy: -57.670 bonds (distance) P-C4' energy: -86.042 flat angles C4'-P-C4' energy: -71.957 flat angles P-C4'-P energy: -35.491 tors. eta vs tors. theta energy: -17.668 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: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -369.231944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.231944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.231944 (E_RNA) where: Base-Base interactions energy: -112.738 where: short stacking energy: -86.074 Base-Backbone interact. energy: -2.913 local terms energy: -253.581272 where: bonds (distance) C4'-P energy: -77.839 bonds (distance) P-C4' energy: -89.288 flat angles C4'-P-C4' energy: -74.409 flat angles P-C4'-P energy: -40.131 tors. eta vs tors. theta energy: 28.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1501.403127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.403127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.403127 (E_RNA) where: Base-Base interactions energy: -1013.944 where: short stacking energy: -450.835 Base-Backbone interact. energy: -2.624 local terms energy: -484.835478 where: bonds (distance) C4'-P energy: -88.209 bonds (distance) P-C4' energy: -90.097 flat angles C4'-P-C4' energy: -110.215 flat angles P-C4'-P energy: -59.730 tors. eta vs tors. theta energy: -136.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1448.490337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.490337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.490337 (E_RNA) where: Base-Base interactions energy: -959.034 where: short stacking energy: -458.826 Base-Backbone interact. energy: -0.334 local terms energy: -489.122855 where: bonds (distance) C4'-P energy: -82.828 bonds (distance) P-C4' energy: -96.064 flat angles C4'-P-C4' energy: -105.978 flat angles P-C4'-P energy: -67.490 tors. eta vs tors. theta energy: -136.762 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: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1231.004855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.004855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.004855 (E_RNA) where: Base-Base interactions energy: -797.220 where: short stacking energy: -383.830 Base-Backbone interact. energy: -2.511 local terms energy: -431.273421 where: bonds (distance) C4'-P energy: -83.162 bonds (distance) P-C4' energy: -91.675 flat angles C4'-P-C4' energy: -96.118 flat angles P-C4'-P energy: -69.038 tors. eta vs tors. theta energy: -91.282 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: 4, replica: 10 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1157.025874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.025874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.025874 (E_RNA) where: Base-Base interactions energy: -717.144 where: short stacking energy: -358.476 Base-Backbone interact. energy: 0.690 local terms energy: -440.571235 where: bonds (distance) C4'-P energy: -88.420 bonds (distance) P-C4' energy: -94.590 flat angles C4'-P-C4' energy: -92.076 flat angles P-C4'-P energy: -64.104 tors. eta vs tors. theta energy: -101.381 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: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1034.335127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.335127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.335127 (E_RNA) where: Base-Base interactions energy: -636.145 where: short stacking energy: -279.599 Base-Backbone interact. energy: 0.446 local terms energy: -398.636631 where: bonds (distance) C4'-P energy: -88.669 bonds (distance) P-C4' energy: -94.993 flat angles C4'-P-C4' energy: -96.845 flat angles P-C4'-P energy: -48.583 tors. eta vs tors. theta energy: -69.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -813.439231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.439231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.439231 (E_RNA) where: Base-Base interactions energy: -468.472 where: short stacking energy: -228.123 Base-Backbone interact. energy: -0.757 local terms energy: -344.210087 where: bonds (distance) C4'-P energy: -90.753 bonds (distance) P-C4' energy: -83.670 flat angles C4'-P-C4' energy: -83.349 flat angles P-C4'-P energy: -43.744 tors. eta vs tors. theta energy: -42.694 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: 9 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -710.578062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.578062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.578062 (E_RNA) where: Base-Base interactions energy: -391.829 where: short stacking energy: -209.594 Base-Backbone interact. energy: 0.993 local terms energy: -319.742456 where: bonds (distance) C4'-P energy: -74.063 bonds (distance) P-C4' energy: -91.209 flat angles C4'-P-C4' energy: -90.580 flat angles P-C4'-P energy: -47.905 tors. eta vs tors. theta energy: -15.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -651.618288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.618288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.618288 (E_RNA) where: Base-Base interactions energy: -366.341 where: short stacking energy: -196.796 Base-Backbone interact. energy: -1.426 local terms energy: -283.851898 where: bonds (distance) C4'-P energy: -61.433 bonds (distance) P-C4' energy: -83.778 flat angles C4'-P-C4' energy: -85.674 flat angles P-C4'-P energy: -35.708 tors. eta vs tors. theta energy: -17.258 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: 1 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -475.483533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.483533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.483533 (E_RNA) where: Base-Base interactions energy: -200.725 where: short stacking energy: -144.629 Base-Backbone interact. energy: -2.300 local terms energy: -272.458731 where: bonds (distance) C4'-P energy: -69.826 bonds (distance) P-C4' energy: -79.592 flat angles C4'-P-C4' energy: -72.821 flat angles P-C4'-P energy: -58.297 tors. eta vs tors. theta energy: 8.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -408.910793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.910793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.910793 (E_RNA) where: Base-Base interactions energy: -175.961 where: short stacking energy: -130.436 Base-Backbone interact. energy: 0.125 local terms energy: -233.075449 where: bonds (distance) C4'-P energy: -63.563 bonds (distance) P-C4' energy: -80.292 flat angles C4'-P-C4' energy: -56.868 flat angles P-C4'-P energy: -33.137 tors. eta vs tors. theta energy: 0.785 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: 8 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1481.058964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.058964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.058964 (E_RNA) where: Base-Base interactions energy: -991.615 where: short stacking energy: -431.619 Base-Backbone interact. energy: -2.543 local terms energy: -486.901438 where: bonds (distance) C4'-P energy: -92.447 bonds (distance) P-C4' energy: -96.242 flat angles C4'-P-C4' energy: -107.479 flat angles P-C4'-P energy: -66.286 tors. eta vs tors. theta energy: -124.448 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: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1420.967303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.967303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.967303 (E_RNA) where: Base-Base interactions energy: -938.723 where: short stacking energy: -438.571 Base-Backbone interact. energy: -3.108 local terms energy: -479.136457 where: bonds (distance) C4'-P energy: -92.642 bonds (distance) P-C4' energy: -97.119 flat angles C4'-P-C4' energy: -98.554 flat angles P-C4'-P energy: -65.358 tors. eta vs tors. theta energy: -125.463 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: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1185.342469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.342469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.342469 (E_RNA) where: Base-Base interactions energy: -737.121 where: short stacking energy: -337.837 Base-Backbone interact. energy: 0.353 local terms energy: -448.573656 where: bonds (distance) C4'-P energy: -93.234 bonds (distance) P-C4' energy: -99.459 flat angles C4'-P-C4' energy: -102.038 flat angles P-C4'-P energy: -55.543 tors. eta vs tors. theta energy: -98.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1177.037958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.037958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.037958 (E_RNA) where: Base-Base interactions energy: -745.365 where: short stacking energy: -346.976 Base-Backbone interact. energy: 1.502 local terms energy: -433.175093 where: bonds (distance) C4'-P energy: -76.653 bonds (distance) P-C4' energy: -99.505 flat angles C4'-P-C4' energy: -105.716 flat angles P-C4'-P energy: -45.871 tors. eta vs tors. theta energy: -105.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1031.614245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.614245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.614245 (E_RNA) where: Base-Base interactions energy: -675.629 where: short stacking energy: -299.435 Base-Backbone interact. energy: -3.506 local terms energy: -352.479185 where: bonds (distance) C4'-P energy: -91.432 bonds (distance) P-C4' energy: -82.169 flat angles C4'-P-C4' energy: -81.860 flat angles P-C4'-P energy: -44.315 tors. eta vs tors. theta energy: -52.704 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: 3 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -848.210636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.210636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.210636 (E_RNA) where: Base-Base interactions energy: -516.147 where: short stacking energy: -253.586 Base-Backbone interact. energy: 2.564 local terms energy: -334.627080 where: bonds (distance) C4'-P energy: -67.523 bonds (distance) P-C4' energy: -78.164 flat angles C4'-P-C4' energy: -98.826 flat angles P-C4'-P energy: -49.575 tors. eta vs tors. theta energy: -40.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -703.825109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.825109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.825109 (E_RNA) where: Base-Base interactions energy: -393.628 where: short stacking energy: -201.654 Base-Backbone interact. energy: -2.073 local terms energy: -308.124069 where: bonds (distance) C4'-P energy: -70.281 bonds (distance) P-C4' energy: -87.182 flat angles C4'-P-C4' energy: -66.846 flat angles P-C4'-P energy: -48.120 tors. eta vs tors. theta energy: -35.695 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: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -731.527319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.527319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.527319 (E_RNA) where: Base-Base interactions energy: -421.270 where: short stacking energy: -199.293 Base-Backbone interact. energy: -3.488 local terms energy: -306.769358 where: bonds (distance) C4'-P energy: -75.448 bonds (distance) P-C4' energy: -92.028 flat angles C4'-P-C4' energy: -75.001 flat angles P-C4'-P energy: -36.369 tors. eta vs tors. theta energy: -27.924 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: 1 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -414.617177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.617177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.617177 (E_RNA) where: Base-Base interactions energy: -151.896 where: short stacking energy: -112.668 Base-Backbone interact. energy: -1.271 local terms energy: -261.450288 where: bonds (distance) C4'-P energy: -75.082 bonds (distance) P-C4' energy: -89.253 flat angles C4'-P-C4' energy: -66.796 flat angles P-C4'-P energy: -52.721 tors. eta vs tors. theta energy: 22.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -367.532067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.532067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.532067 (E_RNA) where: Base-Base interactions energy: -149.590 where: short stacking energy: -107.511 Base-Backbone interact. energy: -1.649 local terms energy: -216.293275 where: bonds (distance) C4'-P energy: -70.033 bonds (distance) P-C4' energy: -85.058 flat angles C4'-P-C4' energy: -50.837 flat angles P-C4'-P energy: -26.128 tors. eta vs tors. theta energy: 15.762 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: 8 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1472.677451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.677451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.677451 (E_RNA) where: Base-Base interactions energy: -993.655 where: short stacking energy: -431.138 Base-Backbone interact. energy: 1.963 local terms energy: -480.985448 where: bonds (distance) C4'-P energy: -89.479 bonds (distance) P-C4' energy: -100.415 flat angles C4'-P-C4' energy: -107.522 flat angles P-C4'-P energy: -62.649 tors. eta vs tors. theta energy: -120.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1444.374480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.374480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.374480 (E_RNA) where: Base-Base interactions energy: -932.724 where: short stacking energy: -431.414 Base-Backbone interact. energy: 0.893 local terms energy: -512.543864 where: bonds (distance) C4'-P energy: -101.622 bonds (distance) P-C4' energy: -107.307 flat angles C4'-P-C4' energy: -107.382 flat angles P-C4'-P energy: -71.416 tors. eta vs tors. theta energy: -124.817 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: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1205.172943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.172943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.172943 (E_RNA) where: Base-Base interactions energy: -805.413 where: short stacking energy: -368.045 Base-Backbone interact. energy: 1.876 local terms energy: -401.636374 where: bonds (distance) C4'-P energy: -92.987 bonds (distance) P-C4' energy: -85.922 flat angles C4'-P-C4' energy: -80.973 flat angles P-C4'-P energy: -54.480 tors. eta vs tors. theta energy: -87.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1205.425481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.425481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.425481 (E_RNA) where: Base-Base interactions energy: -748.491 where: short stacking energy: -375.147 Base-Backbone interact. energy: -0.782 local terms energy: -456.153055 where: bonds (distance) C4'-P energy: -85.225 bonds (distance) P-C4' energy: -92.860 flat angles C4'-P-C4' energy: -96.149 flat angles P-C4'-P energy: -67.501 tors. eta vs tors. theta energy: -114.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1025.972427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.972427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.972427 (E_RNA) where: Base-Base interactions energy: -655.043 where: short stacking energy: -302.692 Base-Backbone interact. energy: 3.190 local terms energy: -374.119369 where: bonds (distance) C4'-P energy: -77.676 bonds (distance) P-C4' energy: -101.502 flat angles C4'-P-C4' energy: -85.080 flat angles P-C4'-P energy: -45.976 tors. eta vs tors. theta energy: -63.885 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: 6, replica: 3 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -938.655882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.655882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.655882 (E_RNA) where: Base-Base interactions energy: -537.515 where: short stacking energy: -280.154 Base-Backbone interact. energy: -0.890 local terms energy: -400.250906 where: bonds (distance) C4'-P energy: -92.619 bonds (distance) P-C4' energy: -100.662 flat angles C4'-P-C4' energy: -95.954 flat angles P-C4'-P energy: -51.282 tors. eta vs tors. theta energy: -59.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -752.798194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.798194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.798194 (E_RNA) where: Base-Base interactions energy: -403.897 where: short stacking energy: -226.183 Base-Backbone interact. energy: 0.717 local terms energy: -349.618236 where: bonds (distance) C4'-P energy: -93.598 bonds (distance) P-C4' energy: -84.047 flat angles C4'-P-C4' energy: -81.369 flat angles P-C4'-P energy: -52.960 tors. eta vs tors. theta energy: -37.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -678.113985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.113985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.113985 (E_RNA) where: Base-Base interactions energy: -361.632 where: short stacking energy: -191.277 Base-Backbone interact. energy: -0.310 local terms energy: -316.172115 where: bonds (distance) C4'-P energy: -84.303 bonds (distance) P-C4' energy: -94.717 flat angles C4'-P-C4' energy: -82.910 flat angles P-C4'-P energy: -42.185 tors. eta vs tors. theta energy: -12.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -401.389254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.389254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.389254 (E_RNA) where: Base-Base interactions energy: -135.678 where: short stacking energy: -113.008 Base-Backbone interact. energy: -0.631 local terms energy: -265.080000 where: bonds (distance) C4'-P energy: -69.900 bonds (distance) P-C4' energy: -87.182 flat angles C4'-P-C4' energy: -60.489 flat angles P-C4'-P energy: -50.025 tors. eta vs tors. theta energy: 2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -355.020280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.020280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.020280 (E_RNA) where: Base-Base interactions energy: -108.669 where: short stacking energy: -91.493 Base-Backbone interact. energy: -1.317 local terms energy: -245.034734 where: bonds (distance) C4'-P energy: -73.610 bonds (distance) P-C4' energy: -68.414 flat angles C4'-P-C4' energy: -62.295 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1489.939720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.939720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.939720 (E_RNA) where: Base-Base interactions energy: -1004.952 where: short stacking energy: -468.467 Base-Backbone interact. energy: -2.698 local terms energy: -482.289004 where: bonds (distance) C4'-P energy: -96.204 bonds (distance) P-C4' energy: -96.045 flat angles C4'-P-C4' energy: -89.383 flat angles P-C4'-P energy: -69.383 tors. eta vs tors. theta energy: -131.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1397.208885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.208885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.208885 (E_RNA) where: Base-Base interactions energy: -903.229 where: short stacking energy: -427.195 Base-Backbone interact. energy: -2.347 local terms energy: -491.632932 where: bonds (distance) C4'-P energy: -106.008 bonds (distance) P-C4' energy: -100.400 flat angles C4'-P-C4' energy: -95.404 flat angles P-C4'-P energy: -66.534 tors. eta vs tors. theta energy: -123.287 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: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1223.357481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.357481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.357481 (E_RNA) where: Base-Base interactions energy: -784.671 where: short stacking energy: -368.360 Base-Backbone interact. energy: -2.338 local terms energy: -436.349110 where: bonds (distance) C4'-P energy: -93.478 bonds (distance) P-C4' energy: -92.336 flat angles C4'-P-C4' energy: -96.448 flat angles P-C4'-P energy: -65.950 tors. eta vs tors. theta energy: -88.136 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: 10 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1201.080590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.080590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.080590 (E_RNA) where: Base-Base interactions energy: -749.321 where: short stacking energy: -379.470 Base-Backbone interact. energy: -0.009 local terms energy: -451.750302 where: bonds (distance) C4'-P energy: -85.032 bonds (distance) P-C4' energy: -91.645 flat angles C4'-P-C4' energy: -103.783 flat angles P-C4'-P energy: -58.471 tors. eta vs tors. theta energy: -112.820 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: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1019.476907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.476907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.476907 (E_RNA) where: Base-Base interactions energy: -635.713 where: short stacking energy: -298.343 Base-Backbone interact. energy: 3.852 local terms energy: -387.615930 where: bonds (distance) C4'-P energy: -83.518 bonds (distance) P-C4' energy: -96.110 flat angles C4'-P-C4' energy: -84.990 flat angles P-C4'-P energy: -54.954 tors. eta vs tors. theta energy: -68.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -890.098619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.098619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.098619 (E_RNA) where: Base-Base interactions energy: -525.957 where: short stacking energy: -267.196 Base-Backbone interact. energy: 2.703 local terms energy: -366.844691 where: bonds (distance) C4'-P energy: -87.997 bonds (distance) P-C4' energy: -84.504 flat angles C4'-P-C4' energy: -84.208 flat angles P-C4'-P energy: -54.744 tors. eta vs tors. theta energy: -55.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -783.732184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.732184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.732184 (E_RNA) where: Base-Base interactions energy: -446.746 where: short stacking energy: -216.091 Base-Backbone interact. energy: -2.113 local terms energy: -334.872712 where: bonds (distance) C4'-P energy: -72.288 bonds (distance) P-C4' energy: -99.360 flat angles C4'-P-C4' energy: -82.028 flat angles P-C4'-P energy: -51.377 tors. eta vs tors. theta energy: -29.820 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: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -643.625280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.625280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.625280 (E_RNA) where: Base-Base interactions energy: -319.689 where: short stacking energy: -174.437 Base-Backbone interact. energy: -1.231 local terms energy: -322.705138 where: bonds (distance) C4'-P energy: -74.664 bonds (distance) P-C4' energy: -90.159 flat angles C4'-P-C4' energy: -79.899 flat angles P-C4'-P energy: -60.890 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: 9, replica: 1 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -407.470991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.470991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.470991 (E_RNA) where: Base-Base interactions energy: -146.135 where: short stacking energy: -114.025 Base-Backbone interact. energy: -0.969 local terms energy: -260.366717 where: bonds (distance) C4'-P energy: -73.404 bonds (distance) P-C4' energy: -95.517 flat angles C4'-P-C4' energy: -66.373 flat angles P-C4'-P energy: -41.115 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: 10, replica: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -361.910782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.910782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.910782 (E_RNA) where: Base-Base interactions energy: -129.916 where: short stacking energy: -97.233 Base-Backbone interact. energy: 2.268 local terms energy: -234.262787 where: bonds (distance) C4'-P energy: -66.685 bonds (distance) P-C4' energy: -76.264 flat angles C4'-P-C4' energy: -67.874 flat angles P-C4'-P energy: -46.734 tors. eta vs tors. theta energy: 23.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1452.564718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.564718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.564718 (E_RNA) where: Base-Base interactions energy: -974.567 where: short stacking energy: -445.142 Base-Backbone interact. energy: -3.320 local terms energy: -474.678455 where: bonds (distance) C4'-P energy: -93.409 bonds (distance) P-C4' energy: -86.630 flat angles C4'-P-C4' energy: -103.492 flat angles P-C4'-P energy: -68.370 tors. eta vs tors. theta energy: -122.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1404.096359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.096359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.096359 (E_RNA) where: Base-Base interactions energy: -926.661 where: short stacking energy: -428.150 Base-Backbone interact. energy: -3.512 local terms energy: -473.923556 where: bonds (distance) C4'-P energy: -90.125 bonds (distance) P-C4' energy: -89.644 flat angles C4'-P-C4' energy: -110.264 flat angles P-C4'-P energy: -67.519 tors. eta vs tors. theta energy: -116.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1247.704963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.704963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.704963 (E_RNA) where: Base-Base interactions energy: -798.915 where: short stacking energy: -375.319 Base-Backbone interact. energy: -0.813 local terms energy: -447.976979 where: bonds (distance) C4'-P energy: -108.325 bonds (distance) P-C4' energy: -87.736 flat angles C4'-P-C4' energy: -109.943 flat angles P-C4'-P energy: -49.728 tors. eta vs tors. theta energy: -92.245 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: 10 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1210.076300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.076300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.076300 (E_RNA) where: Base-Base interactions energy: -785.284 where: short stacking energy: -374.399 Base-Backbone interact. energy: -2.673 local terms energy: -422.119508 where: bonds (distance) C4'-P energy: -81.343 bonds (distance) P-C4' energy: -93.158 flat angles C4'-P-C4' energy: -98.446 flat angles P-C4'-P energy: -42.662 tors. eta vs tors. theta energy: -106.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1039.772955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.772955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.772955 (E_RNA) where: Base-Base interactions energy: -643.662 where: short stacking energy: -319.660 Base-Backbone interact. energy: -1.390 local terms energy: -394.720489 where: bonds (distance) C4'-P energy: -77.242 bonds (distance) P-C4' energy: -90.379 flat angles C4'-P-C4' energy: -84.934 flat angles P-C4'-P energy: -55.350 tors. eta vs tors. theta energy: -86.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -889.408708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.408708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.408708 (E_RNA) where: Base-Base interactions energy: -535.362 where: short stacking energy: -270.701 Base-Backbone interact. energy: 1.233 local terms energy: -355.279413 where: bonds (distance) C4'-P energy: -86.589 bonds (distance) P-C4' energy: -79.574 flat angles C4'-P-C4' energy: -94.050 flat angles P-C4'-P energy: -48.807 tors. eta vs tors. theta energy: -46.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -797.630771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.630771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.630771 (E_RNA) where: Base-Base interactions energy: -467.305 where: short stacking energy: -223.238 Base-Backbone interact. energy: -3.880 local terms energy: -326.445310 where: bonds (distance) C4'-P energy: -91.530 bonds (distance) P-C4' energy: -93.652 flat angles C4'-P-C4' energy: -65.526 flat angles P-C4'-P energy: -52.132 tors. eta vs tors. theta energy: -23.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -665.359246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.359246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.359246 (E_RNA) where: Base-Base interactions energy: -351.880 where: short stacking energy: -184.035 Base-Backbone interact. energy: 0.797 local terms energy: -314.275942 where: bonds (distance) C4'-P energy: -69.589 bonds (distance) P-C4' energy: -94.249 flat angles C4'-P-C4' energy: -74.880 flat angles P-C4'-P energy: -51.483 tors. eta vs tors. theta energy: -24.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -423.441125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.441125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.441125 (E_RNA) where: Base-Base interactions energy: -158.342 where: short stacking energy: -124.676 Base-Backbone interact. energy: -3.617 local terms energy: -261.482596 where: bonds (distance) C4'-P energy: -81.245 bonds (distance) P-C4' energy: -78.974 flat angles C4'-P-C4' energy: -69.974 flat angles P-C4'-P energy: -32.668 tors. eta vs tors. theta energy: 1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -378.122676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.122676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.122676 (E_RNA) where: Base-Base interactions energy: -116.523 where: short stacking energy: -100.990 Base-Backbone interact. energy: 0.907 local terms energy: -262.506832 where: bonds (distance) C4'-P energy: -70.964 bonds (distance) P-C4' energy: -86.255 flat angles C4'-P-C4' energy: -73.574 flat angles P-C4'-P energy: -49.452 tors. eta vs tors. theta energy: 17.738 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: 8 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1436.031897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.031897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.031897 (E_RNA) where: Base-Base interactions energy: -940.532 where: short stacking energy: -440.411 Base-Backbone interact. energy: -2.442 local terms energy: -493.058199 where: bonds (distance) C4'-P energy: -90.323 bonds (distance) P-C4' energy: -100.499 flat angles C4'-P-C4' energy: -110.285 flat angles P-C4'-P energy: -72.635 tors. eta vs tors. theta energy: -119.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1410.059033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.059033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.059033 (E_RNA) where: Base-Base interactions energy: -933.913 where: short stacking energy: -429.929 Base-Backbone interact. energy: -2.498 local terms energy: -473.648394 where: bonds (distance) C4'-P energy: -91.871 bonds (distance) P-C4' energy: -91.890 flat angles C4'-P-C4' energy: -107.771 flat angles P-C4'-P energy: -59.592 tors. eta vs tors. theta energy: -122.525 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: 3, replica: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1265.875893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.875893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.875893 (E_RNA) where: Base-Base interactions energy: -824.439 where: short stacking energy: -393.208 Base-Backbone interact. energy: 0.588 local terms energy: -442.025055 where: bonds (distance) C4'-P energy: -88.772 bonds (distance) P-C4' energy: -90.004 flat angles C4'-P-C4' energy: -96.559 flat angles P-C4'-P energy: -57.819 tors. eta vs tors. theta energy: -108.871 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: 10 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1168.562989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.562989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.562989 (E_RNA) where: Base-Base interactions energy: -745.109 where: short stacking energy: -351.188 Base-Backbone interact. energy: -1.415 local terms energy: -422.039345 where: bonds (distance) C4'-P energy: -84.769 bonds (distance) P-C4' energy: -84.275 flat angles C4'-P-C4' energy: -99.476 flat angles P-C4'-P energy: -60.006 tors. eta vs tors. theta energy: -93.513 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: 77 Temperature: 1.100000 Total energy: -1049.591228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.591228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.591228 (E_RNA) where: Base-Base interactions energy: -645.872 where: short stacking energy: -305.750 Base-Backbone interact. energy: -0.250 local terms energy: -403.468655 where: bonds (distance) C4'-P energy: -87.114 bonds (distance) P-C4' energy: -92.419 flat angles C4'-P-C4' energy: -85.238 flat angles P-C4'-P energy: -58.141 tors. eta vs tors. theta energy: -80.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -901.595507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.595507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.595507 (E_RNA) where: Base-Base interactions energy: -537.082 where: short stacking energy: -277.154 Base-Backbone interact. energy: -2.152 local terms energy: -362.361750 where: bonds (distance) C4'-P energy: -96.814 bonds (distance) P-C4' energy: -70.192 flat angles C4'-P-C4' energy: -96.448 flat angles P-C4'-P energy: -55.479 tors. eta vs tors. theta energy: -43.428 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: 7, replica: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -792.190848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.190848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.190848 (E_RNA) where: Base-Base interactions energy: -442.001 where: short stacking energy: -222.210 Base-Backbone interact. energy: -0.881 local terms energy: -349.309088 where: bonds (distance) C4'-P energy: -78.304 bonds (distance) P-C4' energy: -91.713 flat angles C4'-P-C4' energy: -93.490 flat angles P-C4'-P energy: -47.792 tors. eta vs tors. theta energy: -38.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -670.240660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.240660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.240660 (E_RNA) where: Base-Base interactions energy: -369.968 where: short stacking energy: -194.825 Base-Backbone interact. energy: -2.401 local terms energy: -297.870968 where: bonds (distance) C4'-P energy: -63.804 bonds (distance) P-C4' energy: -71.703 flat angles C4'-P-C4' energy: -74.752 flat angles P-C4'-P energy: -54.623 tors. eta vs tors. theta energy: -32.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -419.479454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.479454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.479454 (E_RNA) where: Base-Base interactions energy: -167.831 where: short stacking energy: -116.090 Base-Backbone interact. energy: -3.542 local terms energy: -248.106483 where: bonds (distance) C4'-P energy: -77.590 bonds (distance) P-C4' energy: -72.294 flat angles C4'-P-C4' energy: -79.981 flat angles P-C4'-P energy: -32.426 tors. eta vs tors. theta energy: 14.185 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: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -377.319950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.319950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.319950 (E_RNA) where: Base-Base interactions energy: -119.451 where: short stacking energy: -90.658 Base-Backbone interact. energy: 4.424 local terms energy: -262.292246 where: bonds (distance) C4'-P energy: -83.407 bonds (distance) P-C4' energy: -83.741 flat angles C4'-P-C4' energy: -75.606 flat angles P-C4'-P energy: -33.470 tors. eta vs tors. theta energy: 13.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1473.133045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.133045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.133045 (E_RNA) where: Base-Base interactions energy: -954.585 where: short stacking energy: -421.214 Base-Backbone interact. energy: -3.784 local terms energy: -514.763265 where: bonds (distance) C4'-P energy: -95.160 bonds (distance) P-C4' energy: -100.950 flat angles C4'-P-C4' energy: -116.867 flat angles P-C4'-P energy: -76.141 tors. eta vs tors. theta energy: -125.646 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: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1370.804021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.804021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.804021 (E_RNA) where: Base-Base interactions energy: -893.090 where: short stacking energy: -430.983 Base-Backbone interact. energy: -2.838 local terms energy: -474.876232 where: bonds (distance) C4'-P energy: -85.425 bonds (distance) P-C4' energy: -97.109 flat angles C4'-P-C4' energy: -106.986 flat angles P-C4'-P energy: -54.831 tors. eta vs tors. theta energy: -130.525 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: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1280.296710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.296710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.296710 (E_RNA) where: Base-Base interactions energy: -843.677 where: short stacking energy: -383.272 Base-Backbone interact. energy: -1.282 local terms energy: -435.336875 where: bonds (distance) C4'-P energy: -84.566 bonds (distance) P-C4' energy: -95.141 flat angles C4'-P-C4' energy: -89.568 flat angles P-C4'-P energy: -65.253 tors. eta vs tors. theta energy: -100.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1172.049418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.049418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.049418 (E_RNA) where: Base-Base interactions energy: -739.659 where: short stacking energy: -360.304 Base-Backbone interact. energy: -1.471 local terms energy: -430.919420 where: bonds (distance) C4'-P energy: -80.595 bonds (distance) P-C4' energy: -82.897 flat angles C4'-P-C4' energy: -94.753 flat angles P-C4'-P energy: -65.867 tors. eta vs tors. theta energy: -106.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1050.095614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.095614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.095614 (E_RNA) where: Base-Base interactions energy: -657.244 where: short stacking energy: -319.822 Base-Backbone interact. energy: -0.368 local terms energy: -392.483822 where: bonds (distance) C4'-P energy: -100.206 bonds (distance) P-C4' energy: -81.034 flat angles C4'-P-C4' energy: -87.020 flat angles P-C4'-P energy: -42.320 tors. eta vs tors. theta energy: -81.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -903.316951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.316951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.316951 (E_RNA) where: Base-Base interactions energy: -555.436 where: short stacking energy: -273.167 Base-Backbone interact. energy: 1.458 local terms energy: -349.338918 where: bonds (distance) C4'-P energy: -81.484 bonds (distance) P-C4' energy: -79.784 flat angles C4'-P-C4' energy: -94.089 flat angles P-C4'-P energy: -36.379 tors. eta vs tors. theta energy: -57.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -774.493828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.493828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.493828 (E_RNA) where: Base-Base interactions energy: -419.211 where: short stacking energy: -219.940 Base-Backbone interact. energy: -1.166 local terms energy: -354.117130 where: bonds (distance) C4'-P energy: -80.043 bonds (distance) P-C4' energy: -82.170 flat angles C4'-P-C4' energy: -86.907 flat angles P-C4'-P energy: -55.221 tors. eta vs tors. theta energy: -49.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -617.710047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.710047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.710047 (E_RNA) where: Base-Base interactions energy: -330.584 where: short stacking energy: -189.927 Base-Backbone interact. energy: -2.522 local terms energy: -284.604457 where: bonds (distance) C4'-P energy: -77.709 bonds (distance) P-C4' energy: -72.267 flat angles C4'-P-C4' energy: -81.687 flat angles P-C4'-P energy: -43.380 tors. eta vs tors. theta energy: -9.560 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: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -499.067914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.067914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.067914 (E_RNA) where: Base-Base interactions energy: -222.669 where: short stacking energy: -135.337 Base-Backbone interact. energy: 1.057 local terms energy: -277.456078 where: bonds (distance) C4'-P energy: -71.092 bonds (distance) P-C4' energy: -88.971 flat angles C4'-P-C4' energy: -76.255 flat angles P-C4'-P energy: -38.820 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -374.931385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.931385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.931385 (E_RNA) where: Base-Base interactions energy: -136.585 where: short stacking energy: -113.543 Base-Backbone interact. energy: 3.816 local terms energy: -242.162575 where: bonds (distance) C4'-P energy: -83.867 bonds (distance) P-C4' energy: -75.590 flat angles C4'-P-C4' energy: -77.558 flat angles P-C4'-P energy: -30.200 tors. eta vs tors. theta energy: 25.052 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: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1490.315508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.315508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.315508 (E_RNA) where: Base-Base interactions energy: -999.433 where: short stacking energy: -450.434 Base-Backbone interact. energy: -4.389 local terms energy: -486.493600 where: bonds (distance) C4'-P energy: -97.264 bonds (distance) P-C4' energy: -97.489 flat angles C4'-P-C4' energy: -103.456 flat angles P-C4'-P energy: -70.054 tors. eta vs tors. theta energy: -118.231 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: 4 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1418.113637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.113637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.113637 (E_RNA) where: Base-Base interactions energy: -909.723 where: short stacking energy: -439.318 Base-Backbone interact. energy: -0.807 local terms energy: -507.584140 where: bonds (distance) C4'-P energy: -93.427 bonds (distance) P-C4' energy: -98.138 flat angles C4'-P-C4' energy: -115.660 flat angles P-C4'-P energy: -82.310 tors. eta vs tors. theta energy: -118.049 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: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1279.637317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.637317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.637317 (E_RNA) where: Base-Base interactions energy: -813.991 where: short stacking energy: -369.627 Base-Backbone interact. energy: -1.903 local terms energy: -463.744107 where: bonds (distance) C4'-P energy: -83.049 bonds (distance) P-C4' energy: -96.221 flat angles C4'-P-C4' energy: -115.381 flat angles P-C4'-P energy: -67.524 tors. eta vs tors. theta energy: -101.569 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: 10 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1174.851778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.851778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.851778 (E_RNA) where: Base-Base interactions energy: -738.706 where: short stacking energy: -350.315 Base-Backbone interact. energy: -1.139 local terms energy: -435.006608 where: bonds (distance) C4'-P energy: -76.079 bonds (distance) P-C4' energy: -91.028 flat angles C4'-P-C4' energy: -108.910 flat angles P-C4'-P energy: -59.544 tors. eta vs tors. theta energy: -99.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1052.483975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.483975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.483975 (E_RNA) where: Base-Base interactions energy: -664.467 where: short stacking energy: -306.612 Base-Backbone interact. energy: 2.508 local terms energy: -390.525242 where: bonds (distance) C4'-P energy: -74.053 bonds (distance) P-C4' energy: -87.383 flat angles C4'-P-C4' energy: -96.750 flat angles P-C4'-P energy: -45.811 tors. eta vs tors. theta energy: -86.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -882.244172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.244172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.244172 (E_RNA) where: Base-Base interactions energy: -524.172 where: short stacking energy: -260.190 Base-Backbone interact. energy: -1.735 local terms energy: -356.337155 where: bonds (distance) C4'-P energy: -78.744 bonds (distance) P-C4' energy: -89.590 flat angles C4'-P-C4' energy: -78.147 flat angles P-C4'-P energy: -54.157 tors. eta vs tors. theta energy: -55.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -741.192570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.192570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.192570 (E_RNA) where: Base-Base interactions energy: -434.669 where: short stacking energy: -218.995 Base-Backbone interact. energy: -0.604 local terms energy: -305.919695 where: bonds (distance) C4'-P energy: -89.477 bonds (distance) P-C4' energy: -76.143 flat angles C4'-P-C4' energy: -61.005 flat angles P-C4'-P energy: -55.752 tors. eta vs tors. theta energy: -23.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -598.600267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.600267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.600267 (E_RNA) where: Base-Base interactions energy: -333.542 where: short stacking energy: -185.348 Base-Backbone interact. energy: 5.928 local terms energy: -270.986195 where: bonds (distance) C4'-P energy: -71.967 bonds (distance) P-C4' energy: -87.701 flat angles C4'-P-C4' energy: -62.920 flat angles P-C4'-P energy: -33.299 tors. eta vs tors. theta energy: -15.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -492.794913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.794913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.794913 (E_RNA) where: Base-Base interactions energy: -193.648 where: short stacking energy: -126.024 Base-Backbone interact. energy: -1.123 local terms energy: -298.024749 where: bonds (distance) C4'-P energy: -59.584 bonds (distance) P-C4' energy: -83.658 flat angles C4'-P-C4' energy: -90.041 flat angles P-C4'-P energy: -60.275 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -376.612951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.612951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.612951 (E_RNA) where: Base-Base interactions energy: -131.629 where: short stacking energy: -117.469 Base-Backbone interact. energy: 1.467 local terms energy: -246.450842 where: bonds (distance) C4'-P energy: -66.073 bonds (distance) P-C4' energy: -69.193 flat angles C4'-P-C4' energy: -83.990 flat angles P-C4'-P energy: -45.606 tors. eta vs tors. theta energy: 18.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1474.646660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.646660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.646660 (E_RNA) where: Base-Base interactions energy: -990.227 where: short stacking energy: -441.338 Base-Backbone interact. energy: -2.744 local terms energy: -481.676035 where: bonds (distance) C4'-P energy: -94.263 bonds (distance) P-C4' energy: -97.287 flat angles C4'-P-C4' energy: -100.888 flat angles P-C4'-P energy: -63.746 tors. eta vs tors. theta energy: -125.492 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: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1397.470303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.470303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.470303 (E_RNA) where: Base-Base interactions energy: -917.845 where: short stacking energy: -418.242 Base-Backbone interact. energy: 1.159 local terms energy: -480.783718 where: bonds (distance) C4'-P energy: -102.415 bonds (distance) P-C4' energy: -87.208 flat angles C4'-P-C4' energy: -91.915 flat angles P-C4'-P energy: -70.600 tors. eta vs tors. theta energy: -128.646 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: 80 Temperature: 1.000000 Total energy: -1299.368510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.368510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.368510 (E_RNA) where: Base-Base interactions energy: -840.177 where: short stacking energy: -389.877 Base-Backbone interact. energy: 1.489 local terms energy: -460.680374 where: bonds (distance) C4'-P energy: -98.133 bonds (distance) P-C4' energy: -86.223 flat angles C4'-P-C4' energy: -101.125 flat angles P-C4'-P energy: -67.239 tors. eta vs tors. theta energy: -107.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1178.645552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.645552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.645552 (E_RNA) where: Base-Base interactions energy: -734.385 where: short stacking energy: -359.210 Base-Backbone interact. energy: -0.855 local terms energy: -443.406060 where: bonds (distance) C4'-P energy: -88.276 bonds (distance) P-C4' energy: -95.701 flat angles C4'-P-C4' energy: -99.798 flat angles P-C4'-P energy: -62.472 tors. eta vs tors. theta energy: -97.159 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: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1077.775474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.775474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.775474 (E_RNA) where: Base-Base interactions energy: -657.236 where: short stacking energy: -309.300 Base-Backbone interact. energy: -1.336 local terms energy: -419.203388 where: bonds (distance) C4'-P energy: -89.824 bonds (distance) P-C4' energy: -95.372 flat angles C4'-P-C4' energy: -97.158 flat angles P-C4'-P energy: -57.505 tors. eta vs tors. theta energy: -79.345 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: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -906.665476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.665476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.665476 (E_RNA) where: Base-Base interactions energy: -521.924 where: short stacking energy: -276.839 Base-Backbone interact. energy: -3.320 local terms energy: -381.421618 where: bonds (distance) C4'-P energy: -81.237 bonds (distance) P-C4' energy: -81.776 flat angles C4'-P-C4' energy: -95.721 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: -59.982 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: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -757.677084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.677084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.677084 (E_RNA) where: Base-Base interactions energy: -435.982 where: short stacking energy: -223.416 Base-Backbone interact. energy: -0.891 local terms energy: -320.804347 where: bonds (distance) C4'-P energy: -87.710 bonds (distance) P-C4' energy: -86.929 flat angles C4'-P-C4' energy: -75.675 flat angles P-C4'-P energy: -40.324 tors. eta vs tors. theta energy: -30.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -643.528936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.528936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.528936 (E_RNA) where: Base-Base interactions energy: -333.624 where: short stacking energy: -175.057 Base-Backbone interact. energy: -1.586 local terms energy: -308.318523 where: bonds (distance) C4'-P energy: -79.461 bonds (distance) P-C4' energy: -84.989 flat angles C4'-P-C4' energy: -87.020 flat angles P-C4'-P energy: -42.403 tors. eta vs tors. theta energy: -14.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -512.199733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.199733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.199733 (E_RNA) where: Base-Base interactions energy: -237.932 where: short stacking energy: -161.693 Base-Backbone interact. energy: 0.561 local terms energy: -274.828311 where: bonds (distance) C4'-P energy: -77.776 bonds (distance) P-C4' energy: -89.700 flat angles C4'-P-C4' energy: -52.015 flat angles P-C4'-P energy: -47.878 tors. eta vs tors. theta energy: -7.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -420.773907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.773907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.773907 (E_RNA) where: Base-Base interactions energy: -157.251 where: short stacking energy: -109.185 Base-Backbone interact. energy: -1.950 local terms energy: -261.573051 where: bonds (distance) C4'-P energy: -83.968 bonds (distance) P-C4' energy: -85.402 flat angles C4'-P-C4' energy: -66.139 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: 11.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1475.001354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.001354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.001354 (E_RNA) where: Base-Base interactions energy: -962.394 where: short stacking energy: -444.340 Base-Backbone interact. energy: -2.550 local terms energy: -510.057064 where: bonds (distance) C4'-P energy: -90.844 bonds (distance) P-C4' energy: -95.237 flat angles C4'-P-C4' energy: -111.255 flat angles P-C4'-P energy: -79.734 tors. eta vs tors. theta energy: -132.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1435.041838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.041838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.041838 (E_RNA) where: Base-Base interactions energy: -939.352 where: short stacking energy: -426.560 Base-Backbone interact. energy: -2.999 local terms energy: -492.691733 where: bonds (distance) C4'-P energy: -95.758 bonds (distance) P-C4' energy: -100.202 flat angles C4'-P-C4' energy: -100.798 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: -127.306 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: 81 Temperature: 1.000000 Total energy: -1291.822516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.822516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.822516 (E_RNA) where: Base-Base interactions energy: -841.323 where: short stacking energy: -363.998 Base-Backbone interact. energy: -1.221 local terms energy: -449.278748 where: bonds (distance) C4'-P energy: -89.760 bonds (distance) P-C4' energy: -94.111 flat angles C4'-P-C4' energy: -97.311 flat angles P-C4'-P energy: -60.263 tors. eta vs tors. theta energy: -107.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1153.210254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.210254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.210254 (E_RNA) where: Base-Base interactions energy: -728.482 where: short stacking energy: -342.588 Base-Backbone interact. energy: -3.767 local terms energy: -420.962004 where: bonds (distance) C4'-P energy: -94.197 bonds (distance) P-C4' energy: -82.805 flat angles C4'-P-C4' energy: -97.994 flat angles P-C4'-P energy: -59.379 tors. eta vs tors. theta energy: -86.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1054.895731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.895731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.895731 (E_RNA) where: Base-Base interactions energy: -667.954 where: short stacking energy: -313.867 Base-Backbone interact. energy: -1.459 local terms energy: -385.482461 where: bonds (distance) C4'-P energy: -83.972 bonds (distance) P-C4' energy: -87.132 flat angles C4'-P-C4' energy: -80.097 flat angles P-C4'-P energy: -55.364 tors. eta vs tors. theta energy: -78.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -878.637500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.637500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.637500 (E_RNA) where: Base-Base interactions energy: -534.880 where: short stacking energy: -233.178 Base-Backbone interact. energy: -0.300 local terms energy: -343.457690 where: bonds (distance) C4'-P energy: -73.851 bonds (distance) P-C4' energy: -82.049 flat angles C4'-P-C4' energy: -88.408 flat angles P-C4'-P energy: -69.924 tors. eta vs tors. theta energy: -29.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -776.545856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.545856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.545856 (E_RNA) where: Base-Base interactions energy: -465.412 where: short stacking energy: -237.789 Base-Backbone interact. energy: -0.799 local terms energy: -310.335009 where: bonds (distance) C4'-P energy: -89.188 bonds (distance) P-C4' energy: -83.019 flat angles C4'-P-C4' energy: -69.778 flat angles P-C4'-P energy: -38.109 tors. eta vs tors. theta energy: -30.240 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: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -638.792405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.792405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.792405 (E_RNA) where: Base-Base interactions energy: -340.737 where: short stacking energy: -176.918 Base-Backbone interact. energy: 3.137 local terms energy: -301.191920 where: bonds (distance) C4'-P energy: -70.895 bonds (distance) P-C4' energy: -72.616 flat angles C4'-P-C4' energy: -88.341 flat angles P-C4'-P energy: -57.471 tors. eta vs tors. theta energy: -11.869 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: 5 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -498.626286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.626286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.626286 (E_RNA) where: Base-Base interactions energy: -253.419 where: short stacking energy: -152.058 Base-Backbone interact. energy: -1.323 local terms energy: -243.884560 where: bonds (distance) C4'-P energy: -70.992 bonds (distance) P-C4' energy: -83.880 flat angles C4'-P-C4' energy: -66.457 flat angles P-C4'-P energy: -21.011 tors. eta vs tors. theta energy: -1.545 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: 10, replica: 1 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -372.630698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.630698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.630698 (E_RNA) where: Base-Base interactions energy: -128.908 where: short stacking energy: -121.482 Base-Backbone interact. energy: -1.625 local terms energy: -242.098304 where: bonds (distance) C4'-P energy: -81.247 bonds (distance) P-C4' energy: -70.863 flat angles C4'-P-C4' energy: -63.173 flat angles P-C4'-P energy: -32.508 tors. eta vs tors. theta energy: 5.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1485.501277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.501277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.501277 (E_RNA) where: Base-Base interactions energy: -978.418 where: short stacking energy: -442.636 Base-Backbone interact. energy: -1.299 local terms energy: -505.783537 where: bonds (distance) C4'-P energy: -102.719 bonds (distance) P-C4' energy: -93.010 flat angles C4'-P-C4' energy: -109.266 flat angles P-C4'-P energy: -67.409 tors. eta vs tors. theta energy: -133.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1482.076391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.076391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.076391 (E_RNA) where: Base-Base interactions energy: -970.601 where: short stacking energy: -477.223 Base-Backbone interact. energy: -2.475 local terms energy: -509.000665 where: bonds (distance) C4'-P energy: -95.361 bonds (distance) P-C4' energy: -86.084 flat angles C4'-P-C4' energy: -110.015 flat angles P-C4'-P energy: -64.568 tors. eta vs tors. theta energy: -152.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1314.265813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.265813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.265813 (E_RNA) where: Base-Base interactions energy: -860.831 where: short stacking energy: -383.561 Base-Backbone interact. energy: -0.605 local terms energy: -452.829887 where: bonds (distance) C4'-P energy: -86.793 bonds (distance) P-C4' energy: -87.917 flat angles C4'-P-C4' energy: -102.173 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: -103.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1202.945908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.945908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.945908 (E_RNA) where: Base-Base interactions energy: -775.840 where: short stacking energy: -356.584 Base-Backbone interact. energy: -1.059 local terms energy: -426.046275 where: bonds (distance) C4'-P energy: -100.873 bonds (distance) P-C4' energy: -93.229 flat angles C4'-P-C4' energy: -83.893 flat angles P-C4'-P energy: -55.520 tors. eta vs tors. theta energy: -92.531 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: 82 Temperature: 1.100000 Total energy: -1015.805535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.805535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.805535 (E_RNA) where: Base-Base interactions energy: -631.046 where: short stacking energy: -296.593 Base-Backbone interact. energy: -1.724 local terms energy: -383.035412 where: bonds (distance) C4'-P energy: -80.245 bonds (distance) P-C4' energy: -91.835 flat angles C4'-P-C4' energy: -84.538 flat angles P-C4'-P energy: -62.043 tors. eta vs tors. theta energy: -64.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -881.544890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.544890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.544890 (E_RNA) where: Base-Base interactions energy: -551.914 where: short stacking energy: -247.654 Base-Backbone interact. energy: 1.326 local terms energy: -330.956962 where: bonds (distance) C4'-P energy: -61.784 bonds (distance) P-C4' energy: -85.855 flat angles C4'-P-C4' energy: -76.496 flat angles P-C4'-P energy: -60.407 tors. eta vs tors. theta energy: -46.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -770.792223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.792223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.792223 (E_RNA) where: Base-Base interactions energy: -425.466 where: short stacking energy: -246.125 Base-Backbone interact. energy: -1.599 local terms energy: -343.727420 where: bonds (distance) C4'-P energy: -91.571 bonds (distance) P-C4' energy: -83.098 flat angles C4'-P-C4' energy: -82.044 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -36.829 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: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -690.003267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.003267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.003267 (E_RNA) where: Base-Base interactions energy: -376.780 where: short stacking energy: -192.057 Base-Backbone interact. energy: 2.823 local terms energy: -316.046084 where: bonds (distance) C4'-P energy: -99.043 bonds (distance) P-C4' energy: -78.718 flat angles C4'-P-C4' energy: -74.717 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: -14.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -463.793186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.793186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.793186 (E_RNA) where: Base-Base interactions energy: -202.691 where: short stacking energy: -134.413 Base-Backbone interact. energy: -0.174 local terms energy: -260.928261 where: bonds (distance) C4'-P energy: -65.986 bonds (distance) P-C4' energy: -81.920 flat angles C4'-P-C4' energy: -72.086 flat angles P-C4'-P energy: -38.681 tors. eta vs tors. theta energy: -2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -400.268951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.268951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.268951 (E_RNA) where: Base-Base interactions energy: -159.315 where: short stacking energy: -131.214 Base-Backbone interact. energy: 6.474 local terms energy: -247.428153 where: bonds (distance) C4'-P energy: -75.545 bonds (distance) P-C4' energy: -79.793 flat angles C4'-P-C4' energy: -49.487 flat angles P-C4'-P energy: -39.234 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1469.186971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.186971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.186971 (E_RNA) where: Base-Base interactions energy: -980.652 where: short stacking energy: -438.711 Base-Backbone interact. energy: -4.158 local terms energy: -484.377353 where: bonds (distance) C4'-P energy: -80.992 bonds (distance) P-C4' energy: -95.019 flat angles C4'-P-C4' energy: -112.215 flat angles P-C4'-P energy: -69.433 tors. eta vs tors. theta energy: -126.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1470.876744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.876744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.876744 (E_RNA) where: Base-Base interactions energy: -971.901 where: short stacking energy: -452.497 Base-Backbone interact. energy: -1.531 local terms energy: -497.444092 where: bonds (distance) C4'-P energy: -98.919 bonds (distance) P-C4' energy: -92.392 flat angles C4'-P-C4' energy: -105.161 flat angles P-C4'-P energy: -62.322 tors. eta vs tors. theta energy: -138.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1268.806121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.806121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.806121 (E_RNA) where: Base-Base interactions energy: -801.522 where: short stacking energy: -382.443 Base-Backbone interact. energy: -1.474 local terms energy: -465.810132 where: bonds (distance) C4'-P energy: -92.328 bonds (distance) P-C4' energy: -102.193 flat angles C4'-P-C4' energy: -99.787 flat angles P-C4'-P energy: -58.766 tors. eta vs tors. theta energy: -112.736 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: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1224.994633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.994633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.994633 (E_RNA) where: Base-Base interactions energy: -781.411 where: short stacking energy: -377.593 Base-Backbone interact. energy: -1.304 local terms energy: -442.279205 where: bonds (distance) C4'-P energy: -95.077 bonds (distance) P-C4' energy: -92.393 flat angles C4'-P-C4' energy: -90.891 flat angles P-C4'-P energy: -60.100 tors. eta vs tors. theta energy: -103.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -991.979664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.979664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.979664 (E_RNA) where: Base-Base interactions energy: -603.228 where: short stacking energy: -309.392 Base-Backbone interact. energy: -0.204 local terms energy: -388.547331 where: bonds (distance) C4'-P energy: -87.617 bonds (distance) P-C4' energy: -94.917 flat angles C4'-P-C4' energy: -92.590 flat angles P-C4'-P energy: -43.283 tors. eta vs tors. theta energy: -70.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -906.624564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.624564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.624564 (E_RNA) where: Base-Base interactions energy: -531.059 where: short stacking energy: -280.885 Base-Backbone interact. energy: -2.334 local terms energy: -373.231160 where: bonds (distance) C4'-P energy: -81.586 bonds (distance) P-C4' energy: -97.747 flat angles C4'-P-C4' energy: -87.352 flat angles P-C4'-P energy: -56.737 tors. eta vs tors. theta energy: -49.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -735.969822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.969822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.969822 (E_RNA) where: Base-Base interactions energy: -408.814 where: short stacking energy: -225.881 Base-Backbone interact. energy: -0.119 local terms energy: -327.037367 where: bonds (distance) C4'-P energy: -87.320 bonds (distance) P-C4' energy: -70.806 flat angles C4'-P-C4' energy: -89.168 flat angles P-C4'-P energy: -42.827 tors. eta vs tors. theta energy: -36.915 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: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -661.695491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.695491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.695491 (E_RNA) where: Base-Base interactions energy: -349.518 where: short stacking energy: -188.943 Base-Backbone interact. energy: -3.366 local terms energy: -308.811523 where: bonds (distance) C4'-P energy: -82.363 bonds (distance) P-C4' energy: -92.393 flat angles C4'-P-C4' energy: -60.997 flat angles P-C4'-P energy: -45.345 tors. eta vs tors. theta energy: -27.713 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: 9, replica: 5 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -473.852340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.852340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.852340 (E_RNA) where: Base-Base interactions energy: -199.490 where: short stacking energy: -141.565 Base-Backbone interact. energy: -2.623 local terms energy: -271.739662 where: bonds (distance) C4'-P energy: -52.285 bonds (distance) P-C4' energy: -89.136 flat angles C4'-P-C4' energy: -75.827 flat angles P-C4'-P energy: -61.188 tors. eta vs tors. theta energy: 6.695 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: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -366.698098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.698098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.698098 (E_RNA) where: Base-Base interactions energy: -123.144 where: short stacking energy: -113.272 Base-Backbone interact. energy: -0.189 local terms energy: -243.365526 where: bonds (distance) C4'-P energy: -72.045 bonds (distance) P-C4' energy: -79.178 flat angles C4'-P-C4' energy: -62.677 flat angles P-C4'-P energy: -41.994 tors. eta vs tors. theta energy: 12.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1499.452279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.452279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.452279 (E_RNA) where: Base-Base interactions energy: -984.484 where: short stacking energy: -436.592 Base-Backbone interact. energy: -2.421 local terms energy: -512.547731 where: bonds (distance) C4'-P energy: -98.385 bonds (distance) P-C4' energy: -98.180 flat angles C4'-P-C4' energy: -116.288 flat angles P-C4'-P energy: -68.907 tors. eta vs tors. theta energy: -130.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1449.768823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.768823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.768823 (E_RNA) where: Base-Base interactions energy: -961.740 where: short stacking energy: -453.380 Base-Backbone interact. energy: -2.709 local terms energy: -485.319903 where: bonds (distance) C4'-P energy: -90.549 bonds (distance) P-C4' energy: -96.227 flat angles C4'-P-C4' energy: -103.678 flat angles P-C4'-P energy: -53.248 tors. eta vs tors. theta energy: -141.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1274.324164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.324164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.324164 (E_RNA) where: Base-Base interactions energy: -816.522 where: short stacking energy: -375.867 Base-Backbone interact. energy: -2.261 local terms energy: -455.541151 where: bonds (distance) C4'-P energy: -93.213 bonds (distance) P-C4' energy: -93.907 flat angles C4'-P-C4' energy: -94.616 flat angles P-C4'-P energy: -73.633 tors. eta vs tors. theta energy: -100.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1139.873101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.873101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.873101 (E_RNA) where: Base-Base interactions energy: -711.005 where: short stacking energy: -351.652 Base-Backbone interact. energy: -2.129 local terms energy: -426.738770 where: bonds (distance) C4'-P energy: -96.265 bonds (distance) P-C4' energy: -94.870 flat angles C4'-P-C4' energy: -89.201 flat angles P-C4'-P energy: -59.590 tors. eta vs tors. theta energy: -86.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -977.040776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.040776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.040776 (E_RNA) where: Base-Base interactions energy: -611.141 where: short stacking energy: -299.105 Base-Backbone interact. energy: -3.199 local terms energy: -362.700892 where: bonds (distance) C4'-P energy: -72.725 bonds (distance) P-C4' energy: -74.223 flat angles C4'-P-C4' energy: -102.065 flat angles P-C4'-P energy: -61.139 tors. eta vs tors. theta energy: -52.548 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: 84 Temperature: 1.150000 Total energy: -941.252127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.252127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.252127 (E_RNA) where: Base-Base interactions energy: -560.989 where: short stacking energy: -277.448 Base-Backbone interact. energy: -2.716 local terms energy: -377.547761 where: bonds (distance) C4'-P energy: -96.323 bonds (distance) P-C4' energy: -82.154 flat angles C4'-P-C4' energy: -87.717 flat angles P-C4'-P energy: -62.969 tors. eta vs tors. theta energy: -48.385 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: 7, replica: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -772.919595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.919595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.919595 (E_RNA) where: Base-Base interactions energy: -437.509 where: short stacking energy: -204.748 Base-Backbone interact. energy: -0.959 local terms energy: -334.451307 where: bonds (distance) C4'-P energy: -72.798 bonds (distance) P-C4' energy: -99.289 flat angles C4'-P-C4' energy: -86.218 flat angles P-C4'-P energy: -52.185 tors. eta vs tors. theta energy: -23.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -669.053794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.053794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.053794 (E_RNA) where: Base-Base interactions energy: -342.027 where: short stacking energy: -196.215 Base-Backbone interact. energy: 1.222 local terms energy: -328.248379 where: bonds (distance) C4'-P energy: -72.116 bonds (distance) P-C4' energy: -96.804 flat angles C4'-P-C4' energy: -88.607 flat angles P-C4'-P energy: -52.725 tors. eta vs tors. theta energy: -17.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -474.200107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.200107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.200107 (E_RNA) where: Base-Base interactions energy: -193.165 where: short stacking energy: -132.374 Base-Backbone interact. energy: 0.536 local terms energy: -281.571729 where: bonds (distance) C4'-P energy: -77.263 bonds (distance) P-C4' energy: -86.279 flat angles C4'-P-C4' energy: -82.916 flat angles P-C4'-P energy: -45.166 tors. eta vs tors. theta energy: 10.053 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: 10, replica: 1 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -426.069580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.069580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.069580 (E_RNA) where: Base-Base interactions energy: -177.545 where: short stacking energy: -119.689 Base-Backbone interact. energy: -1.499 local terms energy: -247.025898 where: bonds (distance) C4'-P energy: -87.610 bonds (distance) P-C4' energy: -89.278 flat angles C4'-P-C4' energy: -67.881 flat angles P-C4'-P energy: -17.850 tors. eta vs tors. theta energy: 15.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1501.187662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.187662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.187662 (E_RNA) where: Base-Base interactions energy: -993.203 where: short stacking energy: -438.412 Base-Backbone interact. energy: 1.084 local terms energy: -509.069323 where: bonds (distance) C4'-P energy: -101.315 bonds (distance) P-C4' energy: -94.058 flat angles C4'-P-C4' energy: -115.486 flat angles P-C4'-P energy: -72.557 tors. eta vs tors. theta energy: -125.654 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: 2, replica: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1437.162403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.162403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.162403 (E_RNA) where: Base-Base interactions energy: -936.271 where: short stacking energy: -443.226 Base-Backbone interact. energy: -3.744 local terms energy: -497.146552 where: bonds (distance) C4'-P energy: -91.003 bonds (distance) P-C4' energy: -96.156 flat angles C4'-P-C4' energy: -110.171 flat angles P-C4'-P energy: -68.622 tors. eta vs tors. theta energy: -131.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1269.825998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.825998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.825998 (E_RNA) where: Base-Base interactions energy: -830.571 where: short stacking energy: -367.780 Base-Backbone interact. energy: -2.336 local terms energy: -436.918883 where: bonds (distance) C4'-P energy: -86.039 bonds (distance) P-C4' energy: -103.379 flat angles C4'-P-C4' energy: -96.890 flat angles P-C4'-P energy: -60.855 tors. eta vs tors. theta energy: -89.755 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: 10 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1102.596479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.596479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.596479 (E_RNA) where: Base-Base interactions energy: -671.207 where: short stacking energy: -325.899 Base-Backbone interact. energy: 0.791 local terms energy: -432.180609 where: bonds (distance) C4'-P energy: -84.118 bonds (distance) P-C4' energy: -105.894 flat angles C4'-P-C4' energy: -110.222 flat angles P-C4'-P energy: -64.829 tors. eta vs tors. theta energy: -67.118 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: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -980.182201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.182201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.182201 (E_RNA) where: Base-Base interactions energy: -590.345 where: short stacking energy: -272.642 Base-Backbone interact. energy: 1.018 local terms energy: -390.854603 where: bonds (distance) C4'-P energy: -85.292 bonds (distance) P-C4' energy: -77.984 flat angles C4'-P-C4' energy: -101.925 flat angles P-C4'-P energy: -65.619 tors. eta vs tors. theta energy: -60.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -936.908896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.908896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.908896 (E_RNA) where: Base-Base interactions energy: -555.912 where: short stacking energy: -279.906 Base-Backbone interact. energy: -0.398 local terms energy: -380.599551 where: bonds (distance) C4'-P energy: -78.838 bonds (distance) P-C4' energy: -77.975 flat angles C4'-P-C4' energy: -106.523 flat angles P-C4'-P energy: -57.718 tors. eta vs tors. theta energy: -59.546 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: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -759.658856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.658856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.658856 (E_RNA) where: Base-Base interactions energy: -452.023 where: short stacking energy: -217.668 Base-Backbone interact. energy: -0.958 local terms energy: -306.677408 where: bonds (distance) C4'-P energy: -78.209 bonds (distance) P-C4' energy: -74.315 flat angles C4'-P-C4' energy: -82.573 flat angles P-C4'-P energy: -54.177 tors. eta vs tors. theta energy: -17.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -649.896780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.896780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.896780 (E_RNA) where: Base-Base interactions energy: -356.508 where: short stacking energy: -196.846 Base-Backbone interact. energy: 3.220 local terms energy: -296.608324 where: bonds (distance) C4'-P energy: -81.096 bonds (distance) P-C4' energy: -69.338 flat angles C4'-P-C4' energy: -79.954 flat angles P-C4'-P energy: -41.035 tors. eta vs tors. theta energy: -25.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -456.585988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.585988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.585988 (E_RNA) where: Base-Base interactions energy: -176.900 where: short stacking energy: -128.738 Base-Backbone interact. energy: 0.092 local terms energy: -279.778500 where: bonds (distance) C4'-P energy: -84.295 bonds (distance) P-C4' energy: -80.992 flat angles C4'-P-C4' energy: -80.485 flat angles P-C4'-P energy: -30.473 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -426.999543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.999543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.999543 (E_RNA) where: Base-Base interactions energy: -157.641 where: short stacking energy: -113.702 Base-Backbone interact. energy: -0.629 local terms energy: -268.729235 where: bonds (distance) C4'-P energy: -72.526 bonds (distance) P-C4' energy: -83.911 flat angles C4'-P-C4' energy: -76.341 flat angles P-C4'-P energy: -51.739 tors. eta vs tors. theta energy: 15.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1540.259132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.259132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.259132 (E_RNA) where: Base-Base interactions energy: -1028.824 where: short stacking energy: -427.380 Base-Backbone interact. energy: -5.871 local terms energy: -505.563581 where: bonds (distance) C4'-P energy: -106.908 bonds (distance) P-C4' energy: -99.641 flat angles C4'-P-C4' energy: -111.789 flat angles P-C4'-P energy: -67.747 tors. eta vs tors. theta energy: -119.479 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: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1434.324625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.324625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.324625 (E_RNA) where: Base-Base interactions energy: -921.529 where: short stacking energy: -433.921 Base-Backbone interact. energy: -4.230 local terms energy: -508.565445 where: bonds (distance) C4'-P energy: -106.596 bonds (distance) P-C4' energy: -99.188 flat angles C4'-P-C4' energy: -104.392 flat angles P-C4'-P energy: -72.084 tors. eta vs tors. theta energy: -126.305 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: 2 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1295.295441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.295441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.295441 (E_RNA) where: Base-Base interactions energy: -826.206 where: short stacking energy: -386.524 Base-Backbone interact. energy: -3.562 local terms energy: -465.527377 where: bonds (distance) C4'-P energy: -86.884 bonds (distance) P-C4' energy: -95.594 flat angles C4'-P-C4' energy: -99.671 flat angles P-C4'-P energy: -82.984 tors. eta vs tors. theta energy: -100.395 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: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1114.630403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.630403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.630403 (E_RNA) where: Base-Base interactions energy: -681.390 where: short stacking energy: -336.225 Base-Backbone interact. energy: 2.411 local terms energy: -435.651318 where: bonds (distance) C4'-P energy: -100.209 bonds (distance) P-C4' energy: -94.029 flat angles C4'-P-C4' energy: -93.413 flat angles P-C4'-P energy: -57.047 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: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1015.927381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.927381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.927381 (E_RNA) where: Base-Base interactions energy: -626.004 where: short stacking energy: -302.926 Base-Backbone interact. energy: 0.314 local terms energy: -390.238303 where: bonds (distance) C4'-P energy: -79.339 bonds (distance) P-C4' energy: -85.437 flat angles C4'-P-C4' energy: -94.632 flat angles P-C4'-P energy: -56.349 tors. eta vs tors. theta energy: -74.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -905.440140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.440140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.440140 (E_RNA) where: Base-Base interactions energy: -539.063 where: short stacking energy: -279.602 Base-Backbone interact. energy: -1.369 local terms energy: -365.007738 where: bonds (distance) C4'-P energy: -72.491 bonds (distance) P-C4' energy: -99.808 flat angles C4'-P-C4' energy: -72.561 flat angles P-C4'-P energy: -64.850 tors. eta vs tors. theta energy: -55.298 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: 7, replica: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -707.724394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.724394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.724394 (E_RNA) where: Base-Base interactions energy: -407.328 where: short stacking energy: -220.195 Base-Backbone interact. energy: 1.322 local terms energy: -301.718014 where: bonds (distance) C4'-P energy: -74.731 bonds (distance) P-C4' energy: -90.040 flat angles C4'-P-C4' energy: -68.781 flat angles P-C4'-P energy: -40.154 tors. eta vs tors. theta energy: -28.012 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: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -587.157411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.157411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.157411 (E_RNA) where: Base-Base interactions energy: -282.351 where: short stacking energy: -178.431 Base-Backbone interact. energy: 0.685 local terms energy: -305.491787 where: bonds (distance) C4'-P energy: -77.970 bonds (distance) P-C4' energy: -62.846 flat angles C4'-P-C4' energy: -88.127 flat angles P-C4'-P energy: -51.477 tors. eta vs tors. theta energy: -25.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -476.904089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.904089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.904089 (E_RNA) where: Base-Base interactions energy: -205.282 where: short stacking energy: -142.999 Base-Backbone interact. energy: -1.422 local terms energy: -270.199406 where: bonds (distance) C4'-P energy: -75.695 bonds (distance) P-C4' energy: -80.232 flat angles C4'-P-C4' energy: -71.815 flat angles P-C4'-P energy: -44.892 tors. eta vs tors. theta energy: 2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -467.569759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.569759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.569759 (E_RNA) where: Base-Base interactions energy: -191.538 where: short stacking energy: -117.432 Base-Backbone interact. energy: 2.634 local terms energy: -278.665394 where: bonds (distance) C4'-P energy: -75.425 bonds (distance) P-C4' energy: -78.987 flat angles C4'-P-C4' energy: -78.329 flat angles P-C4'-P energy: -43.246 tors. eta vs tors. theta energy: -2.678 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: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1527.872805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.872805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.872805 (E_RNA) where: Base-Base interactions energy: -1029.843 where: short stacking energy: -451.435 Base-Backbone interact. energy: -3.382 local terms energy: -494.648631 where: bonds (distance) C4'-P energy: -86.371 bonds (distance) P-C4' energy: -101.905 flat angles C4'-P-C4' energy: -110.267 flat angles P-C4'-P energy: -70.439 tors. eta vs tors. theta energy: -125.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1401.565815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.565815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.565815 (E_RNA) where: Base-Base interactions energy: -907.189 where: short stacking energy: -416.592 Base-Backbone interact. energy: -2.207 local terms energy: -492.170094 where: bonds (distance) C4'-P energy: -90.783 bonds (distance) P-C4' energy: -98.222 flat angles C4'-P-C4' energy: -111.631 flat angles P-C4'-P energy: -60.896 tors. eta vs tors. theta energy: -130.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1253.685306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.685306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.685306 (E_RNA) where: Base-Base interactions energy: -836.924 where: short stacking energy: -386.686 Base-Backbone interact. energy: -1.438 local terms energy: -415.323796 where: bonds (distance) C4'-P energy: -97.034 bonds (distance) P-C4' energy: -91.644 flat angles C4'-P-C4' energy: -96.229 flat angles P-C4'-P energy: -43.748 tors. eta vs tors. theta energy: -86.670 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: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1136.478755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.478755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.478755 (E_RNA) where: Base-Base interactions energy: -706.814 where: short stacking energy: -361.708 Base-Backbone interact. energy: -3.765 local terms energy: -425.900492 where: bonds (distance) C4'-P energy: -86.313 bonds (distance) P-C4' energy: -89.302 flat angles C4'-P-C4' energy: -87.686 flat angles P-C4'-P energy: -65.879 tors. eta vs tors. theta energy: -96.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -987.678137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.678137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.678137 (E_RNA) where: Base-Base interactions energy: -619.674 where: short stacking energy: -320.759 Base-Backbone interact. energy: 3.034 local terms energy: -371.038745 where: bonds (distance) C4'-P energy: -67.235 bonds (distance) P-C4' energy: -94.079 flat angles C4'-P-C4' energy: -85.126 flat angles P-C4'-P energy: -55.167 tors. eta vs tors. theta energy: -69.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -914.575891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.575891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.575891 (E_RNA) where: Base-Base interactions energy: -539.547 where: short stacking energy: -273.252 Base-Backbone interact. energy: -1.527 local terms energy: -373.502199 where: bonds (distance) C4'-P energy: -83.357 bonds (distance) P-C4' energy: -82.352 flat angles C4'-P-C4' energy: -91.909 flat angles P-C4'-P energy: -56.206 tors. eta vs tors. theta energy: -59.678 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: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -752.427221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.427221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.427221 (E_RNA) where: Base-Base interactions energy: -420.518 where: short stacking energy: -239.137 Base-Backbone interact. energy: -2.478 local terms energy: -329.430928 where: bonds (distance) C4'-P energy: -83.129 bonds (distance) P-C4' energy: -93.738 flat angles C4'-P-C4' energy: -69.017 flat angles P-C4'-P energy: -47.924 tors. eta vs tors. theta energy: -35.623 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: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -591.502312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.502312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.502312 (E_RNA) where: Base-Base interactions energy: -303.321 where: short stacking energy: -186.472 Base-Backbone interact. energy: 1.321 local terms energy: -289.502596 where: bonds (distance) C4'-P energy: -70.344 bonds (distance) P-C4' energy: -96.545 flat angles C4'-P-C4' energy: -68.003 flat angles P-C4'-P energy: -24.141 tors. eta vs tors. theta energy: -30.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -523.336454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.336454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.336454 (E_RNA) where: Base-Base interactions energy: -261.579 where: short stacking energy: -154.920 Base-Backbone interact. energy: 0.203 local terms energy: -261.960932 where: bonds (distance) C4'-P energy: -69.193 bonds (distance) P-C4' energy: -81.034 flat angles C4'-P-C4' energy: -73.236 flat angles P-C4'-P energy: -39.768 tors. eta vs tors. theta energy: 1.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -436.619277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.619277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.619277 (E_RNA) where: Base-Base interactions energy: -176.535 where: short stacking energy: -111.428 Base-Backbone interact. energy: -2.866 local terms energy: -257.217676 where: bonds (distance) C4'-P energy: -74.602 bonds (distance) P-C4' energy: -89.649 flat angles C4'-P-C4' energy: -66.384 flat angles P-C4'-P energy: -34.544 tors. eta vs tors. theta energy: 7.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1558.597040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.597040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.597040 (E_RNA) where: Base-Base interactions energy: -1044.779 where: short stacking energy: -455.252 Base-Backbone interact. energy: -6.685 local terms energy: -507.132740 where: bonds (distance) C4'-P energy: -98.034 bonds (distance) P-C4' energy: -95.505 flat angles C4'-P-C4' energy: -101.381 flat angles P-C4'-P energy: -74.014 tors. eta vs tors. theta energy: -138.199 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: 4 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1395.110714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.110714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.110714 (E_RNA) where: Base-Base interactions energy: -918.897 where: short stacking energy: -455.010 Base-Backbone interact. energy: -2.379 local terms energy: -473.835263 where: bonds (distance) C4'-P energy: -103.847 bonds (distance) P-C4' energy: -92.115 flat angles C4'-P-C4' energy: -95.599 flat angles P-C4'-P energy: -59.617 tors. eta vs tors. theta energy: -122.658 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: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1268.453675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.453675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.453675 (E_RNA) where: Base-Base interactions energy: -817.651 where: short stacking energy: -373.150 Base-Backbone interact. energy: -0.539 local terms energy: -450.263461 where: bonds (distance) C4'-P energy: -89.781 bonds (distance) P-C4' energy: -91.320 flat angles C4'-P-C4' energy: -93.644 flat angles P-C4'-P energy: -68.377 tors. eta vs tors. theta energy: -107.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1132.407287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.407287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.407287 (E_RNA) where: Base-Base interactions energy: -704.508 where: short stacking energy: -340.186 Base-Backbone interact. energy: -2.437 local terms energy: -425.462189 where: bonds (distance) C4'-P energy: -92.316 bonds (distance) P-C4' energy: -87.901 flat angles C4'-P-C4' energy: -101.084 flat angles P-C4'-P energy: -46.836 tors. eta vs tors. theta energy: -97.325 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: 88 Temperature: 1.100000 Total energy: -931.041335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.041335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.041335 (E_RNA) where: Base-Base interactions energy: -561.647 where: short stacking energy: -271.235 Base-Backbone interact. energy: -0.729 local terms energy: -368.666149 where: bonds (distance) C4'-P energy: -83.562 bonds (distance) P-C4' energy: -87.844 flat angles C4'-P-C4' energy: -83.162 flat angles P-C4'-P energy: -54.799 tors. eta vs tors. theta energy: -59.300 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: 88 Temperature: 1.150000 Total energy: -985.331312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.331312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.331312 (E_RNA) where: Base-Base interactions energy: -609.416 where: short stacking energy: -302.892 Base-Backbone interact. energy: -0.433 local terms energy: -375.482141 where: bonds (distance) C4'-P energy: -92.430 bonds (distance) P-C4' energy: -84.933 flat angles C4'-P-C4' energy: -83.919 flat angles P-C4'-P energy: -50.653 tors. eta vs tors. theta energy: -63.546 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: 7 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -742.119937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.119937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.119937 (E_RNA) where: Base-Base interactions energy: -412.815 where: short stacking energy: -235.323 Base-Backbone interact. energy: 1.782 local terms energy: -331.086912 where: bonds (distance) C4'-P energy: -70.956 bonds (distance) P-C4' energy: -84.139 flat angles C4'-P-C4' energy: -68.969 flat angles P-C4'-P energy: -60.000 tors. eta vs tors. theta energy: -47.023 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: 9 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -607.127253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.127253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.127253 (E_RNA) where: Base-Base interactions energy: -305.333 where: short stacking energy: -158.944 Base-Backbone interact. energy: -1.365 local terms energy: -300.429144 where: bonds (distance) C4'-P energy: -79.924 bonds (distance) P-C4' energy: -80.682 flat angles C4'-P-C4' energy: -96.431 flat angles P-C4'-P energy: -38.121 tors. eta vs tors. theta energy: -5.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -555.478719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.478719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.478719 (E_RNA) where: Base-Base interactions energy: -288.280 where: short stacking energy: -182.117 Base-Backbone interact. energy: -0.474 local terms energy: -266.725427 where: bonds (distance) C4'-P energy: -69.115 bonds (distance) P-C4' energy: -69.458 flat angles C4'-P-C4' energy: -84.288 flat angles P-C4'-P energy: -34.025 tors. eta vs tors. theta energy: -9.839 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: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -443.323327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.323327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.323327 (E_RNA) where: Base-Base interactions energy: -203.910 where: short stacking energy: -146.586 Base-Backbone interact. energy: 0.636 local terms energy: -240.049171 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -74.294 flat angles C4'-P-C4' energy: -63.609 flat angles P-C4'-P energy: -38.810 tors. eta vs tors. theta energy: 1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1561.855481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.855481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.855481 (E_RNA) where: Base-Base interactions energy: -1066.935 where: short stacking energy: -452.347 Base-Backbone interact. energy: -4.554 local terms energy: -490.366082 where: bonds (distance) C4'-P energy: -92.946 bonds (distance) P-C4' energy: -93.696 flat angles C4'-P-C4' energy: -94.504 flat angles P-C4'-P energy: -73.932 tors. eta vs tors. theta energy: -135.288 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: 2, replica: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1358.953849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.953849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.953849 (E_RNA) where: Base-Base interactions energy: -864.722 where: short stacking energy: -409.124 Base-Backbone interact. energy: -2.296 local terms energy: -491.935597 where: bonds (distance) C4'-P energy: -99.333 bonds (distance) P-C4' energy: -99.742 flat angles C4'-P-C4' energy: -103.823 flat angles P-C4'-P energy: -64.049 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: 3, replica: 2 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1282.576298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.576298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.576298 (E_RNA) where: Base-Base interactions energy: -836.156 where: short stacking energy: -387.505 Base-Backbone interact. energy: -0.564 local terms energy: -445.855925 where: bonds (distance) C4'-P energy: -85.269 bonds (distance) P-C4' energy: -94.079 flat angles C4'-P-C4' energy: -103.848 flat angles P-C4'-P energy: -63.303 tors. eta vs tors. theta energy: -99.358 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: 10 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1078.919234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.919234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.919234 (E_RNA) where: Base-Base interactions energy: -636.915 where: short stacking energy: -319.950 Base-Backbone interact. energy: 2.300 local terms energy: -444.304125 where: bonds (distance) C4'-P energy: -94.254 bonds (distance) P-C4' energy: -96.585 flat angles C4'-P-C4' energy: -98.215 flat angles P-C4'-P energy: -64.582 tors. eta vs tors. theta energy: -90.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -922.842769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.842769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.842769 (E_RNA) where: Base-Base interactions energy: -551.836 where: short stacking energy: -301.221 Base-Backbone interact. energy: -1.055 local terms energy: -369.952113 where: bonds (distance) C4'-P energy: -84.927 bonds (distance) P-C4' energy: -93.881 flat angles C4'-P-C4' energy: -90.525 flat angles P-C4'-P energy: -43.527 tors. eta vs tors. theta energy: -57.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -949.169855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.169855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.169855 (E_RNA) where: Base-Base interactions energy: -579.874 where: short stacking energy: -261.985 Base-Backbone interact. energy: -1.384 local terms energy: -367.911966 where: bonds (distance) C4'-P energy: -101.816 bonds (distance) P-C4' energy: -95.273 flat angles C4'-P-C4' energy: -80.617 flat angles P-C4'-P energy: -44.041 tors. eta vs tors. theta energy: -46.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -730.204629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.204629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.204629 (E_RNA) where: Base-Base interactions energy: -418.198 where: short stacking energy: -183.731 Base-Backbone interact. energy: 2.751 local terms energy: -314.757958 where: bonds (distance) C4'-P energy: -62.337 bonds (distance) P-C4' energy: -100.695 flat angles C4'-P-C4' energy: -75.799 flat angles P-C4'-P energy: -46.697 tors. eta vs tors. theta energy: -29.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -591.643966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.643966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.643966 (E_RNA) where: Base-Base interactions energy: -305.092 where: short stacking energy: -170.220 Base-Backbone interact. energy: -0.736 local terms energy: -285.816562 where: bonds (distance) C4'-P energy: -66.449 bonds (distance) P-C4' energy: -92.428 flat angles C4'-P-C4' energy: -80.377 flat angles P-C4'-P energy: -42.791 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -547.409584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.409584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.409584 (E_RNA) where: Base-Base interactions energy: -267.097 where: short stacking energy: -138.463 Base-Backbone interact. energy: -1.596 local terms energy: -278.716117 where: bonds (distance) C4'-P energy: -80.478 bonds (distance) P-C4' energy: -78.775 flat angles C4'-P-C4' energy: -77.024 flat angles P-C4'-P energy: -41.572 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -422.431855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.431855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.431855 (E_RNA) where: Base-Base interactions energy: -177.279 where: short stacking energy: -124.229 Base-Backbone interact. energy: -3.048 local terms energy: -242.104657 where: bonds (distance) C4'-P energy: -69.031 bonds (distance) P-C4' energy: -85.353 flat angles C4'-P-C4' energy: -77.372 flat angles P-C4'-P energy: -25.388 tors. eta vs tors. theta energy: 15.038 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: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1542.854680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.854680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.854680 (E_RNA) where: Base-Base interactions energy: -1045.485 where: short stacking energy: -451.208 Base-Backbone interact. energy: -5.948 local terms energy: -491.421243 where: bonds (distance) C4'-P energy: -108.774 bonds (distance) P-C4' energy: -77.712 flat angles C4'-P-C4' energy: -99.027 flat angles P-C4'-P energy: -71.639 tors. eta vs tors. theta energy: -134.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1388.978303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.978303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.978303 (E_RNA) where: Base-Base interactions energy: -898.977 where: short stacking energy: -426.377 Base-Backbone interact. energy: -0.680 local terms energy: -489.320764 where: bonds (distance) C4'-P energy: -91.730 bonds (distance) P-C4' energy: -99.526 flat angles C4'-P-C4' energy: -90.729 flat angles P-C4'-P energy: -76.230 tors. eta vs tors. theta energy: -131.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1263.977940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.977940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.977940 (E_RNA) where: Base-Base interactions energy: -819.095 where: short stacking energy: -359.740 Base-Backbone interact. energy: -1.603 local terms energy: -443.280221 where: bonds (distance) C4'-P energy: -84.082 bonds (distance) P-C4' energy: -88.444 flat angles C4'-P-C4' energy: -105.349 flat angles P-C4'-P energy: -72.932 tors. eta vs tors. theta energy: -92.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1114.849424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.849424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.849424 (E_RNA) where: Base-Base interactions energy: -677.499 where: short stacking energy: -337.380 Base-Backbone interact. energy: -0.757 local terms energy: -436.592585 where: bonds (distance) C4'-P energy: -83.678 bonds (distance) P-C4' energy: -105.291 flat angles C4'-P-C4' energy: -92.378 flat angles P-C4'-P energy: -62.375 tors. eta vs tors. theta energy: -92.871 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: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -971.372043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.372043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.372043 (E_RNA) where: Base-Base interactions energy: -599.894 where: short stacking energy: -275.112 Base-Backbone interact. energy: -0.784 local terms energy: -370.693825 where: bonds (distance) C4'-P energy: -87.175 bonds (distance) P-C4' energy: -88.357 flat angles C4'-P-C4' energy: -94.677 flat angles P-C4'-P energy: -33.590 tors. eta vs tors. theta energy: -66.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -893.695077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.695077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.695077 (E_RNA) where: Base-Base interactions energy: -549.693 where: short stacking energy: -295.856 Base-Backbone interact. energy: 10.101 local terms energy: -354.103352 where: bonds (distance) C4'-P energy: -84.613 bonds (distance) P-C4' energy: -80.796 flat angles C4'-P-C4' energy: -91.469 flat angles P-C4'-P energy: -47.092 tors. eta vs tors. theta energy: -50.134 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: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -775.971049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.971049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.971049 (E_RNA) where: Base-Base interactions energy: -432.806 where: short stacking energy: -235.900 Base-Backbone interact. energy: 0.675 local terms energy: -343.840336 where: bonds (distance) C4'-P energy: -81.156 bonds (distance) P-C4' energy: -89.234 flat angles C4'-P-C4' energy: -90.458 flat angles P-C4'-P energy: -47.959 tors. eta vs tors. theta energy: -35.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -606.079581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.079581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.079581 (E_RNA) where: Base-Base interactions energy: -310.924 where: short stacking energy: -166.754 Base-Backbone interact. energy: -0.676 local terms energy: -294.479195 where: bonds (distance) C4'-P energy: -62.614 bonds (distance) P-C4' energy: -87.966 flat angles C4'-P-C4' energy: -73.919 flat angles P-C4'-P energy: -57.530 tors. eta vs tors. theta energy: -12.451 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: 9, replica: 5 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -547.025495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.025495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.025495 (E_RNA) where: Base-Base interactions energy: -265.268 where: short stacking energy: -157.458 Base-Backbone interact. energy: -1.465 local terms energy: -280.292367 where: bonds (distance) C4'-P energy: -84.630 bonds (distance) P-C4' energy: -88.577 flat angles C4'-P-C4' energy: -53.814 flat angles P-C4'-P energy: -53.272 tors. eta vs tors. theta energy: 0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -456.566715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.566715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.566715 (E_RNA) where: Base-Base interactions energy: -210.019 where: short stacking energy: -131.750 Base-Backbone interact. energy: -2.221 local terms energy: -244.326085 where: bonds (distance) C4'-P energy: -66.605 bonds (distance) P-C4' energy: -82.606 flat angles C4'-P-C4' energy: -64.623 flat angles P-C4'-P energy: -36.922 tors. eta vs tors. theta energy: 6.430 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: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1555.310186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.310186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.310186 (E_RNA) where: Base-Base interactions energy: -1049.195 where: short stacking energy: -435.641 Base-Backbone interact. energy: -5.838 local terms energy: -500.276708 where: bonds (distance) C4'-P energy: -97.288 bonds (distance) P-C4' energy: -95.223 flat angles C4'-P-C4' energy: -101.749 flat angles P-C4'-P energy: -77.683 tors. eta vs tors. theta energy: -128.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1379.575073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.575073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.575073 (E_RNA) where: Base-Base interactions energy: -900.620 where: short stacking energy: -437.901 Base-Backbone interact. energy: 0.125 local terms energy: -479.080221 where: bonds (distance) C4'-P energy: -84.856 bonds (distance) P-C4' energy: -86.644 flat angles C4'-P-C4' energy: -111.171 flat angles P-C4'-P energy: -72.276 tors. eta vs tors. theta energy: -124.134 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: 2 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1275.130526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.130526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.130526 (E_RNA) where: Base-Base interactions energy: -826.221 where: short stacking energy: -377.407 Base-Backbone interact. energy: -1.606 local terms energy: -447.303580 where: bonds (distance) C4'-P energy: -87.961 bonds (distance) P-C4' energy: -90.948 flat angles C4'-P-C4' energy: -102.031 flat angles P-C4'-P energy: -64.070 tors. eta vs tors. theta energy: -102.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1122.173417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.173417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.173417 (E_RNA) where: Base-Base interactions energy: -709.401 where: short stacking energy: -335.333 Base-Backbone interact. energy: -0.458 local terms energy: -412.314690 where: bonds (distance) C4'-P energy: -84.033 bonds (distance) P-C4' energy: -91.763 flat angles C4'-P-C4' energy: -84.184 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -85.346 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: 5, replica: 6 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -976.703613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.703613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.703613 (E_RNA) where: Base-Base interactions energy: -606.242 where: short stacking energy: -298.687 Base-Backbone interact. energy: -1.979 local terms energy: -368.482373 where: bonds (distance) C4'-P energy: -84.722 bonds (distance) P-C4' energy: -84.378 flat angles C4'-P-C4' energy: -82.395 flat angles P-C4'-P energy: -53.183 tors. eta vs tors. theta energy: -63.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -893.663560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.663560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.663560 (E_RNA) where: Base-Base interactions energy: -518.993 where: short stacking energy: -268.770 Base-Backbone interact. energy: -2.164 local terms energy: -372.506377 where: bonds (distance) C4'-P energy: -70.040 bonds (distance) P-C4' energy: -85.850 flat angles C4'-P-C4' energy: -93.455 flat angles P-C4'-P energy: -68.771 tors. eta vs tors. theta energy: -54.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -760.775039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.775039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.775039 (E_RNA) where: Base-Base interactions energy: -424.545 where: short stacking energy: -222.783 Base-Backbone interact. energy: -0.227 local terms energy: -336.003220 where: bonds (distance) C4'-P energy: -80.991 bonds (distance) P-C4' energy: -88.923 flat angles C4'-P-C4' energy: -76.795 flat angles P-C4'-P energy: -53.227 tors. eta vs tors. theta energy: -36.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -621.058611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.058611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.058611 (E_RNA) where: Base-Base interactions energy: -303.559 where: short stacking energy: -183.123 Base-Backbone interact. energy: -0.063 local terms energy: -317.436573 where: bonds (distance) C4'-P energy: -74.320 bonds (distance) P-C4' energy: -88.181 flat angles C4'-P-C4' energy: -86.811 flat angles P-C4'-P energy: -40.062 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: 9, replica: 5 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -518.808684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.808684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.808684 (E_RNA) where: Base-Base interactions energy: -244.252 where: short stacking energy: -159.914 Base-Backbone interact. energy: 3.609 local terms energy: -278.166175 where: bonds (distance) C4'-P energy: -92.267 bonds (distance) P-C4' energy: -89.418 flat angles C4'-P-C4' energy: -65.533 flat angles P-C4'-P energy: -26.930 tors. eta vs tors. theta energy: -4.018 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: 1 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -453.154472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.154472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.154472 (E_RNA) where: Base-Base interactions energy: -192.322 where: short stacking energy: -132.403 Base-Backbone interact. energy: 2.625 local terms energy: -263.456728 where: bonds (distance) C4'-P energy: -79.504 bonds (distance) P-C4' energy: -72.854 flat angles C4'-P-C4' energy: -66.709 flat angles P-C4'-P energy: -46.363 tors. eta vs tors. theta energy: 1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1540.633925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.633925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.633925 (E_RNA) where: Base-Base interactions energy: -1035.789 where: short stacking energy: -458.894 Base-Backbone interact. energy: -0.878 local terms energy: -503.966029 where: bonds (distance) C4'-P energy: -91.710 bonds (distance) P-C4' energy: -100.083 flat angles C4'-P-C4' energy: -111.083 flat angles P-C4'-P energy: -68.046 tors. eta vs tors. theta energy: -133.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1402.476116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.476116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.476116 (E_RNA) where: Base-Base interactions energy: -896.540 where: short stacking energy: -426.772 Base-Backbone interact. energy: -2.252 local terms energy: -503.684223 where: bonds (distance) C4'-P energy: -96.273 bonds (distance) P-C4' energy: -98.740 flat angles C4'-P-C4' energy: -104.190 flat angles P-C4'-P energy: -78.547 tors. eta vs tors. theta energy: -125.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1282.032964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.032964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.032964 (E_RNA) where: Base-Base interactions energy: -838.202 where: short stacking energy: -385.765 Base-Backbone interact. energy: -0.157 local terms energy: -443.673804 where: bonds (distance) C4'-P energy: -64.309 bonds (distance) P-C4' energy: -95.879 flat angles C4'-P-C4' energy: -106.288 flat angles P-C4'-P energy: -76.495 tors. eta vs tors. theta energy: -100.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1141.119737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.119737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.119737 (E_RNA) where: Base-Base interactions energy: -700.623 where: short stacking energy: -364.159 Base-Backbone interact. energy: -0.888 local terms energy: -439.608136 where: bonds (distance) C4'-P energy: -88.766 bonds (distance) P-C4' energy: -89.898 flat angles C4'-P-C4' energy: -103.221 flat angles P-C4'-P energy: -62.898 tors. eta vs tors. theta energy: -94.825 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: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -995.564021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.564021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.564021 (E_RNA) where: Base-Base interactions energy: -606.525 where: short stacking energy: -293.456 Base-Backbone interact. energy: 3.357 local terms energy: -392.396564 where: bonds (distance) C4'-P energy: -92.429 bonds (distance) P-C4' energy: -88.194 flat angles C4'-P-C4' energy: -90.239 flat angles P-C4'-P energy: -57.171 tors. eta vs tors. theta energy: -64.363 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: 3 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -839.150788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.150788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.150788 (E_RNA) where: Base-Base interactions energy: -490.156 where: short stacking energy: -240.483 Base-Backbone interact. energy: 2.031 local terms energy: -351.025582 where: bonds (distance) C4'-P energy: -89.778 bonds (distance) P-C4' energy: -77.297 flat angles C4'-P-C4' energy: -92.889 flat angles P-C4'-P energy: -61.336 tors. eta vs tors. theta energy: -29.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -773.102468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.102468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.102468 (E_RNA) where: Base-Base interactions energy: -463.827 where: short stacking energy: -240.446 Base-Backbone interact. energy: -1.293 local terms energy: -307.982699 where: bonds (distance) C4'-P energy: -68.390 bonds (distance) P-C4' energy: -86.087 flat angles C4'-P-C4' energy: -78.929 flat angles P-C4'-P energy: -43.210 tors. eta vs tors. theta energy: -31.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -594.156253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.156253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.156253 (E_RNA) where: Base-Base interactions energy: -286.329 where: short stacking energy: -164.242 Base-Backbone interact. energy: 2.087 local terms energy: -309.914143 where: bonds (distance) C4'-P energy: -84.439 bonds (distance) P-C4' energy: -85.155 flat angles C4'-P-C4' energy: -85.381 flat angles P-C4'-P energy: -45.331 tors. eta vs tors. theta energy: -9.608 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: 1 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -502.383058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.383058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.383058 (E_RNA) where: Base-Base interactions energy: -222.230 where: short stacking energy: -152.952 Base-Backbone interact. energy: 1.774 local terms energy: -281.927438 where: bonds (distance) C4'-P energy: -79.525 bonds (distance) P-C4' energy: -88.150 flat angles C4'-P-C4' energy: -64.811 flat angles P-C4'-P energy: -47.831 tors. eta vs tors. theta energy: -1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -479.077892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.077892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.077892 (E_RNA) where: Base-Base interactions energy: -209.925 where: short stacking energy: -117.663 Base-Backbone interact. energy: 5.260 local terms energy: -274.412962 where: bonds (distance) C4'-P energy: -72.845 bonds (distance) P-C4' energy: -90.183 flat angles C4'-P-C4' energy: -76.606 flat angles P-C4'-P energy: -43.716 tors. eta vs tors. theta energy: 8.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1558.497674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.497674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.497674 (E_RNA) where: Base-Base interactions energy: -1052.976 where: short stacking energy: -464.259 Base-Backbone interact. energy: 3.701 local terms energy: -509.223358 where: bonds (distance) C4'-P energy: -103.174 bonds (distance) P-C4' energy: -88.220 flat angles C4'-P-C4' energy: -105.913 flat angles P-C4'-P energy: -75.393 tors. eta vs tors. theta energy: -136.524 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: 4 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1392.150624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.150624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.150624 (E_RNA) where: Base-Base interactions energy: -924.911 where: short stacking energy: -436.932 Base-Backbone interact. energy: -1.417 local terms energy: -465.822420 where: bonds (distance) C4'-P energy: -79.479 bonds (distance) P-C4' energy: -87.187 flat angles C4'-P-C4' energy: -102.814 flat angles P-C4'-P energy: -67.793 tors. eta vs tors. theta energy: -128.550 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: 93 Temperature: 1.000000 Total energy: -1242.233146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.233146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.233146 (E_RNA) where: Base-Base interactions energy: -806.228 where: short stacking energy: -366.922 Base-Backbone interact. energy: -3.980 local terms energy: -432.024904 where: bonds (distance) C4'-P energy: -84.524 bonds (distance) P-C4' energy: -95.836 flat angles C4'-P-C4' energy: -96.549 flat angles P-C4'-P energy: -67.792 tors. eta vs tors. theta energy: -87.324 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: 10 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1126.439712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.439712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.439712 (E_RNA) where: Base-Base interactions energy: -700.127 where: short stacking energy: -360.816 Base-Backbone interact. energy: -1.401 local terms energy: -424.912128 where: bonds (distance) C4'-P energy: -89.342 bonds (distance) P-C4' energy: -73.681 flat angles C4'-P-C4' energy: -97.618 flat angles P-C4'-P energy: -63.212 tors. eta vs tors. theta energy: -101.058 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: 93 Temperature: 1.100000 Total energy: -1040.166363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.166363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.166363 (E_RNA) where: Base-Base interactions energy: -627.217 where: short stacking energy: -320.816 Base-Backbone interact. energy: -1.261 local terms energy: -411.688233 where: bonds (distance) C4'-P energy: -88.445 bonds (distance) P-C4' energy: -83.172 flat angles C4'-P-C4' energy: -90.568 flat angles P-C4'-P energy: -64.280 tors. eta vs tors. theta energy: -85.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -882.493300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.493300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.493300 (E_RNA) where: Base-Base interactions energy: -491.340 where: short stacking energy: -274.287 Base-Backbone interact. energy: -0.757 local terms energy: -390.396382 where: bonds (distance) C4'-P energy: -93.027 bonds (distance) P-C4' energy: -88.554 flat angles C4'-P-C4' energy: -85.189 flat angles P-C4'-P energy: -64.563 tors. eta vs tors. theta energy: -59.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -778.483752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.483752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.483752 (E_RNA) where: Base-Base interactions energy: -470.774 where: short stacking energy: -234.095 Base-Backbone interact. energy: 3.538 local terms energy: -311.247363 where: bonds (distance) C4'-P energy: -75.729 bonds (distance) P-C4' energy: -85.613 flat angles C4'-P-C4' energy: -87.032 flat angles P-C4'-P energy: -32.319 tors. eta vs tors. theta energy: -30.554 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: 93 Temperature: 1.250000 Total energy: -602.095597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.095597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.095597 (E_RNA) where: Base-Base interactions energy: -312.645 where: short stacking energy: -174.920 Base-Backbone interact. energy: 1.893 local terms energy: -291.343920 where: bonds (distance) C4'-P energy: -78.536 bonds (distance) P-C4' energy: -80.441 flat angles C4'-P-C4' energy: -86.073 flat angles P-C4'-P energy: -37.304 tors. eta vs tors. theta energy: -8.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -465.519925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.519925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.519925 (E_RNA) where: Base-Base interactions energy: -184.424 where: short stacking energy: -125.663 Base-Backbone interact. energy: -2.924 local terms energy: -278.171839 where: bonds (distance) C4'-P energy: -84.643 bonds (distance) P-C4' energy: -85.019 flat angles C4'-P-C4' energy: -81.485 flat angles P-C4'-P energy: -27.175 tors. eta vs tors. theta energy: 0.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -434.644328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.644328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.644328 (E_RNA) where: Base-Base interactions energy: -195.395 where: short stacking energy: -116.857 Base-Backbone interact. energy: 1.536 local terms energy: -240.786155 where: bonds (distance) C4'-P energy: -72.742 bonds (distance) P-C4' energy: -85.142 flat angles C4'-P-C4' energy: -71.295 flat angles P-C4'-P energy: -31.168 tors. eta vs tors. theta energy: 19.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1566.358549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.358549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.358549 (E_RNA) where: Base-Base interactions energy: -1052.701 where: short stacking energy: -436.067 Base-Backbone interact. energy: -6.174 local terms energy: -507.483209 where: bonds (distance) C4'-P energy: -96.437 bonds (distance) P-C4' energy: -98.502 flat angles C4'-P-C4' energy: -107.564 flat angles P-C4'-P energy: -73.486 tors. eta vs tors. theta energy: -131.494 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: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1399.164046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.164046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.164046 (E_RNA) where: Base-Base interactions energy: -908.582 where: short stacking energy: -433.646 Base-Backbone interact. energy: -1.799 local terms energy: -488.783198 where: bonds (distance) C4'-P energy: -94.780 bonds (distance) P-C4' energy: -87.939 flat angles C4'-P-C4' energy: -106.580 flat angles P-C4'-P energy: -80.017 tors. eta vs tors. theta energy: -119.468 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: 3, replica: 2 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1274.068743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.068743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.068743 (E_RNA) where: Base-Base interactions energy: -833.812 where: short stacking energy: -411.422 Base-Backbone interact. energy: -1.785 local terms energy: -438.471842 where: bonds (distance) C4'-P energy: -92.925 bonds (distance) P-C4' energy: -85.609 flat angles C4'-P-C4' energy: -99.178 flat angles P-C4'-P energy: -50.037 tors. eta vs tors. theta energy: -110.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1188.977885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.977885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.977885 (E_RNA) where: Base-Base interactions energy: -769.936 where: short stacking energy: -383.317 Base-Backbone interact. energy: -2.420 local terms energy: -416.621239 where: bonds (distance) C4'-P energy: -79.856 bonds (distance) P-C4' energy: -89.083 flat angles C4'-P-C4' energy: -83.312 flat angles P-C4'-P energy: -59.888 tors. eta vs tors. theta energy: -104.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -974.853363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.853363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.853363 (E_RNA) where: Base-Base interactions energy: -593.516 where: short stacking energy: -298.809 Base-Backbone interact. energy: 0.220 local terms energy: -381.557059 where: bonds (distance) C4'-P energy: -90.144 bonds (distance) P-C4' energy: -86.458 flat angles C4'-P-C4' energy: -81.185 flat angles P-C4'-P energy: -59.811 tors. eta vs tors. theta energy: -63.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -836.593121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.593121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.593121 (E_RNA) where: Base-Base interactions energy: -495.206 where: short stacking energy: -234.089 Base-Backbone interact. energy: -0.476 local terms energy: -340.910598 where: bonds (distance) C4'-P energy: -73.892 bonds (distance) P-C4' energy: -85.742 flat angles C4'-P-C4' energy: -77.496 flat angles P-C4'-P energy: -54.939 tors. eta vs tors. theta energy: -48.842 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: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -760.653172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.653172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.653172 (E_RNA) where: Base-Base interactions energy: -421.149 where: short stacking energy: -203.676 Base-Backbone interact. energy: -1.549 local terms energy: -337.954916 where: bonds (distance) C4'-P energy: -83.396 bonds (distance) P-C4' energy: -98.301 flat angles C4'-P-C4' energy: -75.826 flat angles P-C4'-P energy: -39.632 tors. eta vs tors. theta energy: -40.800 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: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -614.617639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.617639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.617639 (E_RNA) where: Base-Base interactions energy: -297.219 where: short stacking energy: -182.106 Base-Backbone interact. energy: 1.970 local terms energy: -319.367986 where: bonds (distance) C4'-P energy: -86.941 bonds (distance) P-C4' energy: -86.428 flat angles C4'-P-C4' energy: -71.946 flat angles P-C4'-P energy: -59.504 tors. eta vs tors. theta energy: -14.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -458.167185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.167185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.167185 (E_RNA) where: Base-Base interactions energy: -206.861 where: short stacking energy: -117.868 Base-Backbone interact. energy: -2.029 local terms energy: -249.277398 where: bonds (distance) C4'-P energy: -75.444 bonds (distance) P-C4' energy: -81.905 flat angles C4'-P-C4' energy: -70.162 flat angles P-C4'-P energy: -39.712 tors. eta vs tors. theta energy: 17.945 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: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -439.120589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.120589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.120589 (E_RNA) where: Base-Base interactions energy: -165.579 where: short stacking energy: -117.451 Base-Backbone interact. energy: -1.013 local terms energy: -272.528215 where: bonds (distance) C4'-P energy: -79.747 bonds (distance) P-C4' energy: -72.903 flat angles C4'-P-C4' energy: -79.980 flat angles P-C4'-P energy: -45.819 tors. eta vs tors. theta energy: 5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1561.239999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.239999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.239999 (E_RNA) where: Base-Base interactions energy: -1047.923 where: short stacking energy: -463.628 Base-Backbone interact. energy: -5.684 local terms energy: -507.632687 where: bonds (distance) C4'-P energy: -94.069 bonds (distance) P-C4' energy: -94.603 flat angles C4'-P-C4' energy: -112.178 flat angles P-C4'-P energy: -76.940 tors. eta vs tors. theta energy: -129.843 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: 4 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1386.495000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.495000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.495000 (E_RNA) where: Base-Base interactions energy: -916.329 where: short stacking energy: -428.694 Base-Backbone interact. energy: 0.658 local terms energy: -470.823913 where: bonds (distance) C4'-P energy: -81.572 bonds (distance) P-C4' energy: -93.269 flat angles C4'-P-C4' energy: -101.747 flat angles P-C4'-P energy: -72.799 tors. eta vs tors. theta energy: -121.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1278.260332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.260332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.260332 (E_RNA) where: Base-Base interactions energy: -817.009 where: short stacking energy: -372.689 Base-Backbone interact. energy: -2.675 local terms energy: -458.577069 where: bonds (distance) C4'-P energy: -85.883 bonds (distance) P-C4' energy: -93.112 flat angles C4'-P-C4' energy: -104.574 flat angles P-C4'-P energy: -61.425 tors. eta vs tors. theta energy: -113.582 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: 10 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1182.341094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.341094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.341094 (E_RNA) where: Base-Base interactions energy: -735.083 where: short stacking energy: -366.097 Base-Backbone interact. energy: -0.185 local terms energy: -447.072247 where: bonds (distance) C4'-P energy: -87.740 bonds (distance) P-C4' energy: -89.823 flat angles C4'-P-C4' energy: -97.258 flat angles P-C4'-P energy: -69.842 tors. eta vs tors. theta energy: -102.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1024.211821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.211821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.211821 (E_RNA) where: Base-Base interactions energy: -611.551 where: short stacking energy: -307.658 Base-Backbone interact. energy: -2.331 local terms energy: -410.329446 where: bonds (distance) C4'-P energy: -91.202 bonds (distance) P-C4' energy: -86.173 flat angles C4'-P-C4' energy: -87.496 flat angles P-C4'-P energy: -67.296 tors. eta vs tors. theta energy: -78.163 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: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -863.104509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.104509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.104509 (E_RNA) where: Base-Base interactions energy: -514.731 where: short stacking energy: -257.582 Base-Backbone interact. energy: -0.387 local terms energy: -347.986446 where: bonds (distance) C4'-P energy: -77.347 bonds (distance) P-C4' energy: -80.729 flat angles C4'-P-C4' energy: -93.225 flat angles P-C4'-P energy: -48.742 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: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -762.768317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.768317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.768317 (E_RNA) where: Base-Base interactions energy: -438.374 where: short stacking energy: -235.697 Base-Backbone interact. energy: -2.409 local terms energy: -321.984862 where: bonds (distance) C4'-P energy: -76.329 bonds (distance) P-C4' energy: -87.622 flat angles C4'-P-C4' energy: -73.534 flat angles P-C4'-P energy: -47.379 tors. eta vs tors. theta energy: -37.122 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: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -586.467311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.467311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.467311 (E_RNA) where: Base-Base interactions energy: -321.615 where: short stacking energy: -176.393 Base-Backbone interact. energy: -2.076 local terms energy: -262.775999 where: bonds (distance) C4'-P energy: -71.411 bonds (distance) P-C4' energy: -74.577 flat angles C4'-P-C4' energy: -67.651 flat angles P-C4'-P energy: -52.060 tors. eta vs tors. theta energy: 2.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -495.956494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.956494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.956494 (E_RNA) where: Base-Base interactions energy: -217.775 where: short stacking energy: -123.816 Base-Backbone interact. energy: -0.760 local terms energy: -277.421296 where: bonds (distance) C4'-P energy: -80.313 bonds (distance) P-C4' energy: -83.127 flat angles C4'-P-C4' energy: -74.343 flat angles P-C4'-P energy: -36.797 tors. eta vs tors. theta energy: -2.841 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: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -459.479019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.479019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.479019 (E_RNA) where: Base-Base interactions energy: -189.882 where: short stacking energy: -147.246 Base-Backbone interact. energy: -1.784 local terms energy: -267.812323 where: bonds (distance) C4'-P energy: -83.453 bonds (distance) P-C4' energy: -68.254 flat angles C4'-P-C4' energy: -79.515 flat angles P-C4'-P energy: -42.395 tors. eta vs tors. theta energy: 5.804 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: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1549.463269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.463269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.463269 (E_RNA) where: Base-Base interactions energy: -1045.125 where: short stacking energy: -453.778 Base-Backbone interact. energy: 0.047 local terms energy: -504.384688 where: bonds (distance) C4'-P energy: -93.796 bonds (distance) P-C4' energy: -94.804 flat angles C4'-P-C4' energy: -103.523 flat angles P-C4'-P energy: -83.267 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: 2, replica: 4 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1362.482708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.482708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.482708 (E_RNA) where: Base-Base interactions energy: -879.322 where: short stacking energy: -407.928 Base-Backbone interact. energy: 1.051 local terms energy: -484.212511 where: bonds (distance) C4'-P energy: -100.401 bonds (distance) P-C4' energy: -98.678 flat angles C4'-P-C4' energy: -91.989 flat angles P-C4'-P energy: -67.131 tors. eta vs tors. theta energy: -126.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1271.235337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.235337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.235337 (E_RNA) where: Base-Base interactions energy: -809.788 where: short stacking energy: -382.306 Base-Backbone interact. energy: -2.371 local terms energy: -459.076213 where: bonds (distance) C4'-P energy: -91.326 bonds (distance) P-C4' energy: -96.263 flat angles C4'-P-C4' energy: -96.641 flat angles P-C4'-P energy: -56.698 tors. eta vs tors. theta energy: -118.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1131.878172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.878172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.878172 (E_RNA) where: Base-Base interactions energy: -731.115 where: short stacking energy: -376.870 Base-Backbone interact. energy: 2.521 local terms energy: -403.284111 where: bonds (distance) C4'-P energy: -77.815 bonds (distance) P-C4' energy: -77.173 flat angles C4'-P-C4' energy: -91.625 flat angles P-C4'-P energy: -57.457 tors. eta vs tors. theta energy: -99.215 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: 96 Temperature: 1.100000 Total energy: -1024.321088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.321088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.321088 (E_RNA) where: Base-Base interactions energy: -626.349 where: short stacking energy: -300.899 Base-Backbone interact. energy: -0.121 local terms energy: -397.851089 where: bonds (distance) C4'-P energy: -88.286 bonds (distance) P-C4' energy: -89.540 flat angles C4'-P-C4' energy: -81.398 flat angles P-C4'-P energy: -56.552 tors. eta vs tors. theta energy: -82.075 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: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -875.191144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.191144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.191144 (E_RNA) where: Base-Base interactions energy: -502.052 where: short stacking energy: -252.474 Base-Backbone interact. energy: -0.722 local terms energy: -372.417251 where: bonds (distance) C4'-P energy: -76.622 bonds (distance) P-C4' energy: -83.449 flat angles C4'-P-C4' energy: -97.279 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -53.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -775.523081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.523081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.523081 (E_RNA) where: Base-Base interactions energy: -424.707 where: short stacking energy: -225.760 Base-Backbone interact. energy: -0.437 local terms energy: -350.379297 where: bonds (distance) C4'-P energy: -93.449 bonds (distance) P-C4' energy: -78.440 flat angles C4'-P-C4' energy: -84.385 flat angles P-C4'-P energy: -52.148 tors. eta vs tors. theta energy: -41.958 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: 8, replica: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -574.200731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.200731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.200731 (E_RNA) where: Base-Base interactions energy: -285.539 where: short stacking energy: -163.524 Base-Backbone interact. energy: -2.073 local terms energy: -286.588308 where: bonds (distance) C4'-P energy: -81.117 bonds (distance) P-C4' energy: -93.059 flat angles C4'-P-C4' energy: -81.100 flat angles P-C4'-P energy: -36.390 tors. eta vs tors. theta energy: 5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -547.877682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.877682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.877682 (E_RNA) where: Base-Base interactions energy: -294.864 where: short stacking energy: -183.437 Base-Backbone interact. energy: -2.125 local terms energy: -250.888843 where: bonds (distance) C4'-P energy: -79.569 bonds (distance) P-C4' energy: -55.027 flat angles C4'-P-C4' energy: -63.243 flat angles P-C4'-P energy: -41.568 tors. eta vs tors. theta energy: -11.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -373.899565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.899565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.899565 (E_RNA) where: Base-Base interactions energy: -132.060 where: short stacking energy: -107.633 Base-Backbone interact. energy: -2.647 local terms energy: -239.192873 where: bonds (distance) C4'-P energy: -85.858 bonds (distance) P-C4' energy: -93.257 flat angles C4'-P-C4' energy: -56.002 flat angles P-C4'-P energy: -30.334 tors. eta vs tors. theta energy: 26.257 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: 1, replica: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1549.076073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.076073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.076073 (E_RNA) where: Base-Base interactions energy: -1038.547 where: short stacking energy: -458.657 Base-Backbone interact. energy: -4.952 local terms energy: -505.577460 where: bonds (distance) C4'-P energy: -103.044 bonds (distance) P-C4' energy: -98.661 flat angles C4'-P-C4' energy: -103.359 flat angles P-C4'-P energy: -70.139 tors. eta vs tors. theta energy: -130.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1362.788705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.788705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.788705 (E_RNA) where: Base-Base interactions energy: -901.039 where: short stacking energy: -387.243 Base-Backbone interact. energy: -0.165 local terms energy: -461.585028 where: bonds (distance) C4'-P energy: -96.880 bonds (distance) P-C4' energy: -101.385 flat angles C4'-P-C4' energy: -93.965 flat angles P-C4'-P energy: -64.932 tors. eta vs tors. theta energy: -104.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1333.014326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.014326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.014326 (E_RNA) where: Base-Base interactions energy: -872.518 where: short stacking energy: -397.234 Base-Backbone interact. energy: -1.853 local terms energy: -458.644003 where: bonds (distance) C4'-P energy: -81.538 bonds (distance) P-C4' energy: -89.062 flat angles C4'-P-C4' energy: -114.435 flat angles P-C4'-P energy: -67.069 tors. eta vs tors. theta energy: -106.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1168.094551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.094551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.094551 (E_RNA) where: Base-Base interactions energy: -721.954 where: short stacking energy: -374.699 Base-Backbone interact. energy: 0.013 local terms energy: -446.153028 where: bonds (distance) C4'-P energy: -93.814 bonds (distance) P-C4' energy: -83.755 flat angles C4'-P-C4' energy: -99.691 flat angles P-C4'-P energy: -61.735 tors. eta vs tors. theta energy: -107.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1000.053526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.053526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.053526 (E_RNA) where: Base-Base interactions energy: -598.492 where: short stacking energy: -294.527 Base-Backbone interact. energy: -0.206 local terms energy: -401.355548 where: bonds (distance) C4'-P energy: -75.568 bonds (distance) P-C4' energy: -99.529 flat angles C4'-P-C4' energy: -94.582 flat angles P-C4'-P energy: -68.350 tors. eta vs tors. theta energy: -63.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -803.452311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.452311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.452311 (E_RNA) where: Base-Base interactions energy: -468.035 where: short stacking energy: -247.421 Base-Backbone interact. energy: 0.637 local terms energy: -336.053597 where: bonds (distance) C4'-P energy: -86.156 bonds (distance) P-C4' energy: -72.671 flat angles C4'-P-C4' energy: -85.218 flat angles P-C4'-P energy: -36.222 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: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -800.002148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.002148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.002148 (E_RNA) where: Base-Base interactions energy: -446.467 where: short stacking energy: -228.956 Base-Backbone interact. energy: 0.006 local terms energy: -353.541080 where: bonds (distance) C4'-P energy: -67.046 bonds (distance) P-C4' energy: -95.729 flat angles C4'-P-C4' energy: -89.561 flat angles P-C4'-P energy: -60.762 tors. eta vs tors. theta energy: -40.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -588.343675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.343675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.343675 (E_RNA) where: Base-Base interactions energy: -299.332 where: short stacking energy: -183.856 Base-Backbone interact. energy: 1.741 local terms energy: -290.752407 where: bonds (distance) C4'-P energy: -69.056 bonds (distance) P-C4' energy: -85.722 flat angles C4'-P-C4' energy: -75.668 flat angles P-C4'-P energy: -56.464 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: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -547.665922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.665922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.665922 (E_RNA) where: Base-Base interactions energy: -295.619 where: short stacking energy: -163.257 Base-Backbone interact. energy: -1.870 local terms energy: -250.177542 where: bonds (distance) C4'-P energy: -62.831 bonds (distance) P-C4' energy: -80.540 flat angles C4'-P-C4' energy: -59.835 flat angles P-C4'-P energy: -43.050 tors. eta vs tors. theta energy: -3.922 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: 1 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -395.288661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.288661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.288661 (E_RNA) where: Base-Base interactions energy: -148.942 where: short stacking energy: -115.291 Base-Backbone interact. energy: -2.030 local terms energy: -244.316239 where: bonds (distance) C4'-P energy: -79.532 bonds (distance) P-C4' energy: -74.572 flat angles C4'-P-C4' energy: -72.898 flat angles P-C4'-P energy: -37.348 tors. eta vs tors. theta energy: 20.034 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: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1544.629457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.629457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.629457 (E_RNA) where: Base-Base interactions energy: -1032.636 where: short stacking energy: -463.783 Base-Backbone interact. energy: -3.354 local terms energy: -508.639640 where: bonds (distance) C4'-P energy: -93.663 bonds (distance) P-C4' energy: -105.145 flat angles C4'-P-C4' energy: -107.974 flat angles P-C4'-P energy: -64.316 tors. eta vs tors. theta energy: -137.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1411.159586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.159586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.159586 (E_RNA) where: Base-Base interactions energy: -910.004 where: short stacking energy: -446.819 Base-Backbone interact. energy: -3.151 local terms energy: -498.004241 where: bonds (distance) C4'-P energy: -79.657 bonds (distance) P-C4' energy: -99.057 flat angles C4'-P-C4' energy: -108.577 flat angles P-C4'-P energy: -72.205 tors. eta vs tors. theta energy: -138.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1327.365199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.365199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.365199 (E_RNA) where: Base-Base interactions energy: -880.955 where: short stacking energy: -414.159 Base-Backbone interact. energy: 1.645 local terms energy: -448.055632 where: bonds (distance) C4'-P energy: -80.331 bonds (distance) P-C4' energy: -85.802 flat angles C4'-P-C4' energy: -94.410 flat angles P-C4'-P energy: -64.138 tors. eta vs tors. theta energy: -123.376 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: 4, replica: 10 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1164.079972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.079972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.079972 (E_RNA) where: Base-Base interactions energy: -749.253 where: short stacking energy: -390.658 Base-Backbone interact. energy: 2.435 local terms energy: -417.262025 where: bonds (distance) C4'-P energy: -79.060 bonds (distance) P-C4' energy: -87.072 flat angles C4'-P-C4' energy: -89.419 flat angles P-C4'-P energy: -56.378 tors. eta vs tors. theta energy: -105.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -972.110846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.110846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.110846 (E_RNA) where: Base-Base interactions energy: -603.433 where: short stacking energy: -280.861 Base-Backbone interact. energy: -0.776 local terms energy: -367.901821 where: bonds (distance) C4'-P energy: -77.727 bonds (distance) P-C4' energy: -85.755 flat angles C4'-P-C4' energy: -90.029 flat angles P-C4'-P energy: -55.541 tors. eta vs tors. theta energy: -58.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -766.058079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.058079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.058079 (E_RNA) where: Base-Base interactions energy: -412.163 where: short stacking energy: -199.457 Base-Backbone interact. energy: 0.600 local terms energy: -354.494673 where: bonds (distance) C4'-P energy: -95.725 bonds (distance) P-C4' energy: -84.727 flat angles C4'-P-C4' energy: -89.659 flat angles P-C4'-P energy: -55.897 tors. eta vs tors. theta energy: -28.486 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: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -749.821007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.821007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.821007 (E_RNA) where: Base-Base interactions energy: -411.907 where: short stacking energy: -212.757 Base-Backbone interact. energy: 2.350 local terms energy: -340.264152 where: bonds (distance) C4'-P energy: -82.252 bonds (distance) P-C4' energy: -91.672 flat angles C4'-P-C4' energy: -83.283 flat angles P-C4'-P energy: -44.284 tors. eta vs tors. theta energy: -38.774 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: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -613.922618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.922618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.922618 (E_RNA) where: Base-Base interactions energy: -325.091 where: short stacking energy: -171.369 Base-Backbone interact. energy: -1.554 local terms energy: -287.278526 where: bonds (distance) C4'-P energy: -74.210 bonds (distance) P-C4' energy: -88.949 flat angles C4'-P-C4' energy: -67.459 flat angles P-C4'-P energy: -49.179 tors. eta vs tors. theta energy: -7.480 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: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -575.561810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.561810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.561810 (E_RNA) where: Base-Base interactions energy: -276.068 where: short stacking energy: -161.511 Base-Backbone interact. energy: 0.737 local terms energy: -300.231043 where: bonds (distance) C4'-P energy: -87.813 bonds (distance) P-C4' energy: -92.757 flat angles C4'-P-C4' energy: -66.243 flat angles P-C4'-P energy: -37.442 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: 10, replica: 1 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -372.060253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.060253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.060253 (E_RNA) where: Base-Base interactions energy: -137.454 where: short stacking energy: -125.917 Base-Backbone interact. energy: -0.382 local terms energy: -234.223391 where: bonds (distance) C4'-P energy: -73.137 bonds (distance) P-C4' energy: -61.747 flat angles C4'-P-C4' energy: -77.613 flat angles P-C4'-P energy: -35.446 tors. eta vs tors. theta energy: 13.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1546.376357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.376357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.376357 (E_RNA) where: Base-Base interactions energy: -1030.922 where: short stacking energy: -440.224 Base-Backbone interact. energy: -4.872 local terms energy: -510.582382 where: bonds (distance) C4'-P energy: -95.887 bonds (distance) P-C4' energy: -110.473 flat angles C4'-P-C4' energy: -108.881 flat angles P-C4'-P energy: -70.128 tors. eta vs tors. theta energy: -125.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1408.632199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.632199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.632199 (E_RNA) where: Base-Base interactions energy: -907.053 where: short stacking energy: -441.952 Base-Backbone interact. energy: -1.212 local terms energy: -500.367138 where: bonds (distance) C4'-P energy: -91.338 bonds (distance) P-C4' energy: -98.241 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -63.655 tors. eta vs tors. theta energy: -133.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1290.174357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.174357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.174357 (E_RNA) where: Base-Base interactions energy: -827.176 where: short stacking energy: -391.099 Base-Backbone interact. energy: -1.227 local terms energy: -461.772229 where: bonds (distance) C4'-P energy: -87.702 bonds (distance) P-C4' energy: -91.307 flat angles C4'-P-C4' energy: -96.308 flat angles P-C4'-P energy: -64.938 tors. eta vs tors. theta energy: -121.517 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: 10 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1164.489450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.489450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.489450 (E_RNA) where: Base-Base interactions energy: -754.777 where: short stacking energy: -346.581 Base-Backbone interact. energy: -0.057 local terms energy: -409.655583 where: bonds (distance) C4'-P energy: -78.652 bonds (distance) P-C4' energy: -87.312 flat angles C4'-P-C4' energy: -85.933 flat angles P-C4'-P energy: -63.623 tors. eta vs tors. theta energy: -94.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1019.944845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.944845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.944845 (E_RNA) where: Base-Base interactions energy: -627.955 where: short stacking energy: -306.310 Base-Backbone interact. energy: -0.840 local terms energy: -391.149146 where: bonds (distance) C4'-P energy: -77.579 bonds (distance) P-C4' energy: -84.083 flat angles C4'-P-C4' energy: -91.887 flat angles P-C4'-P energy: -59.238 tors. eta vs tors. theta energy: -78.363 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: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -813.653165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.653165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.653165 (E_RNA) where: Base-Base interactions energy: -469.804 where: short stacking energy: -268.162 Base-Backbone interact. energy: -2.011 local terms energy: -341.838045 where: bonds (distance) C4'-P energy: -71.251 bonds (distance) P-C4' energy: -76.919 flat angles C4'-P-C4' energy: -95.941 flat angles P-C4'-P energy: -53.288 tors. eta vs tors. theta energy: -44.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -737.838808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.838808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.838808 (E_RNA) where: Base-Base interactions energy: -413.730 where: short stacking energy: -204.979 Base-Backbone interact. energy: -2.109 local terms energy: -322.000230 where: bonds (distance) C4'-P energy: -79.424 bonds (distance) P-C4' energy: -89.741 flat angles C4'-P-C4' energy: -79.477 flat angles P-C4'-P energy: -48.061 tors. eta vs tors. theta energy: -25.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -694.243195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.243195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.243195 (E_RNA) where: Base-Base interactions energy: -373.959 where: short stacking energy: -198.510 Base-Backbone interact. energy: -0.588 local terms energy: -319.696492 where: bonds (distance) C4'-P energy: -86.219 bonds (distance) P-C4' energy: -71.034 flat angles C4'-P-C4' energy: -75.925 flat angles P-C4'-P energy: -58.583 tors. eta vs tors. theta energy: -27.937 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: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -593.393704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.393704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.393704 (E_RNA) where: Base-Base interactions energy: -306.444 where: short stacking energy: -155.887 Base-Backbone interact. energy: 0.989 local terms energy: -287.938937 where: bonds (distance) C4'-P energy: -75.961 bonds (distance) P-C4' energy: -78.843 flat angles C4'-P-C4' energy: -68.965 flat angles P-C4'-P energy: -42.395 tors. eta vs tors. theta energy: -21.774 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: 10, replica: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -388.435912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.435912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.435912 (E_RNA) where: Base-Base interactions energy: -148.363 where: short stacking energy: -114.143 Base-Backbone interact. energy: -2.163 local terms energy: -237.909676 where: bonds (distance) C4'-P energy: -91.254 bonds (distance) P-C4' energy: -62.432 flat angles C4'-P-C4' energy: -48.265 flat angles P-C4'-P energy: -39.144 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: 1, replica: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1530.381326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.381326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.381326 (E_RNA) where: Base-Base interactions energy: -1017.954 where: short stacking energy: -447.210 Base-Backbone interact. energy: -2.973 local terms energy: -509.454470 where: bonds (distance) C4'-P energy: -90.336 bonds (distance) P-C4' energy: -108.794 flat angles C4'-P-C4' energy: -102.684 flat angles P-C4'-P energy: -69.728 tors. eta vs tors. theta energy: -137.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1430.572700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.572700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.572700 (E_RNA) where: Base-Base interactions energy: -935.550 where: short stacking energy: -459.208 Base-Backbone interact. energy: 3.543 local terms energy: -498.566019 where: bonds (distance) C4'-P energy: -94.038 bonds (distance) P-C4' energy: -94.269 flat angles C4'-P-C4' energy: -109.105 flat angles P-C4'-P energy: -64.553 tors. eta vs tors. theta energy: -136.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1295.053424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.053424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.053424 (E_RNA) where: Base-Base interactions energy: -840.045 where: short stacking energy: -401.359 Base-Backbone interact. energy: -2.137 local terms energy: -452.871147 where: bonds (distance) C4'-P energy: -83.088 bonds (distance) P-C4' energy: -84.806 flat angles C4'-P-C4' energy: -98.139 flat angles P-C4'-P energy: -61.452 tors. eta vs tors. theta energy: -125.386 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: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1147.304544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.304544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.304544 (E_RNA) where: Base-Base interactions energy: -718.240 where: short stacking energy: -322.065 Base-Backbone interact. energy: -1.278 local terms energy: -427.786192 where: bonds (distance) C4'-P energy: -94.341 bonds (distance) P-C4' energy: -86.587 flat angles C4'-P-C4' energy: -100.745 flat angles P-C4'-P energy: -64.751 tors. eta vs tors. theta energy: -81.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -989.437889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.437889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.437889 (E_RNA) where: Base-Base interactions energy: -598.657 where: short stacking energy: -312.968 Base-Backbone interact. energy: -1.471 local terms energy: -389.309951 where: bonds (distance) C4'-P energy: -73.272 bonds (distance) P-C4' energy: -98.517 flat angles C4'-P-C4' energy: -91.628 flat angles P-C4'-P energy: -54.345 tors. eta vs tors. theta energy: -71.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -784.650213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.650213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.650213 (E_RNA) where: Base-Base interactions energy: -455.070 where: short stacking energy: -233.658 Base-Backbone interact. energy: -1.566 local terms energy: -328.014199 where: bonds (distance) C4'-P energy: -87.903 bonds (distance) P-C4' energy: -70.961 flat angles C4'-P-C4' energy: -88.495 flat angles P-C4'-P energy: -48.094 tors. eta vs tors. theta energy: -32.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -751.283238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.283238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.283238 (E_RNA) where: Base-Base interactions energy: -426.824 where: short stacking energy: -231.039 Base-Backbone interact. energy: 3.140 local terms energy: -327.599060 where: bonds (distance) C4'-P energy: -88.675 bonds (distance) P-C4' energy: -74.391 flat angles C4'-P-C4' energy: -71.867 flat angles P-C4'-P energy: -55.437 tors. eta vs tors. theta energy: -37.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -669.460464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.460464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.460464 (E_RNA) where: Base-Base interactions energy: -359.850 where: short stacking energy: -180.868 Base-Backbone interact. energy: -3.894 local terms energy: -305.717401 where: bonds (distance) C4'-P energy: -80.248 bonds (distance) P-C4' energy: -71.995 flat angles C4'-P-C4' energy: -78.986 flat angles P-C4'-P energy: -44.608 tors. eta vs tors. theta energy: -29.881 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: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -601.928385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.928385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.928385 (E_RNA) where: Base-Base interactions energy: -309.509 where: short stacking energy: -171.310 Base-Backbone interact. energy: -3.579 local terms energy: -288.840936 where: bonds (distance) C4'-P energy: -76.302 bonds (distance) P-C4' energy: -89.577 flat angles C4'-P-C4' energy: -71.831 flat angles P-C4'-P energy: -40.750 tors. eta vs tors. theta energy: -10.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -395.086244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.086244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.086244 (E_RNA) where: Base-Base interactions energy: -139.895 where: short stacking energy: -108.862 Base-Backbone interact. energy: 7.133 local terms energy: -262.324307 where: bonds (distance) C4'-P energy: -92.448 bonds (distance) P-C4' energy: -64.871 flat angles C4'-P-C4' energy: -80.012 flat angles P-C4'-P energy: -44.150 tors. eta vs tors. theta energy: 19.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1522.970649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.970649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.970649 (E_RNA) where: Base-Base interactions energy: -1022.503 where: short stacking energy: -471.084 Base-Backbone interact. energy: -2.141 local terms energy: -498.326213 where: bonds (distance) C4'-P energy: -97.383 bonds (distance) P-C4' energy: -99.682 flat angles C4'-P-C4' energy: -103.784 flat angles P-C4'-P energy: -67.355 tors. eta vs tors. theta energy: -130.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1409.761142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.761142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.761142 (E_RNA) where: Base-Base interactions energy: -910.166 where: short stacking energy: -435.126 Base-Backbone interact. energy: 0.762 local terms energy: -500.357676 where: bonds (distance) C4'-P energy: -83.918 bonds (distance) P-C4' energy: -101.909 flat angles C4'-P-C4' energy: -112.028 flat angles P-C4'-P energy: -67.605 tors. eta vs tors. theta energy: -134.898 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: 3, replica: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1271.054978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.054978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.054978 (E_RNA) where: Base-Base interactions energy: -829.510 where: short stacking energy: -400.424 Base-Backbone interact. energy: -1.332 local terms energy: -440.212703 where: bonds (distance) C4'-P energy: -85.553 bonds (distance) P-C4' energy: -86.684 flat angles C4'-P-C4' energy: -95.059 flat angles P-C4'-P energy: -63.346 tors. eta vs tors. theta energy: -109.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1190.629164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.629164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.629164 (E_RNA) where: Base-Base interactions energy: -765.472 where: short stacking energy: -370.391 Base-Backbone interact. energy: 3.016 local terms energy: -428.172955 where: bonds (distance) C4'-P energy: -87.348 bonds (distance) P-C4' energy: -96.360 flat angles C4'-P-C4' energy: -92.853 flat angles P-C4'-P energy: -49.326 tors. eta vs tors. theta energy: -102.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -951.903939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.903939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.903939 (E_RNA) where: Base-Base interactions energy: -557.224 where: short stacking energy: -272.397 Base-Backbone interact. energy: 0.312 local terms energy: -394.991910 where: bonds (distance) C4'-P energy: -94.256 bonds (distance) P-C4' energy: -80.126 flat angles C4'-P-C4' energy: -97.243 flat angles P-C4'-P energy: -69.659 tors. eta vs tors. theta energy: -53.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -871.159825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.159825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.159825 (E_RNA) where: Base-Base interactions energy: -526.925 where: short stacking energy: -296.865 Base-Backbone interact. energy: -2.646 local terms energy: -341.588710 where: bonds (distance) C4'-P energy: -77.839 bonds (distance) P-C4' energy: -83.347 flat angles C4'-P-C4' energy: -84.164 flat angles P-C4'-P energy: -40.137 tors. eta vs tors. theta energy: -56.102 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: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -828.856749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.856749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.856749 (E_RNA) where: Base-Base interactions energy: -473.290 where: short stacking energy: -221.845 Base-Backbone interact. energy: -3.643 local terms energy: -351.923617 where: bonds (distance) C4'-P energy: -78.092 bonds (distance) P-C4' energy: -93.579 flat angles C4'-P-C4' energy: -78.971 flat angles P-C4'-P energy: -53.572 tors. eta vs tors. theta energy: -47.709 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: 9 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -630.152794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.152794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.152794 (E_RNA) where: Base-Base interactions energy: -337.782 where: short stacking energy: -172.996 Base-Backbone interact. energy: -1.098 local terms energy: -291.272824 where: bonds (distance) C4'-P energy: -73.724 bonds (distance) P-C4' energy: -79.624 flat angles C4'-P-C4' energy: -83.937 flat angles P-C4'-P energy: -51.290 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: 3 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -608.903734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.903734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.903734 (E_RNA) where: Base-Base interactions energy: -341.363 where: short stacking energy: -172.724 Base-Backbone interact. energy: -0.741 local terms energy: -266.799538 where: bonds (distance) C4'-P energy: -63.323 bonds (distance) P-C4' energy: -78.734 flat angles C4'-P-C4' energy: -83.877 flat angles P-C4'-P energy: -41.316 tors. eta vs tors. theta energy: 0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -385.406664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.406664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.406664 (E_RNA) where: Base-Base interactions energy: -148.933 where: short stacking energy: -110.710 Base-Backbone interact. energy: 0.198 local terms energy: -236.671750 where: bonds (distance) C4'-P energy: -73.416 bonds (distance) P-C4' energy: -79.786 flat angles C4'-P-C4' energy: -51.587 flat angles P-C4'-P energy: -48.003 tors. eta vs tors. theta energy: 16.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1513.749077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.749077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.749077 (E_RNA) where: Base-Base interactions energy: -1010.495 where: short stacking energy: -457.914 Base-Backbone interact. energy: -2.589 local terms energy: -500.665396 where: bonds (distance) C4'-P energy: -92.170 bonds (distance) P-C4' energy: -104.308 flat angles C4'-P-C4' energy: -104.862 flat angles P-C4'-P energy: -71.934 tors. eta vs tors. theta energy: -127.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1397.506047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.506047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.506047 (E_RNA) where: Base-Base interactions energy: -918.511 where: short stacking energy: -437.978 Base-Backbone interact. energy: -1.674 local terms energy: -477.321993 where: bonds (distance) C4'-P energy: -82.997 bonds (distance) P-C4' energy: -91.991 flat angles C4'-P-C4' energy: -100.715 flat angles P-C4'-P energy: -65.818 tors. eta vs tors. theta energy: -135.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1257.172793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.172793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.172793 (E_RNA) where: Base-Base interactions energy: -810.991 where: short stacking energy: -377.748 Base-Backbone interact. energy: -0.822 local terms energy: -445.359809 where: bonds (distance) C4'-P energy: -75.977 bonds (distance) P-C4' energy: -99.607 flat angles C4'-P-C4' energy: -102.851 flat angles P-C4'-P energy: -65.489 tors. eta vs tors. theta energy: -101.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1179.702900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.702900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.702900 (E_RNA) where: Base-Base interactions energy: -717.842 where: short stacking energy: -344.707 Base-Backbone interact. energy: -1.126 local terms energy: -460.734812 where: bonds (distance) C4'-P energy: -91.226 bonds (distance) P-C4' energy: -97.958 flat angles C4'-P-C4' energy: -104.272 flat angles P-C4'-P energy: -59.482 tors. eta vs tors. theta energy: -107.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -952.702393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.702393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.702393 (E_RNA) where: Base-Base interactions energy: -588.662 where: short stacking energy: -279.570 Base-Backbone interact. energy: -1.254 local terms energy: -362.786128 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -96.894 flat angles C4'-P-C4' energy: -85.861 flat angles P-C4'-P energy: -51.804 tors. eta vs tors. theta energy: -42.210 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: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -935.417244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.417244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.417244 (E_RNA) where: Base-Base interactions energy: -533.121 where: short stacking energy: -254.558 Base-Backbone interact. energy: -1.671 local terms energy: -400.625736 where: bonds (distance) C4'-P energy: -78.627 bonds (distance) P-C4' energy: -97.497 flat angles C4'-P-C4' energy: -94.736 flat angles P-C4'-P energy: -63.348 tors. eta vs tors. theta energy: -66.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -814.718979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.718979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.718979 (E_RNA) where: Base-Base interactions energy: -488.917 where: short stacking energy: -246.094 Base-Backbone interact. energy: 0.956 local terms energy: -326.757580 where: bonds (distance) C4'-P energy: -72.019 bonds (distance) P-C4' energy: -85.118 flat angles C4'-P-C4' energy: -76.114 flat angles P-C4'-P energy: -46.804 tors. eta vs tors. theta energy: -46.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -622.501511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.501511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.501511 (E_RNA) where: Base-Base interactions energy: -304.504 where: short stacking energy: -183.741 Base-Backbone interact. energy: -0.298 local terms energy: -317.699633 where: bonds (distance) C4'-P energy: -84.575 bonds (distance) P-C4' energy: -87.488 flat angles C4'-P-C4' energy: -82.342 flat angles P-C4'-P energy: -41.783 tors. eta vs tors. theta energy: -21.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -591.198866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.198866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.198866 (E_RNA) where: Base-Base interactions energy: -305.373 where: short stacking energy: -191.430 Base-Backbone interact. energy: -0.567 local terms energy: -285.259098 where: bonds (distance) C4'-P energy: -81.916 bonds (distance) P-C4' energy: -85.600 flat angles C4'-P-C4' energy: -59.021 flat angles P-C4'-P energy: -49.619 tors. eta vs tors. theta energy: -9.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -386.274616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.274616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.274616 (E_RNA) where: Base-Base interactions energy: -135.801 where: short stacking energy: -121.117 Base-Backbone interact. energy: 2.871 local terms energy: -253.344691 where: bonds (distance) C4'-P energy: -66.952 bonds (distance) P-C4' energy: -76.906 flat angles C4'-P-C4' energy: -80.523 flat angles P-C4'-P energy: -31.961 tors. eta vs tors. theta energy: 2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1495.860966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.860966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.860966 (E_RNA) where: Base-Base interactions energy: -979.734 where: short stacking energy: -459.442 Base-Backbone interact. energy: -3.582 local terms energy: -512.545726 where: bonds (distance) C4'-P energy: -91.824 bonds (distance) P-C4' energy: -104.137 flat angles C4'-P-C4' energy: -108.551 flat angles P-C4'-P energy: -76.894 tors. eta vs tors. theta energy: -131.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1390.563833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.563833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.563833 (E_RNA) where: Base-Base interactions energy: -909.445 where: short stacking energy: -420.881 Base-Backbone interact. energy: -2.147 local terms energy: -478.971890 where: bonds (distance) C4'-P energy: -76.049 bonds (distance) P-C4' energy: -94.025 flat angles C4'-P-C4' energy: -111.528 flat angles P-C4'-P energy: -77.196 tors. eta vs tors. theta energy: -120.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1288.283198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.283198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.283198 (E_RNA) where: Base-Base interactions energy: -828.219 where: short stacking energy: -386.297 Base-Backbone interact. energy: -2.042 local terms energy: -458.022659 where: bonds (distance) C4'-P energy: -90.302 bonds (distance) P-C4' energy: -98.554 flat angles C4'-P-C4' energy: -94.622 flat angles P-C4'-P energy: -64.797 tors. eta vs tors. theta energy: -109.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1146.706228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.706228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.706228 (E_RNA) where: Base-Base interactions energy: -739.952 where: short stacking energy: -361.344 Base-Backbone interact. energy: -1.384 local terms energy: -405.370582 where: bonds (distance) C4'-P energy: -79.892 bonds (distance) P-C4' energy: -86.068 flat angles C4'-P-C4' energy: -95.523 flat angles P-C4'-P energy: -54.380 tors. eta vs tors. theta energy: -89.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -945.356227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.356227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.356227 (E_RNA) where: Base-Base interactions energy: -569.560 where: short stacking energy: -296.915 Base-Backbone interact. energy: -1.918 local terms energy: -373.878861 where: bonds (distance) C4'-P energy: -89.600 bonds (distance) P-C4' energy: -83.212 flat angles C4'-P-C4' energy: -82.607 flat angles P-C4'-P energy: -50.596 tors. eta vs tors. theta energy: -67.864 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: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -921.490855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.490855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.490855 (E_RNA) where: Base-Base interactions energy: -521.268 where: short stacking energy: -260.975 Base-Backbone interact. energy: -1.604 local terms energy: -398.619166 where: bonds (distance) C4'-P energy: -82.821 bonds (distance) P-C4' energy: -96.308 flat angles C4'-P-C4' energy: -96.444 flat angles P-C4'-P energy: -57.966 tors. eta vs tors. theta energy: -65.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -788.066217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.066217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.066217 (E_RNA) where: Base-Base interactions energy: -459.249 where: short stacking energy: -233.644 Base-Backbone interact. energy: -1.364 local terms energy: -327.452752 where: bonds (distance) C4'-P energy: -73.381 bonds (distance) P-C4' energy: -98.921 flat angles C4'-P-C4' energy: -80.033 flat angles P-C4'-P energy: -36.719 tors. eta vs tors. theta energy: -38.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -602.870426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.870426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.870426 (E_RNA) where: Base-Base interactions energy: -318.418 where: short stacking energy: -205.337 Base-Backbone interact. energy: 2.532 local terms energy: -286.984629 where: bonds (distance) C4'-P energy: -53.311 bonds (distance) P-C4' energy: -83.526 flat angles C4'-P-C4' energy: -82.446 flat angles P-C4'-P energy: -43.912 tors. eta vs tors. theta energy: -23.790 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: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -541.030267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.030267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.030267 (E_RNA) where: Base-Base interactions energy: -251.208 where: short stacking energy: -160.675 Base-Backbone interact. energy: 1.262 local terms energy: -291.083399 where: bonds (distance) C4'-P energy: -89.779 bonds (distance) P-C4' energy: -69.785 flat angles C4'-P-C4' energy: -73.997 flat angles P-C4'-P energy: -38.664 tors. eta vs tors. theta energy: -18.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -373.800860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.800860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.800860 (E_RNA) where: Base-Base interactions energy: -123.580 where: short stacking energy: -93.714 Base-Backbone interact. energy: -2.828 local terms energy: -247.393249 where: bonds (distance) C4'-P energy: -81.301 bonds (distance) P-C4' energy: -75.881 flat angles C4'-P-C4' energy: -58.038 flat angles P-C4'-P energy: -52.304 tors. eta vs tors. theta energy: 20.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1481.466574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.466574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.466574 (E_RNA) where: Base-Base interactions energy: -969.260 where: short stacking energy: -445.731 Base-Backbone interact. energy: -3.313 local terms energy: -508.893761 where: bonds (distance) C4'-P energy: -100.615 bonds (distance) P-C4' energy: -103.075 flat angles C4'-P-C4' energy: -108.258 flat angles P-C4'-P energy: -70.110 tors. eta vs tors. theta energy: -126.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1434.726725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.726725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.726725 (E_RNA) where: Base-Base interactions energy: -940.942 where: short stacking energy: -471.448 Base-Backbone interact. energy: -2.041 local terms energy: -491.744187 where: bonds (distance) C4'-P energy: -86.362 bonds (distance) P-C4' energy: -95.568 flat angles C4'-P-C4' energy: -104.284 flat angles P-C4'-P energy: -62.610 tors. eta vs tors. theta energy: -142.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1303.648166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.648166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.648166 (E_RNA) where: Base-Base interactions energy: -871.771 where: short stacking energy: -423.949 Base-Backbone interact. energy: -0.805 local terms energy: -431.071828 where: bonds (distance) C4'-P energy: -91.405 bonds (distance) P-C4' energy: -87.163 flat angles C4'-P-C4' energy: -101.027 flat angles P-C4'-P energy: -46.840 tors. eta vs tors. theta energy: -104.636 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: 10 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1154.172602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.172602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.172602 (E_RNA) where: Base-Base interactions energy: -709.418 where: short stacking energy: -355.250 Base-Backbone interact. energy: -0.479 local terms energy: -444.275893 where: bonds (distance) C4'-P energy: -81.202 bonds (distance) P-C4' energy: -89.338 flat angles C4'-P-C4' energy: -98.220 flat angles P-C4'-P energy: -78.362 tors. eta vs tors. theta energy: -97.155 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: 7 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -944.736401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.736401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.736401 (E_RNA) where: Base-Base interactions energy: -564.561 where: short stacking energy: -278.877 Base-Backbone interact. energy: 1.245 local terms energy: -381.420365 where: bonds (distance) C4'-P energy: -80.473 bonds (distance) P-C4' energy: -90.127 flat angles C4'-P-C4' energy: -99.387 flat angles P-C4'-P energy: -60.655 tors. eta vs tors. theta energy: -50.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -917.207849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.207849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.207849 (E_RNA) where: Base-Base interactions energy: -570.892 where: short stacking energy: -279.778 Base-Backbone interact. energy: 0.443 local terms energy: -346.758249 where: bonds (distance) C4'-P energy: -82.727 bonds (distance) P-C4' energy: -75.887 flat angles C4'-P-C4' energy: -82.954 flat angles P-C4'-P energy: -50.741 tors. eta vs tors. theta energy: -54.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -769.801913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.801913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.801913 (E_RNA) where: Base-Base interactions energy: -430.877 where: short stacking energy: -245.392 Base-Backbone interact. energy: -2.448 local terms energy: -336.477592 where: bonds (distance) C4'-P energy: -75.514 bonds (distance) P-C4' energy: -92.292 flat angles C4'-P-C4' energy: -85.624 flat angles P-C4'-P energy: -42.920 tors. eta vs tors. theta energy: -40.128 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: 9 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -624.687608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.687608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.687608 (E_RNA) where: Base-Base interactions energy: -308.369 where: short stacking energy: -173.675 Base-Backbone interact. energy: -0.236 local terms energy: -316.083098 where: bonds (distance) C4'-P energy: -74.610 bonds (distance) P-C4' energy: -96.140 flat angles C4'-P-C4' energy: -67.836 flat angles P-C4'-P energy: -55.649 tors. eta vs tors. theta energy: -21.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -513.970720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.970720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.970720 (E_RNA) where: Base-Base interactions energy: -255.617 where: short stacking energy: -139.572 Base-Backbone interact. energy: -1.119 local terms energy: -257.235043 where: bonds (distance) C4'-P energy: -91.113 bonds (distance) P-C4' energy: -84.075 flat angles C4'-P-C4' energy: -60.493 flat angles P-C4'-P energy: -33.854 tors. eta vs tors. theta energy: 12.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -373.316696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.316696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.316696 (E_RNA) where: Base-Base interactions energy: -132.701 where: short stacking energy: -120.486 Base-Backbone interact. energy: -0.510 local terms energy: -240.105760 where: bonds (distance) C4'-P energy: -61.526 bonds (distance) P-C4' energy: -87.364 flat angles C4'-P-C4' energy: -65.237 flat angles P-C4'-P energy: -32.654 tors. eta vs tors. theta energy: 6.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1493.038840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.038840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.038840 (E_RNA) where: Base-Base interactions energy: -1001.228 where: short stacking energy: -458.241 Base-Backbone interact. energy: -2.661 local terms energy: -489.150033 where: bonds (distance) C4'-P energy: -91.190 bonds (distance) P-C4' energy: -88.220 flat angles C4'-P-C4' energy: -109.730 flat angles P-C4'-P energy: -76.829 tors. eta vs tors. theta energy: -123.181 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: 4 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1423.666597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.666597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.666597 (E_RNA) where: Base-Base interactions energy: -933.835 where: short stacking energy: -468.459 Base-Backbone interact. energy: -0.127 local terms energy: -489.704902 where: bonds (distance) C4'-P energy: -88.812 bonds (distance) P-C4' energy: -94.894 flat angles C4'-P-C4' energy: -104.904 flat angles P-C4'-P energy: -63.385 tors. eta vs tors. theta energy: -137.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1279.222774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.222774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.222774 (E_RNA) where: Base-Base interactions energy: -818.838 where: short stacking energy: -383.016 Base-Backbone interact. energy: -3.179 local terms energy: -457.206118 where: bonds (distance) C4'-P energy: -88.044 bonds (distance) P-C4' energy: -93.458 flat angles C4'-P-C4' energy: -109.804 flat angles P-C4'-P energy: -65.102 tors. eta vs tors. theta energy: -100.797 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: 4, replica: 10 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1181.193328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.193328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.193328 (E_RNA) where: Base-Base interactions energy: -738.813 where: short stacking energy: -377.072 Base-Backbone interact. energy: -1.292 local terms energy: -441.088750 where: bonds (distance) C4'-P energy: -92.012 bonds (distance) P-C4' energy: -88.616 flat angles C4'-P-C4' energy: -91.535 flat angles P-C4'-P energy: -66.399 tors. eta vs tors. theta energy: -102.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -929.540806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.540806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.540806 (E_RNA) where: Base-Base interactions energy: -568.693 where: short stacking energy: -296.440 Base-Backbone interact. energy: -1.459 local terms energy: -359.388065 where: bonds (distance) C4'-P energy: -81.237 bonds (distance) P-C4' energy: -90.153 flat angles C4'-P-C4' energy: -79.663 flat angles P-C4'-P energy: -43.226 tors. eta vs tors. theta energy: -65.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -931.644540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.644540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.644540 (E_RNA) where: Base-Base interactions energy: -562.490 where: short stacking energy: -260.385 Base-Backbone interact. energy: -1.077 local terms energy: -368.077775 where: bonds (distance) C4'-P energy: -79.987 bonds (distance) P-C4' energy: -105.147 flat angles C4'-P-C4' energy: -82.620 flat angles P-C4'-P energy: -59.552 tors. eta vs tors. theta energy: -40.771 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: 5 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -779.003657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.003657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.003657 (E_RNA) where: Base-Base interactions energy: -429.875 where: short stacking energy: -237.940 Base-Backbone interact. energy: -0.252 local terms energy: -348.876705 where: bonds (distance) C4'-P energy: -75.055 bonds (distance) P-C4' energy: -78.233 flat angles C4'-P-C4' energy: -85.909 flat angles P-C4'-P energy: -59.240 tors. eta vs tors. theta energy: -50.440 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: 3 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -552.701150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.701150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.701150 (E_RNA) where: Base-Base interactions energy: -270.645 where: short stacking energy: -162.078 Base-Backbone interact. energy: -1.794 local terms energy: -280.261706 where: bonds (distance) C4'-P energy: -64.977 bonds (distance) P-C4' energy: -82.113 flat angles C4'-P-C4' energy: -78.735 flat angles P-C4'-P energy: -49.328 tors. eta vs tors. theta energy: -5.109 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: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -574.435834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.435834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.435834 (E_RNA) where: Base-Base interactions energy: -290.381 where: short stacking energy: -155.706 Base-Backbone interact. energy: 0.538 local terms energy: -284.592061 where: bonds (distance) C4'-P energy: -73.804 bonds (distance) P-C4' energy: -91.086 flat angles C4'-P-C4' energy: -68.984 flat angles P-C4'-P energy: -47.482 tors. eta vs tors. theta energy: -3.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -409.487664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.487664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.487664 (E_RNA) where: Base-Base interactions energy: -135.209 where: short stacking energy: -114.265 Base-Backbone interact. energy: 1.407 local terms energy: -275.686076 where: bonds (distance) C4'-P energy: -88.141 bonds (distance) P-C4' energy: -76.645 flat angles C4'-P-C4' energy: -72.224 flat angles P-C4'-P energy: -48.777 tors. eta vs tors. theta energy: 10.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1514.052621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.052621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.052621 (E_RNA) where: Base-Base interactions energy: -1022.260 where: short stacking energy: -453.515 Base-Backbone interact. energy: -3.306 local terms energy: -488.486013 where: bonds (distance) C4'-P energy: -99.508 bonds (distance) P-C4' energy: -99.766 flat angles C4'-P-C4' energy: -96.907 flat angles P-C4'-P energy: -62.807 tors. eta vs tors. theta energy: -129.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1401.030788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.030788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.030788 (E_RNA) where: Base-Base interactions energy: -894.120 where: short stacking energy: -442.585 Base-Backbone interact. energy: -0.567 local terms energy: -506.344113 where: bonds (distance) C4'-P energy: -86.882 bonds (distance) P-C4' energy: -106.261 flat angles C4'-P-C4' energy: -104.335 flat angles P-C4'-P energy: -73.194 tors. eta vs tors. theta energy: -135.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1208.258053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.258053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.258053 (E_RNA) where: Base-Base interactions energy: -744.018 where: short stacking energy: -384.846 Base-Backbone interact. energy: -1.435 local terms energy: -462.805366 where: bonds (distance) C4'-P energy: -91.104 bonds (distance) P-C4' energy: -98.122 flat angles C4'-P-C4' energy: -94.744 flat angles P-C4'-P energy: -67.901 tors. eta vs tors. theta energy: -110.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1194.779275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.779275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.779275 (E_RNA) where: Base-Base interactions energy: -756.540 where: short stacking energy: -375.573 Base-Backbone interact. energy: -3.493 local terms energy: -434.745862 where: bonds (distance) C4'-P energy: -81.995 bonds (distance) P-C4' energy: -101.189 flat angles C4'-P-C4' energy: -85.409 flat angles P-C4'-P energy: -64.977 tors. eta vs tors. theta energy: -101.176 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: 5, replica: 6 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1038.320489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.320489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.320489 (E_RNA) where: Base-Base interactions energy: -647.400 where: short stacking energy: -318.958 Base-Backbone interact. energy: -2.076 local terms energy: -388.844838 where: bonds (distance) C4'-P energy: -77.081 bonds (distance) P-C4' energy: -98.628 flat angles C4'-P-C4' energy: -78.411 flat angles P-C4'-P energy: -52.112 tors. eta vs tors. theta energy: -82.613 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: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -853.848213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.848213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.848213 (E_RNA) where: Base-Base interactions energy: -520.073 where: short stacking energy: -267.919 Base-Backbone interact. energy: -0.783 local terms energy: -332.992410 where: bonds (distance) C4'-P energy: -85.661 bonds (distance) P-C4' energy: -89.515 flat angles C4'-P-C4' energy: -73.074 flat angles P-C4'-P energy: -36.897 tors. eta vs tors. theta energy: -47.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -762.064380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.064380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.064380 (E_RNA) where: Base-Base interactions energy: -428.945 where: short stacking energy: -224.385 Base-Backbone interact. energy: -0.998 local terms energy: -332.121518 where: bonds (distance) C4'-P energy: -76.647 bonds (distance) P-C4' energy: -84.579 flat angles C4'-P-C4' energy: -75.951 flat angles P-C4'-P energy: -49.066 tors. eta vs tors. theta energy: -45.879 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: 3 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -566.352736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.352736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.352736 (E_RNA) where: Base-Base interactions energy: -277.312 where: short stacking energy: -159.244 Base-Backbone interact. energy: -1.650 local terms energy: -287.390828 where: bonds (distance) C4'-P energy: -85.270 bonds (distance) P-C4' energy: -85.851 flat angles C4'-P-C4' energy: -82.956 flat angles P-C4'-P energy: -35.366 tors. eta vs tors. theta energy: 2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -576.653123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.653123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.653123 (E_RNA) where: Base-Base interactions energy: -290.309 where: short stacking energy: -171.008 Base-Backbone interact. energy: -2.554 local terms energy: -283.790072 where: bonds (distance) C4'-P energy: -70.566 bonds (distance) P-C4' energy: -86.166 flat angles C4'-P-C4' energy: -77.226 flat angles P-C4'-P energy: -41.271 tors. eta vs tors. theta energy: -8.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -377.247565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.247565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.247565 (E_RNA) where: Base-Base interactions energy: -119.340 where: short stacking energy: -109.494 Base-Backbone interact. energy: -0.153 local terms energy: -257.754785 where: bonds (distance) C4'-P energy: -68.344 bonds (distance) P-C4' energy: -83.626 flat angles C4'-P-C4' energy: -69.390 flat angles P-C4'-P energy: -38.682 tors. eta vs tors. theta energy: 2.288 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: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1516.507313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.507313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.507313 (E_RNA) where: Base-Base interactions energy: -1014.062 where: short stacking energy: -439.010 Base-Backbone interact. energy: -1.553 local terms energy: -500.892094 where: bonds (distance) C4'-P energy: -97.911 bonds (distance) P-C4' energy: -91.480 flat angles C4'-P-C4' energy: -110.965 flat angles P-C4'-P energy: -67.788 tors. eta vs tors. theta energy: -132.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1447.539486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.539486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.539486 (E_RNA) where: Base-Base interactions energy: -962.302 where: short stacking energy: -451.389 Base-Backbone interact. energy: 2.967 local terms energy: -488.204511 where: bonds (distance) C4'-P energy: -94.335 bonds (distance) P-C4' energy: -84.629 flat angles C4'-P-C4' energy: -110.085 flat angles P-C4'-P energy: -69.500 tors. eta vs tors. theta energy: -129.655 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: 10 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1266.381955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.381955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.381955 (E_RNA) where: Base-Base interactions energy: -794.626 where: short stacking energy: -408.731 Base-Backbone interact. energy: -0.014 local terms energy: -471.741657 where: bonds (distance) C4'-P energy: -92.521 bonds (distance) P-C4' energy: -94.364 flat angles C4'-P-C4' energy: -100.910 flat angles P-C4'-P energy: -62.361 tors. eta vs tors. theta energy: -121.585 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: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1219.548025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.548025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.548025 (E_RNA) where: Base-Base interactions energy: -813.444 where: short stacking energy: -380.670 Base-Backbone interact. energy: 0.445 local terms energy: -406.548948 where: bonds (distance) C4'-P energy: -62.863 bonds (distance) P-C4' energy: -96.720 flat angles C4'-P-C4' energy: -98.894 flat angles P-C4'-P energy: -53.153 tors. eta vs tors. theta energy: -94.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1093.021489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.021489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.021489 (E_RNA) where: Base-Base interactions energy: -694.103 where: short stacking energy: -300.736 Base-Backbone interact. energy: -2.720 local terms energy: -396.198177 where: bonds (distance) C4'-P energy: -73.037 bonds (distance) P-C4' energy: -91.037 flat angles C4'-P-C4' energy: -92.461 flat angles P-C4'-P energy: -56.833 tors. eta vs tors. theta energy: -82.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -845.042680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.042680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.042680 (E_RNA) where: Base-Base interactions energy: -522.698 where: short stacking energy: -256.755 Base-Backbone interact. energy: -0.856 local terms energy: -321.488695 where: bonds (distance) C4'-P energy: -90.065 bonds (distance) P-C4' energy: -81.072 flat angles C4'-P-C4' energy: -76.574 flat angles P-C4'-P energy: -44.596 tors. eta vs tors. theta energy: -29.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -777.849210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.849210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.849210 (E_RNA) where: Base-Base interactions energy: -439.491 where: short stacking energy: -236.357 Base-Backbone interact. energy: -0.135 local terms energy: -338.222716 where: bonds (distance) C4'-P energy: -78.031 bonds (distance) P-C4' energy: -85.236 flat angles C4'-P-C4' energy: -79.195 flat angles P-C4'-P energy: -48.598 tors. eta vs tors. theta energy: -47.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -607.872661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.872661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.872661 (E_RNA) where: Base-Base interactions energy: -308.146 where: short stacking energy: -168.915 Base-Backbone interact. energy: 3.912 local terms energy: -303.638567 where: bonds (distance) C4'-P energy: -80.694 bonds (distance) P-C4' energy: -93.431 flat angles C4'-P-C4' energy: -78.539 flat angles P-C4'-P energy: -41.419 tors. eta vs tors. theta energy: -9.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -544.199319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.199319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.199319 (E_RNA) where: Base-Base interactions energy: -276.574 where: short stacking energy: -159.954 Base-Backbone interact. energy: 1.279 local terms energy: -268.903554 where: bonds (distance) C4'-P energy: -86.896 bonds (distance) P-C4' energy: -74.164 flat angles C4'-P-C4' energy: -64.620 flat angles P-C4'-P energy: -41.155 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -355.233657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.233657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.233657 (E_RNA) where: Base-Base interactions energy: -119.311 where: short stacking energy: -102.022 Base-Backbone interact. energy: -0.704 local terms energy: -235.218590 where: bonds (distance) C4'-P energy: -68.797 bonds (distance) P-C4' energy: -77.855 flat angles C4'-P-C4' energy: -68.684 flat angles P-C4'-P energy: -27.013 tors. eta vs tors. theta energy: 7.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1511.495348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.495348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.495348 (E_RNA) where: Base-Base interactions energy: -996.808 where: short stacking energy: -451.535 Base-Backbone interact. energy: -3.072 local terms energy: -511.614864 where: bonds (distance) C4'-P energy: -102.984 bonds (distance) P-C4' energy: -107.898 flat angles C4'-P-C4' energy: -113.107 flat angles P-C4'-P energy: -65.184 tors. eta vs tors. theta energy: -122.442 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: 2, replica: 4 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1429.283170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.283170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.283170 (E_RNA) where: Base-Base interactions energy: -927.328 where: short stacking energy: -433.855 Base-Backbone interact. energy: -2.728 local terms energy: -499.227055 where: bonds (distance) C4'-P energy: -95.747 bonds (distance) P-C4' energy: -90.477 flat angles C4'-P-C4' energy: -105.836 flat angles P-C4'-P energy: -70.156 tors. eta vs tors. theta energy: -137.011 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: 10 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1247.118671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.118671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.118671 (E_RNA) where: Base-Base interactions energy: -792.704 where: short stacking energy: -396.741 Base-Backbone interact. energy: -4.238 local terms energy: -450.176364 where: bonds (distance) C4'-P energy: -91.174 bonds (distance) P-C4' energy: -81.106 flat angles C4'-P-C4' energy: -103.692 flat angles P-C4'-P energy: -64.346 tors. eta vs tors. theta energy: -109.859 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: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1178.307460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.307460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.307460 (E_RNA) where: Base-Base interactions energy: -759.489 where: short stacking energy: -345.528 Base-Backbone interact. energy: -0.711 local terms energy: -418.107352 where: bonds (distance) C4'-P energy: -80.149 bonds (distance) P-C4' energy: -90.797 flat angles C4'-P-C4' energy: -97.900 flat angles P-C4'-P energy: -59.669 tors. eta vs tors. theta energy: -89.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1028.768661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.768661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.768661 (E_RNA) where: Base-Base interactions energy: -634.327 where: short stacking energy: -331.454 Base-Backbone interact. energy: 4.653 local terms energy: -399.095173 where: bonds (distance) C4'-P energy: -82.362 bonds (distance) P-C4' energy: -88.274 flat angles C4'-P-C4' energy: -86.370 flat angles P-C4'-P energy: -62.711 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: 6, replica: 7 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -865.131684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.131684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.131684 (E_RNA) where: Base-Base interactions energy: -509.348 where: short stacking energy: -256.303 Base-Backbone interact. energy: 2.270 local terms energy: -358.053884 where: bonds (distance) C4'-P energy: -84.387 bonds (distance) P-C4' energy: -84.922 flat angles C4'-P-C4' energy: -88.496 flat angles P-C4'-P energy: -46.378 tors. eta vs tors. theta energy: -53.872 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: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -755.875600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.875600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.875600 (E_RNA) where: Base-Base interactions energy: -409.678 where: short stacking energy: -222.879 Base-Backbone interact. energy: -0.678 local terms energy: -345.519338 where: bonds (distance) C4'-P energy: -81.495 bonds (distance) P-C4' energy: -87.687 flat angles C4'-P-C4' energy: -81.006 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: -38.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -629.658883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.658883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.658883 (E_RNA) where: Base-Base interactions energy: -316.919 where: short stacking energy: -188.711 Base-Backbone interact. energy: -1.764 local terms energy: -310.975874 where: bonds (distance) C4'-P energy: -85.336 bonds (distance) P-C4' energy: -88.607 flat angles C4'-P-C4' energy: -79.055 flat angles P-C4'-P energy: -36.029 tors. eta vs tors. theta energy: -21.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -538.692097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.692097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.692097 (E_RNA) where: Base-Base interactions energy: -251.420 where: short stacking energy: -157.695 Base-Backbone interact. energy: 4.110 local terms energy: -291.382238 where: bonds (distance) C4'-P energy: -78.660 bonds (distance) P-C4' energy: -88.144 flat angles C4'-P-C4' energy: -78.690 flat angles P-C4'-P energy: -41.501 tors. eta vs tors. theta energy: -4.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -402.499592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.499592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.499592 (E_RNA) where: Base-Base interactions energy: -120.132 where: short stacking energy: -107.126 Base-Backbone interact. energy: -0.942 local terms energy: -281.425848 where: bonds (distance) C4'-P energy: -89.171 bonds (distance) P-C4' energy: -80.547 flat angles C4'-P-C4' energy: -70.059 flat angles P-C4'-P energy: -57.876 tors. eta vs tors. theta energy: 16.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1485.991631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.991631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.991631 (E_RNA) where: Base-Base interactions energy: -999.984 where: short stacking energy: -410.661 Base-Backbone interact. energy: -3.070 local terms energy: -482.937969 where: bonds (distance) C4'-P energy: -93.894 bonds (distance) P-C4' energy: -95.720 flat angles C4'-P-C4' energy: -103.439 flat angles P-C4'-P energy: -77.580 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: 2, replica: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1389.508695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.508695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.508695 (E_RNA) where: Base-Base interactions energy: -908.318 where: short stacking energy: -425.987 Base-Backbone interact. energy: -4.628 local terms energy: -476.562719 where: bonds (distance) C4'-P energy: -79.493 bonds (distance) P-C4' energy: -100.147 flat angles C4'-P-C4' energy: -102.089 flat angles P-C4'-P energy: -72.579 tors. eta vs tors. theta energy: -122.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1222.390073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.390073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.390073 (E_RNA) where: Base-Base interactions energy: -784.611 where: short stacking energy: -374.436 Base-Backbone interact. energy: -2.551 local terms energy: -435.228057 where: bonds (distance) C4'-P energy: -85.669 bonds (distance) P-C4' energy: -82.217 flat angles C4'-P-C4' energy: -92.961 flat angles P-C4'-P energy: -74.004 tors. eta vs tors. theta energy: -100.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1222.922514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.922514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.922514 (E_RNA) where: Base-Base interactions energy: -810.816 where: short stacking energy: -367.159 Base-Backbone interact. energy: -1.065 local terms energy: -411.041643 where: bonds (distance) C4'-P energy: -83.485 bonds (distance) P-C4' energy: -87.268 flat angles C4'-P-C4' energy: -93.515 flat angles P-C4'-P energy: -54.801 tors. eta vs tors. theta energy: -91.972 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: 6 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -995.305684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.305684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.305684 (E_RNA) where: Base-Base interactions energy: -591.161 where: short stacking energy: -306.218 Base-Backbone interact. energy: -1.285 local terms energy: -402.859876 where: bonds (distance) C4'-P energy: -88.342 bonds (distance) P-C4' energy: -99.859 flat angles C4'-P-C4' energy: -92.510 flat angles P-C4'-P energy: -57.024 tors. eta vs tors. theta energy: -65.124 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: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -882.830461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.830461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.830461 (E_RNA) where: Base-Base interactions energy: -523.850 where: short stacking energy: -264.206 Base-Backbone interact. energy: 1.678 local terms energy: -360.658622 where: bonds (distance) C4'-P energy: -77.016 bonds (distance) P-C4' energy: -87.122 flat angles C4'-P-C4' energy: -94.692 flat angles P-C4'-P energy: -58.652 tors. eta vs tors. theta energy: -43.177 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: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -775.729755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.729755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.729755 (E_RNA) where: Base-Base interactions energy: -445.410 where: short stacking energy: -218.520 Base-Backbone interact. energy: 2.108 local terms energy: -332.428492 where: bonds (distance) C4'-P energy: -83.946 bonds (distance) P-C4' energy: -78.227 flat angles C4'-P-C4' energy: -89.047 flat angles P-C4'-P energy: -48.958 tors. eta vs tors. theta energy: -32.250 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: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -611.092476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.092476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.092476 (E_RNA) where: Base-Base interactions energy: -293.937 where: short stacking energy: -180.430 Base-Backbone interact. energy: 1.391 local terms energy: -318.545760 where: bonds (distance) C4'-P energy: -81.840 bonds (distance) P-C4' energy: -85.176 flat angles C4'-P-C4' energy: -75.638 flat angles P-C4'-P energy: -57.156 tors. eta vs tors. theta energy: -18.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -548.672503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.672503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.672503 (E_RNA) where: Base-Base interactions energy: -272.536 where: short stacking energy: -138.893 Base-Backbone interact. energy: 0.430 local terms energy: -276.566141 where: bonds (distance) C4'-P energy: -80.260 bonds (distance) P-C4' energy: -87.457 flat angles C4'-P-C4' energy: -70.151 flat angles P-C4'-P energy: -36.260 tors. eta vs tors. theta energy: -2.438 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: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -392.176256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.176256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.176256 (E_RNA) where: Base-Base interactions energy: -141.231 where: short stacking energy: -114.098 Base-Backbone interact. energy: 1.174 local terms energy: -252.119581 where: bonds (distance) C4'-P energy: -68.456 bonds (distance) P-C4' energy: -82.202 flat angles C4'-P-C4' energy: -54.085 flat angles P-C4'-P energy: -60.483 tors. eta vs tors. theta energy: 13.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1518.289013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.289013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.289013 (E_RNA) where: Base-Base interactions energy: -1002.438 where: short stacking energy: -449.759 Base-Backbone interact. energy: -0.494 local terms energy: -515.356569 where: bonds (distance) C4'-P energy: -102.263 bonds (distance) P-C4' energy: -104.934 flat angles C4'-P-C4' energy: -112.762 flat angles P-C4'-P energy: -65.271 tors. eta vs tors. theta energy: -130.127 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: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1413.235683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.235683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.235683 (E_RNA) where: Base-Base interactions energy: -905.746 where: short stacking energy: -435.421 Base-Backbone interact. energy: -2.139 local terms energy: -505.350776 where: bonds (distance) C4'-P energy: -92.898 bonds (distance) P-C4' energy: -97.838 flat angles C4'-P-C4' energy: -111.053 flat angles P-C4'-P energy: -70.618 tors. eta vs tors. theta energy: -132.944 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: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1254.974376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.974376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.974376 (E_RNA) where: Base-Base interactions energy: -826.757 where: short stacking energy: -364.351 Base-Backbone interact. energy: 1.488 local terms energy: -429.704911 where: bonds (distance) C4'-P energy: -94.895 bonds (distance) P-C4' energy: -87.295 flat angles C4'-P-C4' energy: -85.083 flat angles P-C4'-P energy: -56.556 tors. eta vs tors. theta energy: -105.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1210.548943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.548943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.548943 (E_RNA) where: Base-Base interactions energy: -779.349 where: short stacking energy: -379.531 Base-Backbone interact. energy: -1.774 local terms energy: -429.426156 where: bonds (distance) C4'-P energy: -84.427 bonds (distance) P-C4' energy: -87.670 flat angles C4'-P-C4' energy: -84.503 flat angles P-C4'-P energy: -70.653 tors. eta vs tors. theta energy: -102.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1027.889392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.889392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.889392 (E_RNA) where: Base-Base interactions energy: -643.213 where: short stacking energy: -335.856 Base-Backbone interact. energy: -1.198 local terms energy: -383.477795 where: bonds (distance) C4'-P energy: -86.618 bonds (distance) P-C4' energy: -100.621 flat angles C4'-P-C4' energy: -88.311 flat angles P-C4'-P energy: -28.757 tors. eta vs tors. theta energy: -79.171 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: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -852.183917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.183917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.183917 (E_RNA) where: Base-Base interactions energy: -510.216 where: short stacking energy: -246.561 Base-Backbone interact. energy: -2.257 local terms energy: -339.710794 where: bonds (distance) C4'-P energy: -87.772 bonds (distance) P-C4' energy: -71.064 flat angles C4'-P-C4' energy: -84.773 flat angles P-C4'-P energy: -47.599 tors. eta vs tors. theta energy: -48.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -802.033144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.033144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.033144 (E_RNA) where: Base-Base interactions energy: -461.798 where: short stacking energy: -212.355 Base-Backbone interact. energy: -2.689 local terms energy: -337.546764 where: bonds (distance) C4'-P energy: -78.754 bonds (distance) P-C4' energy: -84.690 flat angles C4'-P-C4' energy: -87.694 flat angles P-C4'-P energy: -50.843 tors. eta vs tors. theta energy: -35.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -537.961372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.961372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.961372 (E_RNA) where: Base-Base interactions energy: -258.727 where: short stacking energy: -168.991 Base-Backbone interact. energy: -1.941 local terms energy: -277.293729 where: bonds (distance) C4'-P energy: -86.153 bonds (distance) P-C4' energy: -82.258 flat angles C4'-P-C4' energy: -70.963 flat angles P-C4'-P energy: -38.410 tors. eta vs tors. theta energy: 0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -521.908647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.908647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.908647 (E_RNA) where: Base-Base interactions energy: -235.249 where: short stacking energy: -142.156 Base-Backbone interact. energy: -0.279 local terms energy: -286.380518 where: bonds (distance) C4'-P energy: -64.976 bonds (distance) P-C4' energy: -94.417 flat angles C4'-P-C4' energy: -76.622 flat angles P-C4'-P energy: -47.811 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -377.362298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.362298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.362298 (E_RNA) where: Base-Base interactions energy: -125.935 where: short stacking energy: -96.079 Base-Backbone interact. energy: -2.267 local terms energy: -249.160396 where: bonds (distance) C4'-P energy: -72.657 bonds (distance) P-C4' energy: -72.522 flat angles C4'-P-C4' energy: -66.328 flat angles P-C4'-P energy: -54.070 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: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1537.360608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.360608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.360608 (E_RNA) where: Base-Base interactions energy: -1020.215 where: short stacking energy: -471.126 Base-Backbone interact. energy: -2.302 local terms energy: -514.844104 where: bonds (distance) C4'-P energy: -95.975 bonds (distance) P-C4' energy: -89.877 flat angles C4'-P-C4' energy: -109.595 flat angles P-C4'-P energy: -77.811 tors. eta vs tors. theta energy: -141.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1400.569000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.569000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.569000 (E_RNA) where: Base-Base interactions energy: -904.062 where: short stacking energy: -441.002 Base-Backbone interact. energy: -1.688 local terms energy: -494.818820 where: bonds (distance) C4'-P energy: -88.361 bonds (distance) P-C4' energy: -92.357 flat angles C4'-P-C4' energy: -102.860 flat angles P-C4'-P energy: -73.139 tors. eta vs tors. theta energy: -138.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1285.555017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.555017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.555017 (E_RNA) where: Base-Base interactions energy: -823.193 where: short stacking energy: -390.570 Base-Backbone interact. energy: -2.130 local terms energy: -460.232282 where: bonds (distance) C4'-P energy: -82.162 bonds (distance) P-C4' energy: -97.491 flat angles C4'-P-C4' energy: -100.399 flat angles P-C4'-P energy: -67.398 tors. eta vs tors. theta energy: -112.782 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: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1150.678221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.678221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.678221 (E_RNA) where: Base-Base interactions energy: -740.809 where: short stacking energy: -340.032 Base-Backbone interact. energy: 0.445 local terms energy: -410.314744 where: bonds (distance) C4'-P energy: -83.591 bonds (distance) P-C4' energy: -91.244 flat angles C4'-P-C4' energy: -97.247 flat angles P-C4'-P energy: -56.149 tors. eta vs tors. theta energy: -82.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -980.320224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.320224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.320224 (E_RNA) where: Base-Base interactions energy: -612.547 where: short stacking energy: -298.840 Base-Backbone interact. energy: -0.791 local terms energy: -366.981437 where: bonds (distance) C4'-P energy: -91.262 bonds (distance) P-C4' energy: -90.305 flat angles C4'-P-C4' energy: -74.985 flat angles P-C4'-P energy: -50.165 tors. eta vs tors. theta energy: -60.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -860.695428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.695428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.695428 (E_RNA) where: Base-Base interactions energy: -500.082 where: short stacking energy: -255.495 Base-Backbone interact. energy: -2.011 local terms energy: -358.601857 where: bonds (distance) C4'-P energy: -85.054 bonds (distance) P-C4' energy: -75.246 flat angles C4'-P-C4' energy: -86.195 flat angles P-C4'-P energy: -62.637 tors. eta vs tors. theta energy: -49.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -792.202032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.202032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.202032 (E_RNA) where: Base-Base interactions energy: -436.946 where: short stacking energy: -228.662 Base-Backbone interact. energy: 2.624 local terms energy: -357.880384 where: bonds (distance) C4'-P energy: -66.685 bonds (distance) P-C4' energy: -92.273 flat angles C4'-P-C4' energy: -95.009 flat angles P-C4'-P energy: -65.522 tors. eta vs tors. theta energy: -38.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -615.395557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.395557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.395557 (E_RNA) where: Base-Base interactions energy: -315.507 where: short stacking energy: -186.708 Base-Backbone interact. energy: 3.240 local terms energy: -303.128610 where: bonds (distance) C4'-P energy: -75.163 bonds (distance) P-C4' energy: -92.248 flat angles C4'-P-C4' energy: -83.766 flat angles P-C4'-P energy: -32.211 tors. eta vs tors. theta energy: -19.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -515.544884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.544884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.544884 (E_RNA) where: Base-Base interactions energy: -217.705 where: short stacking energy: -147.111 Base-Backbone interact. energy: -0.916 local terms energy: -296.923587 where: bonds (distance) C4'-P energy: -91.229 bonds (distance) P-C4' energy: -80.756 flat angles C4'-P-C4' energy: -66.695 flat angles P-C4'-P energy: -50.796 tors. eta vs tors. theta energy: -7.448 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: 1 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -394.245155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.245155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.245155 (E_RNA) where: Base-Base interactions energy: -144.041 where: short stacking energy: -123.286 Base-Backbone interact. energy: 0.534 local terms energy: -250.738540 where: bonds (distance) C4'-P energy: -77.503 bonds (distance) P-C4' energy: -90.155 flat angles C4'-P-C4' energy: -65.885 flat angles P-C4'-P energy: -24.851 tors. eta vs tors. theta energy: 7.655 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: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1520.761499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.761499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.761499 (E_RNA) where: Base-Base interactions energy: -1014.367 where: short stacking energy: -454.202 Base-Backbone interact. energy: -4.401 local terms energy: -501.992930 where: bonds (distance) C4'-P energy: -96.860 bonds (distance) P-C4' energy: -96.841 flat angles C4'-P-C4' energy: -110.794 flat angles P-C4'-P energy: -63.010 tors. eta vs tors. theta energy: -134.488 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: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1419.623780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.623780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.623780 (E_RNA) where: Base-Base interactions energy: -923.619 where: short stacking energy: -466.711 Base-Backbone interact. energy: -1.984 local terms energy: -494.020797 where: bonds (distance) C4'-P energy: -90.582 bonds (distance) P-C4' energy: -101.604 flat angles C4'-P-C4' energy: -94.995 flat angles P-C4'-P energy: -66.534 tors. eta vs tors. theta energy: -140.306 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: 112 Temperature: 1.000000 Total energy: -1293.417631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.417631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.417631 (E_RNA) where: Base-Base interactions energy: -838.176 where: short stacking energy: -376.156 Base-Backbone interact. energy: 0.880 local terms energy: -456.121304 where: bonds (distance) C4'-P energy: -107.941 bonds (distance) P-C4' energy: -82.733 flat angles C4'-P-C4' energy: -88.545 flat angles P-C4'-P energy: -67.352 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: 4, replica: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1181.835189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.835189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.835189 (E_RNA) where: Base-Base interactions energy: -768.012 where: short stacking energy: -364.713 Base-Backbone interact. energy: -1.324 local terms energy: -412.499457 where: bonds (distance) C4'-P energy: -94.598 bonds (distance) P-C4' energy: -86.257 flat angles C4'-P-C4' energy: -83.826 flat angles P-C4'-P energy: -61.107 tors. eta vs tors. theta energy: -86.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -960.166717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.166717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.166717 (E_RNA) where: Base-Base interactions energy: -594.418 where: short stacking energy: -294.099 Base-Backbone interact. energy: 4.046 local terms energy: -369.794523 where: bonds (distance) C4'-P energy: -87.885 bonds (distance) P-C4' energy: -80.833 flat angles C4'-P-C4' energy: -82.695 flat angles P-C4'-P energy: -56.533 tors. eta vs tors. theta energy: -61.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -838.425092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.425092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.425092 (E_RNA) where: Base-Base interactions energy: -489.808 where: short stacking energy: -261.025 Base-Backbone interact. energy: -0.312 local terms energy: -348.304411 where: bonds (distance) C4'-P energy: -84.528 bonds (distance) P-C4' energy: -78.673 flat angles C4'-P-C4' energy: -83.703 flat angles P-C4'-P energy: -47.210 tors. eta vs tors. theta energy: -54.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -800.531352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.531352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.531352 (E_RNA) where: Base-Base interactions energy: -456.054 where: short stacking energy: -241.812 Base-Backbone interact. energy: 4.179 local terms energy: -348.656348 where: bonds (distance) C4'-P energy: -76.207 bonds (distance) P-C4' energy: -96.134 flat angles C4'-P-C4' energy: -80.646 flat angles P-C4'-P energy: -54.408 tors. eta vs tors. theta energy: -41.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -592.353197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.353197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.353197 (E_RNA) where: Base-Base interactions energy: -275.907 where: short stacking energy: -160.617 Base-Backbone interact. energy: 1.318 local terms energy: -317.764148 where: bonds (distance) C4'-P energy: -79.581 bonds (distance) P-C4' energy: -91.707 flat angles C4'-P-C4' energy: -85.643 flat angles P-C4'-P energy: -42.542 tors. eta vs tors. theta energy: -18.291 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: 3 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -498.486763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.486763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.486763 (E_RNA) where: Base-Base interactions energy: -231.329 where: short stacking energy: -145.666 Base-Backbone interact. energy: 1.059 local terms energy: -268.216367 where: bonds (distance) C4'-P energy: -68.964 bonds (distance) P-C4' energy: -85.896 flat angles C4'-P-C4' energy: -65.518 flat angles P-C4'-P energy: -42.184 tors. eta vs tors. theta energy: -5.653 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: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -375.297946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.297946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.297946 (E_RNA) where: Base-Base interactions energy: -135.006 where: short stacking energy: -104.866 Base-Backbone interact. energy: -0.568 local terms energy: -239.723645 where: bonds (distance) C4'-P energy: -65.141 bonds (distance) P-C4' energy: -74.738 flat angles C4'-P-C4' energy: -76.515 flat angles P-C4'-P energy: -42.716 tors. eta vs tors. theta energy: 19.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1501.000027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.000027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.000027 (E_RNA) where: Base-Base interactions energy: -1007.733 where: short stacking energy: -431.212 Base-Backbone interact. energy: -3.077 local terms energy: -490.190132 where: bonds (distance) C4'-P energy: -84.077 bonds (distance) P-C4' energy: -99.599 flat angles C4'-P-C4' energy: -107.601 flat angles P-C4'-P energy: -73.838 tors. eta vs tors. theta energy: -125.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1414.651214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.651214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.651214 (E_RNA) where: Base-Base interactions energy: -919.491 where: short stacking energy: -431.020 Base-Backbone interact. energy: -3.038 local terms energy: -492.122986 where: bonds (distance) C4'-P energy: -98.571 bonds (distance) P-C4' energy: -104.046 flat angles C4'-P-C4' energy: -97.319 flat angles P-C4'-P energy: -62.966 tors. eta vs tors. theta energy: -129.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1262.304514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.304514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.304514 (E_RNA) where: Base-Base interactions energy: -814.261 where: short stacking energy: -385.238 Base-Backbone interact. energy: -1.988 local terms energy: -446.055220 where: bonds (distance) C4'-P energy: -97.973 bonds (distance) P-C4' energy: -82.929 flat angles C4'-P-C4' energy: -93.902 flat angles P-C4'-P energy: -73.135 tors. eta vs tors. theta energy: -98.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1178.984834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.984834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.984834 (E_RNA) where: Base-Base interactions energy: -745.887 where: short stacking energy: -337.042 Base-Backbone interact. energy: -1.302 local terms energy: -431.796073 where: bonds (distance) C4'-P energy: -75.714 bonds (distance) P-C4' energy: -91.351 flat angles C4'-P-C4' energy: -105.532 flat angles P-C4'-P energy: -57.741 tors. eta vs tors. theta energy: -101.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -990.921621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.921621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.921621 (E_RNA) where: Base-Base interactions energy: -622.325 where: short stacking energy: -302.729 Base-Backbone interact. energy: 0.139 local terms energy: -368.734648 where: bonds (distance) C4'-P energy: -94.182 bonds (distance) P-C4' energy: -87.270 flat angles C4'-P-C4' energy: -81.000 flat angles P-C4'-P energy: -54.143 tors. eta vs tors. theta energy: -52.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -873.623309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.623309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.623309 (E_RNA) where: Base-Base interactions energy: -528.880 where: short stacking energy: -255.787 Base-Backbone interact. energy: 0.668 local terms energy: -345.411747 where: bonds (distance) C4'-P energy: -73.945 bonds (distance) P-C4' energy: -83.275 flat angles C4'-P-C4' energy: -76.399 flat angles P-C4'-P energy: -68.064 tors. eta vs tors. theta energy: -43.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -790.863797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.863797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.863797 (E_RNA) where: Base-Base interactions energy: -459.569 where: short stacking energy: -228.086 Base-Backbone interact. energy: 0.783 local terms energy: -332.078101 where: bonds (distance) C4'-P energy: -82.490 bonds (distance) P-C4' energy: -75.139 flat angles C4'-P-C4' energy: -83.005 flat angles P-C4'-P energy: -46.445 tors. eta vs tors. theta energy: -45.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -604.225720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.225720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.225720 (E_RNA) where: Base-Base interactions energy: -303.798 where: short stacking energy: -170.503 Base-Backbone interact. energy: -2.308 local terms energy: -298.119608 where: bonds (distance) C4'-P energy: -85.684 bonds (distance) P-C4' energy: -78.535 flat angles C4'-P-C4' energy: -80.501 flat angles P-C4'-P energy: -38.883 tors. eta vs tors. theta energy: -14.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -554.426219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.426219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.426219 (E_RNA) where: Base-Base interactions energy: -272.215 where: short stacking energy: -153.878 Base-Backbone interact. energy: -1.850 local terms energy: -280.361041 where: bonds (distance) C4'-P energy: -88.107 bonds (distance) P-C4' energy: -78.441 flat angles C4'-P-C4' energy: -67.761 flat angles P-C4'-P energy: -32.633 tors. eta vs tors. theta energy: -13.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -375.155093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.155093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.155093 (E_RNA) where: Base-Base interactions energy: -108.121 where: short stacking energy: -102.732 Base-Backbone interact. energy: -2.086 local terms energy: -264.947465 where: bonds (distance) C4'-P energy: -89.059 bonds (distance) P-C4' energy: -72.279 flat angles C4'-P-C4' energy: -73.067 flat angles P-C4'-P energy: -49.009 tors. eta vs tors. theta energy: 18.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1511.552124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.552124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.552124 (E_RNA) where: Base-Base interactions energy: -1012.682 where: short stacking energy: -445.869 Base-Backbone interact. energy: -2.006 local terms energy: -496.863670 where: bonds (distance) C4'-P energy: -90.040 bonds (distance) P-C4' energy: -92.790 flat angles C4'-P-C4' energy: -102.168 flat angles P-C4'-P energy: -77.480 tors. eta vs tors. theta energy: -134.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1403.487891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.487891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.487891 (E_RNA) where: Base-Base interactions energy: -941.462 where: short stacking energy: -459.760 Base-Backbone interact. energy: -0.669 local terms energy: -461.356383 where: bonds (distance) C4'-P energy: -72.455 bonds (distance) P-C4' energy: -90.780 flat angles C4'-P-C4' energy: -99.046 flat angles P-C4'-P energy: -70.251 tors. eta vs tors. theta energy: -128.825 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: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1258.457935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.457935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.457935 (E_RNA) where: Base-Base interactions energy: -797.990 where: short stacking energy: -384.826 Base-Backbone interact. energy: 4.022 local terms energy: -464.489702 where: bonds (distance) C4'-P energy: -82.058 bonds (distance) P-C4' energy: -93.192 flat angles C4'-P-C4' energy: -107.491 flat angles P-C4'-P energy: -66.616 tors. eta vs tors. theta energy: -115.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1132.593494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.593494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.593494 (E_RNA) where: Base-Base interactions energy: -724.398 where: short stacking energy: -316.228 Base-Backbone interact. energy: -0.801 local terms energy: -407.393901 where: bonds (distance) C4'-P energy: -87.967 bonds (distance) P-C4' energy: -97.815 flat angles C4'-P-C4' energy: -97.063 flat angles P-C4'-P energy: -53.145 tors. eta vs tors. theta energy: -71.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1026.780433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.780433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.780433 (E_RNA) where: Base-Base interactions energy: -631.231 where: short stacking energy: -328.127 Base-Backbone interact. energy: -2.153 local terms energy: -393.396795 where: bonds (distance) C4'-P energy: -77.662 bonds (distance) P-C4' energy: -102.074 flat angles C4'-P-C4' energy: -79.166 flat angles P-C4'-P energy: -46.889 tors. eta vs tors. theta energy: -87.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -864.283718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.283718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.283718 (E_RNA) where: Base-Base interactions energy: -506.623 where: short stacking energy: -282.593 Base-Backbone interact. energy: 3.388 local terms energy: -361.048619 where: bonds (distance) C4'-P energy: -88.115 bonds (distance) P-C4' energy: -104.346 flat angles C4'-P-C4' energy: -85.491 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -36.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -761.369035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.369035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.369035 (E_RNA) where: Base-Base interactions energy: -410.302 where: short stacking energy: -209.574 Base-Backbone interact. energy: -2.259 local terms energy: -348.808513 where: bonds (distance) C4'-P energy: -83.601 bonds (distance) P-C4' energy: -94.332 flat angles C4'-P-C4' energy: -87.364 flat angles P-C4'-P energy: -39.274 tors. eta vs tors. theta energy: -44.238 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: 3 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -594.844812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.844812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.844812 (E_RNA) where: Base-Base interactions energy: -286.651 where: short stacking energy: -163.127 Base-Backbone interact. energy: 0.258 local terms energy: -308.451751 where: bonds (distance) C4'-P energy: -89.776 bonds (distance) P-C4' energy: -89.808 flat angles C4'-P-C4' energy: -82.097 flat angles P-C4'-P energy: -41.731 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: 114 Temperature: 1.300000 Total energy: -553.593968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.593968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.593968 (E_RNA) where: Base-Base interactions energy: -255.923 where: short stacking energy: -149.734 Base-Backbone interact. energy: 2.940 local terms energy: -300.610729 where: bonds (distance) C4'-P energy: -86.599 bonds (distance) P-C4' energy: -92.989 flat angles C4'-P-C4' energy: -71.133 flat angles P-C4'-P energy: -50.139 tors. eta vs tors. theta energy: 0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -382.758400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.758400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.758400 (E_RNA) where: Base-Base interactions energy: -150.359 where: short stacking energy: -99.488 Base-Backbone interact. energy: -1.529 local terms energy: -230.870123 where: bonds (distance) C4'-P energy: -75.809 bonds (distance) P-C4' energy: -92.448 flat angles C4'-P-C4' energy: -71.540 flat angles P-C4'-P energy: -21.204 tors. eta vs tors. theta energy: 30.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1521.988591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.988591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.988591 (E_RNA) where: Base-Base interactions energy: -1034.011 where: short stacking energy: -439.167 Base-Backbone interact. energy: -4.388 local terms energy: -483.589092 where: bonds (distance) C4'-P energy: -92.162 bonds (distance) P-C4' energy: -92.366 flat angles C4'-P-C4' energy: -103.940 flat angles P-C4'-P energy: -70.962 tors. eta vs tors. theta energy: -124.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1315.636898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.636898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.636898 (E_RNA) where: Base-Base interactions energy: -833.487 where: short stacking energy: -397.966 Base-Backbone interact. energy: 2.459 local terms energy: -484.608512 where: bonds (distance) C4'-P energy: -99.223 bonds (distance) P-C4' energy: -95.315 flat angles C4'-P-C4' energy: -105.074 flat angles P-C4'-P energy: -70.496 tors. eta vs tors. theta energy: -114.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1353.604410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.604410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.604410 (E_RNA) where: Base-Base interactions energy: -853.999 where: short stacking energy: -414.029 Base-Backbone interact. energy: -5.167 local terms energy: -494.438676 where: bonds (distance) C4'-P energy: -94.855 bonds (distance) P-C4' energy: -94.068 flat angles C4'-P-C4' energy: -106.915 flat angles P-C4'-P energy: -73.098 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: 4, replica: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1143.514719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.514719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.514719 (E_RNA) where: Base-Base interactions energy: -698.754 where: short stacking energy: -317.491 Base-Backbone interact. energy: 1.679 local terms energy: -446.440195 where: bonds (distance) C4'-P energy: -98.703 bonds (distance) P-C4' energy: -108.897 flat angles C4'-P-C4' energy: -82.570 flat angles P-C4'-P energy: -68.901 tors. eta vs tors. theta energy: -87.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -990.554655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.554655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.554655 (E_RNA) where: Base-Base interactions energy: -627.105 where: short stacking energy: -318.301 Base-Backbone interact. energy: -0.300 local terms energy: -363.149228 where: bonds (distance) C4'-P energy: -74.414 bonds (distance) P-C4' energy: -79.576 flat angles C4'-P-C4' energy: -91.390 flat angles P-C4'-P energy: -57.540 tors. eta vs tors. theta energy: -60.229 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: 115 Temperature: 1.150000 Total energy: -881.907342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.907342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.907342 (E_RNA) where: Base-Base interactions energy: -530.869 where: short stacking energy: -255.120 Base-Backbone interact. energy: 2.608 local terms energy: -353.646071 where: bonds (distance) C4'-P energy: -77.738 bonds (distance) P-C4' energy: -88.975 flat angles C4'-P-C4' energy: -81.867 flat angles P-C4'-P energy: -61.859 tors. eta vs tors. theta energy: -43.207 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: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -709.826065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.826065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.826065 (E_RNA) where: Base-Base interactions energy: -388.397 where: short stacking energy: -199.852 Base-Backbone interact. energy: 6.384 local terms energy: -327.812324 where: bonds (distance) C4'-P energy: -91.515 bonds (distance) P-C4' energy: -92.725 flat angles C4'-P-C4' energy: -70.957 flat angles P-C4'-P energy: -54.358 tors. eta vs tors. theta energy: -18.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -567.546391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.546391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.546391 (E_RNA) where: Base-Base interactions energy: -299.133 where: short stacking energy: -172.156 Base-Backbone interact. energy: 0.298 local terms energy: -268.711604 where: bonds (distance) C4'-P energy: -80.406 bonds (distance) P-C4' energy: -72.891 flat angles C4'-P-C4' energy: -63.774 flat angles P-C4'-P energy: -46.766 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -557.704833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.704833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.704833 (E_RNA) where: Base-Base interactions energy: -285.095 where: short stacking energy: -167.672 Base-Backbone interact. energy: 2.392 local terms energy: -275.001925 where: bonds (distance) C4'-P energy: -70.603 bonds (distance) P-C4' energy: -75.652 flat angles C4'-P-C4' energy: -73.488 flat angles P-C4'-P energy: -37.072 tors. eta vs tors. theta energy: -18.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -382.140960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.140960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.140960 (E_RNA) where: Base-Base interactions energy: -114.923 where: short stacking energy: -101.422 Base-Backbone interact. energy: -1.586 local terms energy: -265.631745 where: bonds (distance) C4'-P energy: -84.261 bonds (distance) P-C4' energy: -81.863 flat angles C4'-P-C4' energy: -74.071 flat angles P-C4'-P energy: -37.242 tors. eta vs tors. theta energy: 11.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1494.765824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.765824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.765824 (E_RNA) where: Base-Base interactions energy: -1007.826 where: short stacking energy: -428.333 Base-Backbone interact. energy: -1.823 local terms energy: -485.117024 where: bonds (distance) C4'-P energy: -94.527 bonds (distance) P-C4' energy: -91.108 flat angles C4'-P-C4' energy: -100.723 flat angles P-C4'-P energy: -68.907 tors. eta vs tors. theta energy: -129.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1346.979993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.979993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.979993 (E_RNA) where: Base-Base interactions energy: -877.609 where: short stacking energy: -405.623 Base-Backbone interact. energy: -1.560 local terms energy: -467.810607 where: bonds (distance) C4'-P energy: -97.768 bonds (distance) P-C4' energy: -90.765 flat angles C4'-P-C4' energy: -109.702 flat angles P-C4'-P energy: -65.586 tors. eta vs tors. theta energy: -103.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1349.411790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.411790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.411790 (E_RNA) where: Base-Base interactions energy: -876.634 where: short stacking energy: -421.908 Base-Backbone interact. energy: -0.587 local terms energy: -472.189915 where: bonds (distance) C4'-P energy: -93.012 bonds (distance) P-C4' energy: -88.834 flat angles C4'-P-C4' energy: -93.158 flat angles P-C4'-P energy: -67.046 tors. eta vs tors. theta energy: -130.140 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: 10 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1181.721558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.721558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.721558 (E_RNA) where: Base-Base interactions energy: -769.133 where: short stacking energy: -375.357 Base-Backbone interact. energy: 0.068 local terms energy: -412.656618 where: bonds (distance) C4'-P energy: -79.760 bonds (distance) P-C4' energy: -82.711 flat angles C4'-P-C4' energy: -82.219 flat angles P-C4'-P energy: -57.372 tors. eta vs tors. theta energy: -110.594 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: 5, replica: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1005.993946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.993946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.993946 (E_RNA) where: Base-Base interactions energy: -623.082 where: short stacking energy: -309.255 Base-Backbone interact. energy: -3.571 local terms energy: -379.341350 where: bonds (distance) C4'-P energy: -88.666 bonds (distance) P-C4' energy: -88.740 flat angles C4'-P-C4' energy: -79.995 flat angles P-C4'-P energy: -53.789 tors. eta vs tors. theta energy: -68.151 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: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -874.923326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.923326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.923326 (E_RNA) where: Base-Base interactions energy: -521.269 where: short stacking energy: -277.787 Base-Backbone interact. energy: -0.767 local terms energy: -352.887328 where: bonds (distance) C4'-P energy: -64.412 bonds (distance) P-C4' energy: -97.308 flat angles C4'-P-C4' energy: -77.277 flat angles P-C4'-P energy: -56.723 tors. eta vs tors. theta energy: -57.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -776.633717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.633717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.633717 (E_RNA) where: Base-Base interactions energy: -451.705 where: short stacking energy: -218.895 Base-Backbone interact. energy: 0.829 local terms energy: -325.757355 where: bonds (distance) C4'-P energy: -79.614 bonds (distance) P-C4' energy: -85.864 flat angles C4'-P-C4' energy: -76.220 flat angles P-C4'-P energy: -52.036 tors. eta vs tors. theta energy: -32.023 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: 9 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -536.164241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.164241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.164241 (E_RNA) where: Base-Base interactions energy: -261.476 where: short stacking energy: -168.782 Base-Backbone interact. energy: 0.233 local terms energy: -274.921440 where: bonds (distance) C4'-P energy: -75.449 bonds (distance) P-C4' energy: -69.008 flat angles C4'-P-C4' energy: -57.021 flat angles P-C4'-P energy: -53.108 tors. eta vs tors. theta energy: -20.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -581.727056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.727056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.727056 (E_RNA) where: Base-Base interactions energy: -303.337 where: short stacking energy: -161.508 Base-Backbone interact. energy: 0.394 local terms energy: -278.784542 where: bonds (distance) C4'-P energy: -83.342 bonds (distance) P-C4' energy: -92.709 flat angles C4'-P-C4' energy: -62.815 flat angles P-C4'-P energy: -40.319 tors. eta vs tors. theta energy: 0.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -366.925905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.925905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.925905 (E_RNA) where: Base-Base interactions energy: -128.662 where: short stacking energy: -117.307 Base-Backbone interact. energy: 2.178 local terms energy: -240.442307 where: bonds (distance) C4'-P energy: -94.377 bonds (distance) P-C4' energy: -69.725 flat angles C4'-P-C4' energy: -50.034 flat angles P-C4'-P energy: -44.371 tors. eta vs tors. theta energy: 18.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1538.084330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.084330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.084330 (E_RNA) where: Base-Base interactions energy: -1037.078 where: short stacking energy: -441.715 Base-Backbone interact. energy: -2.903 local terms energy: -498.103419 where: bonds (distance) C4'-P energy: -92.199 bonds (distance) P-C4' energy: -101.133 flat angles C4'-P-C4' energy: -100.408 flat angles P-C4'-P energy: -67.298 tors. eta vs tors. theta energy: -137.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1412.723758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.723758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.723758 (E_RNA) where: Base-Base interactions energy: -929.781 where: short stacking energy: -468.042 Base-Backbone interact. energy: -0.490 local terms energy: -482.453074 where: bonds (distance) C4'-P energy: -77.001 bonds (distance) P-C4' energy: -101.402 flat angles C4'-P-C4' energy: -101.947 flat angles P-C4'-P energy: -68.265 tors. eta vs tors. theta energy: -133.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1330.942100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.942100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.942100 (E_RNA) where: Base-Base interactions energy: -856.340 where: short stacking energy: -418.346 Base-Backbone interact. energy: -1.277 local terms energy: -473.325765 where: bonds (distance) C4'-P energy: -96.834 bonds (distance) P-C4' energy: -81.775 flat angles C4'-P-C4' energy: -103.484 flat angles P-C4'-P energy: -74.157 tors. eta vs tors. theta energy: -117.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1140.649411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.649411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.649411 (E_RNA) where: Base-Base interactions energy: -731.228 where: short stacking energy: -353.211 Base-Backbone interact. energy: -0.365 local terms energy: -409.056576 where: bonds (distance) C4'-P energy: -90.316 bonds (distance) P-C4' energy: -86.334 flat angles C4'-P-C4' energy: -88.108 flat angles P-C4'-P energy: -54.402 tors. eta vs tors. theta energy: -89.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -994.627369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.627369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.627369 (E_RNA) where: Base-Base interactions energy: -622.448 where: short stacking energy: -294.469 Base-Backbone interact. energy: -3.180 local terms energy: -368.999958 where: bonds (distance) C4'-P energy: -72.256 bonds (distance) P-C4' energy: -89.534 flat angles C4'-P-C4' energy: -94.715 flat angles P-C4'-P energy: -56.317 tors. eta vs tors. theta energy: -56.178 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: 7 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -861.937580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.937580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.937580 (E_RNA) where: Base-Base interactions energy: -504.876 where: short stacking energy: -257.389 Base-Backbone interact. energy: 1.230 local terms energy: -358.292143 where: bonds (distance) C4'-P energy: -88.601 bonds (distance) P-C4' energy: -89.909 flat angles C4'-P-C4' energy: -87.949 flat angles P-C4'-P energy: -57.639 tors. eta vs tors. theta energy: -34.193 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: 7, replica: 5 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -873.124675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.124675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.124675 (E_RNA) where: Base-Base interactions energy: -522.093 where: short stacking energy: -263.273 Base-Backbone interact. energy: -0.812 local terms energy: -350.219088 where: bonds (distance) C4'-P energy: -85.406 bonds (distance) P-C4' energy: -79.193 flat angles C4'-P-C4' energy: -97.188 flat angles P-C4'-P energy: -51.736 tors. eta vs tors. theta energy: -36.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -601.813508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.813508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.813508 (E_RNA) where: Base-Base interactions energy: -315.577 where: short stacking energy: -160.173 Base-Backbone interact. energy: 4.328 local terms energy: -290.564381 where: bonds (distance) C4'-P energy: -79.599 bonds (distance) P-C4' energy: -87.912 flat angles C4'-P-C4' energy: -83.974 flat angles P-C4'-P energy: -47.777 tors. eta vs tors. theta energy: 8.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -523.433642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.433642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.433642 (E_RNA) where: Base-Base interactions energy: -237.476 where: short stacking energy: -157.839 Base-Backbone interact. energy: -0.268 local terms energy: -285.690130 where: bonds (distance) C4'-P energy: -77.490 bonds (distance) P-C4' energy: -80.738 flat angles C4'-P-C4' energy: -89.608 flat angles P-C4'-P energy: -41.667 tors. eta vs tors. theta energy: 3.814 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: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -364.319834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.319834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.319834 (E_RNA) where: Base-Base interactions energy: -119.054 where: short stacking energy: -104.395 Base-Backbone interact. energy: -0.449 local terms energy: -244.816392 where: bonds (distance) C4'-P energy: -84.299 bonds (distance) P-C4' energy: -75.482 flat angles C4'-P-C4' energy: -69.113 flat angles P-C4'-P energy: -40.121 tors. eta vs tors. theta energy: 24.199 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: 4 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1475.987318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.987318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.987318 (E_RNA) where: Base-Base interactions energy: -953.615 where: short stacking energy: -466.956 Base-Backbone interact. energy: -2.869 local terms energy: -519.502767 where: bonds (distance) C4'-P energy: -101.762 bonds (distance) P-C4' energy: -98.849 flat angles C4'-P-C4' energy: -113.928 flat angles P-C4'-P energy: -70.709 tors. eta vs tors. theta energy: -134.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1483.627449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.627449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.627449 (E_RNA) where: Base-Base interactions energy: -984.678 where: short stacking energy: -443.440 Base-Backbone interact. energy: 0.398 local terms energy: -499.347562 where: bonds (distance) C4'-P energy: -82.679 bonds (distance) P-C4' energy: -105.189 flat angles C4'-P-C4' energy: -115.256 flat angles P-C4'-P energy: -57.166 tors. eta vs tors. theta energy: -139.058 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: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1327.356699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.356699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.356699 (E_RNA) where: Base-Base interactions energy: -869.076 where: short stacking energy: -406.912 Base-Backbone interact. energy: -1.219 local terms energy: -457.061738 where: bonds (distance) C4'-P energy: -92.019 bonds (distance) P-C4' energy: -90.335 flat angles C4'-P-C4' energy: -95.231 flat angles P-C4'-P energy: -65.819 tors. eta vs tors. theta energy: -113.658 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: 4, replica: 10 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1134.284854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.284854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.284854 (E_RNA) where: Base-Base interactions energy: -679.210 where: short stacking energy: -366.817 Base-Backbone interact. energy: -0.189 local terms energy: -454.885863 where: bonds (distance) C4'-P energy: -86.351 bonds (distance) P-C4' energy: -100.038 flat angles C4'-P-C4' energy: -95.850 flat angles P-C4'-P energy: -72.891 tors. eta vs tors. theta energy: -99.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1068.502190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.502190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.502190 (E_RNA) where: Base-Base interactions energy: -661.518 where: short stacking energy: -319.453 Base-Backbone interact. energy: 0.058 local terms energy: -407.042667 where: bonds (distance) C4'-P energy: -98.725 bonds (distance) P-C4' energy: -88.959 flat angles C4'-P-C4' energy: -86.321 flat angles P-C4'-P energy: -58.515 tors. eta vs tors. theta energy: -74.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -867.767575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.767575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.767575 (E_RNA) where: Base-Base interactions energy: -505.830 where: short stacking energy: -254.394 Base-Backbone interact. energy: -0.253 local terms energy: -361.684829 where: bonds (distance) C4'-P energy: -97.203 bonds (distance) P-C4' energy: -85.208 flat angles C4'-P-C4' energy: -80.473 flat angles P-C4'-P energy: -54.370 tors. eta vs tors. theta energy: -44.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -858.261081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.261081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.261081 (E_RNA) where: Base-Base interactions energy: -530.619 where: short stacking energy: -271.108 Base-Backbone interact. energy: 3.350 local terms energy: -330.991796 where: bonds (distance) C4'-P energy: -68.449 bonds (distance) P-C4' energy: -85.058 flat angles C4'-P-C4' energy: -88.529 flat angles P-C4'-P energy: -43.438 tors. eta vs tors. theta energy: -45.517 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: 3 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -616.410553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.410553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.410553 (E_RNA) where: Base-Base interactions energy: -313.645 where: short stacking energy: -166.393 Base-Backbone interact. energy: -2.772 local terms energy: -299.993677 where: bonds (distance) C4'-P energy: -75.319 bonds (distance) P-C4' energy: -74.986 flat angles C4'-P-C4' energy: -88.303 flat angles P-C4'-P energy: -49.198 tors. eta vs tors. theta energy: -12.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -479.953328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.953328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.953328 (E_RNA) where: Base-Base interactions energy: -243.741 where: short stacking energy: -144.503 Base-Backbone interact. energy: -0.951 local terms energy: -235.261287 where: bonds (distance) C4'-P energy: -74.955 bonds (distance) P-C4' energy: -85.897 flat angles C4'-P-C4' energy: -44.456 flat angles P-C4'-P energy: -42.545 tors. eta vs tors. theta energy: 12.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -359.590696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.590696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.590696 (E_RNA) where: Base-Base interactions energy: -122.453 where: short stacking energy: -93.655 Base-Backbone interact. energy: 0.411 local terms energy: -237.548877 where: bonds (distance) C4'-P energy: -79.695 bonds (distance) P-C4' energy: -88.573 flat angles C4'-P-C4' energy: -59.579 flat angles P-C4'-P energy: -34.602 tors. eta vs tors. theta energy: 24.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1472.275545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.275545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.275545 (E_RNA) where: Base-Base interactions energy: -954.429 where: short stacking energy: -470.375 Base-Backbone interact. energy: 0.894 local terms energy: -518.740218 where: bonds (distance) C4'-P energy: -101.343 bonds (distance) P-C4' energy: -97.604 flat angles C4'-P-C4' energy: -110.912 flat angles P-C4'-P energy: -73.352 tors. eta vs tors. theta energy: -135.529 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: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1482.042678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.042678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.042678 (E_RNA) where: Base-Base interactions energy: -983.308 where: short stacking energy: -454.797 Base-Backbone interact. energy: -1.940 local terms energy: -496.794340 where: bonds (distance) C4'-P energy: -94.289 bonds (distance) P-C4' energy: -96.183 flat angles C4'-P-C4' energy: -108.343 flat angles P-C4'-P energy: -71.515 tors. eta vs tors. theta energy: -126.464 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: 119 Temperature: 1.000000 Total energy: -1291.874768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.874768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.874768 (E_RNA) where: Base-Base interactions energy: -830.704 where: short stacking energy: -371.672 Base-Backbone interact. energy: -0.541 local terms energy: -460.629428 where: bonds (distance) C4'-P energy: -91.014 bonds (distance) P-C4' energy: -101.111 flat angles C4'-P-C4' energy: -98.925 flat angles P-C4'-P energy: -63.354 tors. eta vs tors. theta energy: -106.226 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: 4, replica: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1165.018526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.018526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.018526 (E_RNA) where: Base-Base interactions energy: -748.102 where: short stacking energy: -352.571 Base-Backbone interact. energy: -1.382 local terms energy: -415.534656 where: bonds (distance) C4'-P energy: -81.995 bonds (distance) P-C4' energy: -94.334 flat angles C4'-P-C4' energy: -94.435 flat angles P-C4'-P energy: -52.876 tors. eta vs tors. theta energy: -91.895 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: 119 Temperature: 1.100000 Total energy: -1122.692108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.692108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.692108 (E_RNA) where: Base-Base interactions energy: -709.607 where: short stacking energy: -347.693 Base-Backbone interact. energy: 1.179 local terms energy: -414.264507 where: bonds (distance) C4'-P energy: -73.681 bonds (distance) P-C4' energy: -87.833 flat angles C4'-P-C4' energy: -90.707 flat angles P-C4'-P energy: -62.751 tors. eta vs tors. theta energy: -99.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -867.633076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.633076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.633076 (E_RNA) where: Base-Base interactions energy: -525.775 where: short stacking energy: -263.543 Base-Backbone interact. energy: -1.900 local terms energy: -339.957316 where: bonds (distance) C4'-P energy: -60.871 bonds (distance) P-C4' energy: -74.387 flat angles C4'-P-C4' energy: -90.557 flat angles P-C4'-P energy: -56.456 tors. eta vs tors. theta energy: -57.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -859.116501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.116501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.116501 (E_RNA) where: Base-Base interactions energy: -495.150 where: short stacking energy: -252.997 Base-Backbone interact. energy: 0.191 local terms energy: -364.158298 where: bonds (distance) C4'-P energy: -88.372 bonds (distance) P-C4' energy: -90.191 flat angles C4'-P-C4' energy: -80.763 flat angles P-C4'-P energy: -43.956 tors. eta vs tors. theta energy: -60.877 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: 3 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -600.937822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.937822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.937822 (E_RNA) where: Base-Base interactions energy: -283.795 where: short stacking energy: -178.151 Base-Backbone interact. energy: 4.808 local terms energy: -321.950882 where: bonds (distance) C4'-P energy: -81.138 bonds (distance) P-C4' energy: -92.591 flat angles C4'-P-C4' energy: -79.580 flat angles P-C4'-P energy: -56.659 tors. eta vs tors. theta energy: -11.982 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: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -481.338658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.338658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.338658 (E_RNA) where: Base-Base interactions energy: -206.539 where: short stacking energy: -143.524 Base-Backbone interact. energy: 2.936 local terms energy: -277.735033 where: bonds (distance) C4'-P energy: -70.214 bonds (distance) P-C4' energy: -83.690 flat angles C4'-P-C4' energy: -77.331 flat angles P-C4'-P energy: -47.947 tors. eta vs tors. theta energy: 1.447 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: 1 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -417.901083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.901083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.901083 (E_RNA) where: Base-Base interactions energy: -131.367 where: short stacking energy: -120.285 Base-Backbone interact. energy: 2.696 local terms energy: -289.230209 where: bonds (distance) C4'-P energy: -78.585 bonds (distance) P-C4' energy: -89.783 flat angles C4'-P-C4' energy: -82.753 flat angles P-C4'-P energy: -45.150 tors. eta vs tors. theta energy: 7.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1481.075975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.075975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.075975 (E_RNA) where: Base-Base interactions energy: -957.713 where: short stacking energy: -444.861 Base-Backbone interact. energy: 0.055 local terms energy: -523.417522 where: bonds (distance) C4'-P energy: -96.152 bonds (distance) P-C4' energy: -102.891 flat angles C4'-P-C4' energy: -117.743 flat angles P-C4'-P energy: -73.811 tors. eta vs tors. theta energy: -132.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1467.987132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.987132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.987132 (E_RNA) where: Base-Base interactions energy: -977.838 where: short stacking energy: -434.741 Base-Backbone interact. energy: -4.718 local terms energy: -485.431434 where: bonds (distance) C4'-P energy: -97.924 bonds (distance) P-C4' energy: -90.331 flat angles C4'-P-C4' energy: -100.288 flat angles P-C4'-P energy: -71.582 tors. eta vs tors. theta energy: -125.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1313.752831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.752831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.752831 (E_RNA) where: Base-Base interactions energy: -854.944 where: short stacking energy: -404.638 Base-Backbone interact. energy: -0.570 local terms energy: -458.239243 where: bonds (distance) C4'-P energy: -98.004 bonds (distance) P-C4' energy: -82.831 flat angles C4'-P-C4' energy: -99.237 flat angles P-C4'-P energy: -70.883 tors. eta vs tors. theta energy: -107.284 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: 10 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1188.373475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.373475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.373475 (E_RNA) where: Base-Base interactions energy: -738.547 where: short stacking energy: -369.111 Base-Backbone interact. energy: -1.877 local terms energy: -447.949319 where: bonds (distance) C4'-P energy: -97.970 bonds (distance) P-C4' energy: -95.700 flat angles C4'-P-C4' energy: -96.983 flat angles P-C4'-P energy: -58.107 tors. eta vs tors. theta energy: -99.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1078.360334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.360334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.360334 (E_RNA) where: Base-Base interactions energy: -677.484 where: short stacking energy: -313.379 Base-Backbone interact. energy: 2.017 local terms energy: -402.893010 where: bonds (distance) C4'-P energy: -79.179 bonds (distance) P-C4' energy: -96.284 flat angles C4'-P-C4' energy: -88.642 flat angles P-C4'-P energy: -53.297 tors. eta vs tors. theta energy: -85.491 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: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -818.469251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.469251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.469251 (E_RNA) where: Base-Base interactions energy: -481.091 where: short stacking energy: -240.472 Base-Backbone interact. energy: 0.017 local terms energy: -337.395293 where: bonds (distance) C4'-P energy: -67.756 bonds (distance) P-C4' energy: -89.509 flat angles C4'-P-C4' energy: -77.931 flat angles P-C4'-P energy: -64.541 tors. eta vs tors. theta energy: -37.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -820.570127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.570127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.570127 (E_RNA) where: Base-Base interactions energy: -470.100 where: short stacking energy: -243.116 Base-Backbone interact. energy: -2.398 local terms energy: -348.071745 where: bonds (distance) C4'-P energy: -76.559 bonds (distance) P-C4' energy: -78.705 flat angles C4'-P-C4' energy: -92.046 flat angles P-C4'-P energy: -48.647 tors. eta vs tors. theta energy: -52.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -583.507430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.507430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.507430 (E_RNA) where: Base-Base interactions energy: -285.634 where: short stacking energy: -147.037 Base-Backbone interact. energy: -1.016 local terms energy: -296.857760 where: bonds (distance) C4'-P energy: -83.136 bonds (distance) P-C4' energy: -90.280 flat angles C4'-P-C4' energy: -66.272 flat angles P-C4'-P energy: -46.676 tors. eta vs tors. theta energy: -10.494 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: 120 Temperature: 1.300000 Total energy: -400.811540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.811540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.811540 (E_RNA) where: Base-Base interactions energy: -136.213 where: short stacking energy: -108.102 Base-Backbone interact. energy: 1.368 local terms energy: -265.965864 where: bonds (distance) C4'-P energy: -88.798 bonds (distance) P-C4' energy: -80.441 flat angles C4'-P-C4' energy: -75.505 flat angles P-C4'-P energy: -35.938 tors. eta vs tors. theta energy: 14.716 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: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -359.905388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.905388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.905388 (E_RNA) where: Base-Base interactions energy: -140.505 where: short stacking energy: -110.691 Base-Backbone interact. energy: 9.089 local terms energy: -228.489401 where: bonds (distance) C4'-P energy: -60.877 bonds (distance) P-C4' energy: -85.326 flat angles C4'-P-C4' energy: -68.524 flat angles P-C4'-P energy: -36.574 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: 4 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1478.494026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.494026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.494026 (E_RNA) where: Base-Base interactions energy: -950.802 where: short stacking energy: -465.938 Base-Backbone interact. energy: -0.822 local terms energy: -526.869744 where: bonds (distance) C4'-P energy: -91.750 bonds (distance) P-C4' energy: -103.131 flat angles C4'-P-C4' energy: -119.349 flat angles P-C4'-P energy: -70.030 tors. eta vs tors. theta energy: -142.610 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: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1434.714816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.714816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.714816 (E_RNA) where: Base-Base interactions energy: -958.611 where: short stacking energy: -421.356 Base-Backbone interact. energy: -3.681 local terms energy: -472.423178 where: bonds (distance) C4'-P energy: -95.244 bonds (distance) P-C4' energy: -85.111 flat angles C4'-P-C4' energy: -104.333 flat angles P-C4'-P energy: -61.533 tors. eta vs tors. theta energy: -126.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1297.499614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.499614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.499614 (E_RNA) where: Base-Base interactions energy: -839.155 where: short stacking energy: -383.787 Base-Backbone interact. energy: -2.050 local terms energy: -456.294829 where: bonds (distance) C4'-P energy: -91.738 bonds (distance) P-C4' energy: -78.008 flat angles C4'-P-C4' energy: -108.812 flat angles P-C4'-P energy: -67.324 tors. eta vs tors. theta energy: -110.413 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: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1156.633045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.633045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.633045 (E_RNA) where: Base-Base interactions energy: -722.228 where: short stacking energy: -352.826 Base-Backbone interact. energy: -1.169 local terms energy: -433.236061 where: bonds (distance) C4'-P energy: -89.622 bonds (distance) P-C4' energy: -90.640 flat angles C4'-P-C4' energy: -102.569 flat angles P-C4'-P energy: -48.776 tors. eta vs tors. theta energy: -101.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1051.826415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.826415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.826415 (E_RNA) where: Base-Base interactions energy: -650.029 where: short stacking energy: -315.601 Base-Backbone interact. energy: -1.994 local terms energy: -399.803528 where: bonds (distance) C4'-P energy: -81.031 bonds (distance) P-C4' energy: -91.796 flat angles C4'-P-C4' energy: -93.328 flat angles P-C4'-P energy: -61.415 tors. eta vs tors. theta energy: -72.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -970.776317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.776317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.776317 (E_RNA) where: Base-Base interactions energy: -585.947 where: short stacking energy: -292.198 Base-Backbone interact. energy: 0.365 local terms energy: -385.195120 where: bonds (distance) C4'-P energy: -85.056 bonds (distance) P-C4' energy: -99.078 flat angles C4'-P-C4' energy: -88.167 flat angles P-C4'-P energy: -50.165 tors. eta vs tors. theta energy: -62.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -832.765834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.765834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.765834 (E_RNA) where: Base-Base interactions energy: -476.361 where: short stacking energy: -248.265 Base-Backbone interact. energy: -0.651 local terms energy: -355.753518 where: bonds (distance) C4'-P energy: -72.829 bonds (distance) P-C4' energy: -86.201 flat angles C4'-P-C4' energy: -78.768 flat angles P-C4'-P energy: -65.668 tors. eta vs tors. theta energy: -52.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -564.875389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.875389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.875389 (E_RNA) where: Base-Base interactions energy: -300.443 where: short stacking energy: -161.001 Base-Backbone interact. energy: 2.510 local terms energy: -266.942157 where: bonds (distance) C4'-P energy: -67.175 bonds (distance) P-C4' energy: -92.098 flat angles C4'-P-C4' energy: -69.676 flat angles P-C4'-P energy: -39.459 tors. eta vs tors. theta energy: 1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -402.152791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.152791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.152791 (E_RNA) where: Base-Base interactions energy: -163.613 where: short stacking energy: -126.285 Base-Backbone interact. energy: -2.020 local terms energy: -236.519623 where: bonds (distance) C4'-P energy: -72.506 bonds (distance) P-C4' energy: -80.240 flat angles C4'-P-C4' energy: -70.620 flat angles P-C4'-P energy: -23.927 tors. eta vs tors. theta energy: 10.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -364.864840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.864840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.864840 (E_RNA) where: Base-Base interactions energy: -118.669 where: short stacking energy: -91.523 Base-Backbone interact. energy: -1.885 local terms energy: -244.311252 where: bonds (distance) C4'-P energy: -67.732 bonds (distance) P-C4' energy: -81.184 flat angles C4'-P-C4' energy: -71.758 flat angles P-C4'-P energy: -41.324 tors. eta vs tors. theta energy: 17.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1462.653794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.653794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.653794 (E_RNA) where: Base-Base interactions energy: -952.021 where: short stacking energy: -470.113 Base-Backbone interact. energy: 1.726 local terms energy: -512.359618 where: bonds (distance) C4'-P energy: -102.748 bonds (distance) P-C4' energy: -95.923 flat angles C4'-P-C4' energy: -98.550 flat angles P-C4'-P energy: -71.771 tors. eta vs tors. theta energy: -143.368 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: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1461.074734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.074734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.074734 (E_RNA) where: Base-Base interactions energy: -991.293 where: short stacking energy: -441.305 Base-Backbone interact. energy: -1.749 local terms energy: -468.032687 where: bonds (distance) C4'-P energy: -91.026 bonds (distance) P-C4' energy: -82.495 flat angles C4'-P-C4' energy: -104.284 flat angles P-C4'-P energy: -64.869 tors. eta vs tors. theta energy: -125.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1299.812385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.812385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.812385 (E_RNA) where: Base-Base interactions energy: -866.605 where: short stacking energy: -368.049 Base-Backbone interact. energy: 3.179 local terms energy: -436.386191 where: bonds (distance) C4'-P energy: -90.125 bonds (distance) P-C4' energy: -87.670 flat angles C4'-P-C4' energy: -101.275 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: -94.768 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: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1159.951100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.951100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.951100 (E_RNA) where: Base-Base interactions energy: -743.223 where: short stacking energy: -365.124 Base-Backbone interact. energy: -1.021 local terms energy: -415.707143 where: bonds (distance) C4'-P energy: -82.345 bonds (distance) P-C4' energy: -83.524 flat angles C4'-P-C4' energy: -98.603 flat angles P-C4'-P energy: -58.201 tors. eta vs tors. theta energy: -93.033 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: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1108.553095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.553095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.553095 (E_RNA) where: Base-Base interactions energy: -709.943 where: short stacking energy: -350.989 Base-Backbone interact. energy: -2.193 local terms energy: -396.417903 where: bonds (distance) C4'-P energy: -83.451 bonds (distance) P-C4' energy: -83.370 flat angles C4'-P-C4' energy: -100.240 flat angles P-C4'-P energy: -47.361 tors. eta vs tors. theta energy: -81.996 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: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -929.481757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.481757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.481757 (E_RNA) where: Base-Base interactions energy: -583.281 where: short stacking energy: -282.796 Base-Backbone interact. energy: -1.502 local terms energy: -344.698033 where: bonds (distance) C4'-P energy: -71.823 bonds (distance) P-C4' energy: -71.866 flat angles C4'-P-C4' energy: -77.663 flat angles P-C4'-P energy: -51.775 tors. eta vs tors. theta energy: -71.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -839.324107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.324107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.324107 (E_RNA) where: Base-Base interactions energy: -483.884 where: short stacking energy: -254.854 Base-Backbone interact. energy: -1.216 local terms energy: -354.223804 where: bonds (distance) C4'-P energy: -60.498 bonds (distance) P-C4' energy: -84.667 flat angles C4'-P-C4' energy: -87.743 flat angles P-C4'-P energy: -58.617 tors. eta vs tors. theta energy: -62.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -655.809735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.809735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.809735 (E_RNA) where: Base-Base interactions energy: -359.946 where: short stacking energy: -197.311 Base-Backbone interact. energy: -1.818 local terms energy: -294.046195 where: bonds (distance) C4'-P energy: -76.884 bonds (distance) P-C4' energy: -86.889 flat angles C4'-P-C4' energy: -68.401 flat angles P-C4'-P energy: -46.676 tors. eta vs tors. theta energy: -15.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -400.596450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.596450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.596450 (E_RNA) where: Base-Base interactions energy: -143.377 where: short stacking energy: -128.549 Base-Backbone interact. energy: -2.037 local terms energy: -255.182095 where: bonds (distance) C4'-P energy: -79.785 bonds (distance) P-C4' energy: -88.593 flat angles C4'-P-C4' energy: -70.987 flat angles P-C4'-P energy: -33.583 tors. eta vs tors. theta energy: 17.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -367.286724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.286724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.286724 (E_RNA) where: Base-Base interactions energy: -133.954 where: short stacking energy: -120.149 Base-Backbone interact. energy: -1.236 local terms energy: -232.096925 where: bonds (distance) C4'-P energy: -59.645 bonds (distance) P-C4' energy: -74.507 flat angles C4'-P-C4' energy: -70.448 flat angles P-C4'-P energy: -39.789 tors. eta vs tors. theta energy: 12.293 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: 4 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1476.697123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.697123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.697123 (E_RNA) where: Base-Base interactions energy: -942.940 where: short stacking energy: -471.891 Base-Backbone interact. energy: -0.559 local terms energy: -533.197784 where: bonds (distance) C4'-P energy: -98.853 bonds (distance) P-C4' energy: -100.808 flat angles C4'-P-C4' energy: -116.019 flat angles P-C4'-P energy: -72.863 tors. eta vs tors. theta energy: -144.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1462.752452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.752452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.752452 (E_RNA) where: Base-Base interactions energy: -967.298 where: short stacking energy: -433.372 Base-Backbone interact. energy: -0.530 local terms energy: -494.925088 where: bonds (distance) C4'-P energy: -95.360 bonds (distance) P-C4' energy: -89.281 flat angles C4'-P-C4' energy: -107.094 flat angles P-C4'-P energy: -64.441 tors. eta vs tors. theta energy: -138.750 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: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1317.821002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.821002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.821002 (E_RNA) where: Base-Base interactions energy: -846.998 where: short stacking energy: -389.865 Base-Backbone interact. energy: -1.355 local terms energy: -469.467601 where: bonds (distance) C4'-P energy: -84.504 bonds (distance) P-C4' energy: -99.447 flat angles C4'-P-C4' energy: -108.835 flat angles P-C4'-P energy: -61.621 tors. eta vs tors. theta energy: -115.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1146.417786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.417786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.417786 (E_RNA) where: Base-Base interactions energy: -725.307 where: short stacking energy: -344.645 Base-Backbone interact. energy: -1.046 local terms energy: -420.064397 where: bonds (distance) C4'-P energy: -68.538 bonds (distance) P-C4' energy: -96.639 flat angles C4'-P-C4' energy: -97.791 flat angles P-C4'-P energy: -63.579 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: 5, replica: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1098.767907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.767907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.767907 (E_RNA) where: Base-Base interactions energy: -696.520 where: short stacking energy: -347.734 Base-Backbone interact. energy: -1.984 local terms energy: -400.263708 where: bonds (distance) C4'-P energy: -85.507 bonds (distance) P-C4' energy: -78.682 flat angles C4'-P-C4' energy: -95.399 flat angles P-C4'-P energy: -54.767 tors. eta vs tors. theta energy: -85.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -916.953556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.953556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.953556 (E_RNA) where: Base-Base interactions energy: -532.044 where: short stacking energy: -267.930 Base-Backbone interact. energy: -1.945 local terms energy: -382.964569 where: bonds (distance) C4'-P energy: -81.950 bonds (distance) P-C4' energy: -92.122 flat angles C4'-P-C4' energy: -86.942 flat angles P-C4'-P energy: -64.296 tors. eta vs tors. theta energy: -57.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -826.891898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.891898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.891898 (E_RNA) where: Base-Base interactions energy: -492.616 where: short stacking energy: -238.338 Base-Backbone interact. energy: -2.318 local terms energy: -331.957719 where: bonds (distance) C4'-P energy: -95.654 bonds (distance) P-C4' energy: -78.010 flat angles C4'-P-C4' energy: -78.160 flat angles P-C4'-P energy: -43.159 tors. eta vs tors. theta energy: -36.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -637.252313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.252313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.252313 (E_RNA) where: Base-Base interactions energy: -329.658 where: short stacking energy: -193.090 Base-Backbone interact. energy: -0.773 local terms energy: -306.821193 where: bonds (distance) C4'-P energy: -73.769 bonds (distance) P-C4' energy: -84.360 flat angles C4'-P-C4' energy: -83.563 flat angles P-C4'-P energy: -42.841 tors. eta vs tors. theta energy: -22.288 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: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -389.481352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.481352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.481352 (E_RNA) where: Base-Base interactions energy: -140.106 where: short stacking energy: -89.188 Base-Backbone interact. energy: -2.353 local terms energy: -247.022511 where: bonds (distance) C4'-P energy: -72.642 bonds (distance) P-C4' energy: -86.733 flat angles C4'-P-C4' energy: -73.052 flat angles P-C4'-P energy: -39.437 tors. eta vs tors. theta energy: 24.842 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: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -377.861815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.861815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.861815 (E_RNA) where: Base-Base interactions energy: -114.527 where: short stacking energy: -81.056 Base-Backbone interact. energy: 3.621 local terms energy: -266.955553 where: bonds (distance) C4'-P energy: -88.426 bonds (distance) P-C4' energy: -84.653 flat angles C4'-P-C4' energy: -71.132 flat angles P-C4'-P energy: -46.726 tors. eta vs tors. theta energy: 23.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1475.894414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.894414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.894414 (E_RNA) where: Base-Base interactions energy: -983.486 where: short stacking energy: -437.295 Base-Backbone interact. energy: -3.439 local terms energy: -488.969788 where: bonds (distance) C4'-P energy: -105.780 bonds (distance) P-C4' energy: -92.254 flat angles C4'-P-C4' energy: -93.078 flat angles P-C4'-P energy: -70.990 tors. eta vs tors. theta energy: -126.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1441.602056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.602056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.602056 (E_RNA) where: Base-Base interactions energy: -931.256 where: short stacking energy: -457.954 Base-Backbone interact. energy: -0.595 local terms energy: -509.751064 where: bonds (distance) C4'-P energy: -85.301 bonds (distance) P-C4' energy: -93.464 flat angles C4'-P-C4' energy: -117.053 flat angles P-C4'-P energy: -78.348 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: 3, replica: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1302.289329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.289329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.289329 (E_RNA) where: Base-Base interactions energy: -836.515 where: short stacking energy: -368.119 Base-Backbone interact. energy: -0.719 local terms energy: -465.055362 where: bonds (distance) C4'-P energy: -80.847 bonds (distance) P-C4' energy: -104.082 flat angles C4'-P-C4' energy: -104.219 flat angles P-C4'-P energy: -71.730 tors. eta vs tors. theta energy: -104.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1152.281898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.281898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.281898 (E_RNA) where: Base-Base interactions energy: -746.083 where: short stacking energy: -355.550 Base-Backbone interact. energy: 2.503 local terms energy: -408.701919 where: bonds (distance) C4'-P energy: -83.552 bonds (distance) P-C4' energy: -90.612 flat angles C4'-P-C4' energy: -81.161 flat angles P-C4'-P energy: -53.132 tors. eta vs tors. theta energy: -100.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1108.408784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.408784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.408784 (E_RNA) where: Base-Base interactions energy: -698.006 where: short stacking energy: -332.361 Base-Backbone interact. energy: 0.484 local terms energy: -410.886611 where: bonds (distance) C4'-P energy: -88.421 bonds (distance) P-C4' energy: -87.445 flat angles C4'-P-C4' energy: -88.082 flat angles P-C4'-P energy: -61.572 tors. eta vs tors. theta energy: -85.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -934.175292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.175292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.175292 (E_RNA) where: Base-Base interactions energy: -556.205 where: short stacking energy: -281.149 Base-Backbone interact. energy: -1.393 local terms energy: -376.577117 where: bonds (distance) C4'-P energy: -83.557 bonds (distance) P-C4' energy: -90.968 flat angles C4'-P-C4' energy: -94.591 flat angles P-C4'-P energy: -53.760 tors. eta vs tors. theta energy: -53.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -818.426934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.426934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.426934 (E_RNA) where: Base-Base interactions energy: -476.367 where: short stacking energy: -241.089 Base-Backbone interact. energy: -0.995 local terms energy: -341.064586 where: bonds (distance) C4'-P energy: -74.892 bonds (distance) P-C4' energy: -86.659 flat angles C4'-P-C4' energy: -96.981 flat angles P-C4'-P energy: -41.233 tors. eta vs tors. theta energy: -41.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -629.060820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.060820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.060820 (E_RNA) where: Base-Base interactions energy: -332.176 where: short stacking energy: -198.035 Base-Backbone interact. energy: -2.573 local terms energy: -294.312469 where: bonds (distance) C4'-P energy: -80.996 bonds (distance) P-C4' energy: -84.134 flat angles C4'-P-C4' energy: -80.708 flat angles P-C4'-P energy: -37.453 tors. eta vs tors. theta energy: -11.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -407.427604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.427604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.427604 (E_RNA) where: Base-Base interactions energy: -157.978 where: short stacking energy: -131.530 Base-Backbone interact. energy: -1.304 local terms energy: -248.145521 where: bonds (distance) C4'-P energy: -63.590 bonds (distance) P-C4' energy: -77.123 flat angles C4'-P-C4' energy: -80.637 flat angles P-C4'-P energy: -35.897 tors. eta vs tors. theta energy: 9.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -383.064277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.064277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.064277 (E_RNA) where: Base-Base interactions energy: -131.844 where: short stacking energy: -104.387 Base-Backbone interact. energy: 4.552 local terms energy: -255.772555 where: bonds (distance) C4'-P energy: -73.820 bonds (distance) P-C4' energy: -95.952 flat angles C4'-P-C4' energy: -67.652 flat angles P-C4'-P energy: -46.547 tors. eta vs tors. theta energy: 28.199 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: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1483.586606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.586606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.586606 (E_RNA) where: Base-Base interactions energy: -983.138 where: short stacking energy: -431.666 Base-Backbone interact. energy: -1.673 local terms energy: -498.775970 where: bonds (distance) C4'-P energy: -104.026 bonds (distance) P-C4' energy: -97.621 flat angles C4'-P-C4' energy: -100.076 flat angles P-C4'-P energy: -64.880 tors. eta vs tors. theta energy: -132.173 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: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1422.931460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.931460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.931460 (E_RNA) where: Base-Base interactions energy: -931.795 where: short stacking energy: -444.222 Base-Backbone interact. energy: -0.361 local terms energy: -490.774812 where: bonds (distance) C4'-P energy: -87.149 bonds (distance) P-C4' energy: -100.283 flat angles C4'-P-C4' energy: -99.603 flat angles P-C4'-P energy: -70.460 tors. eta vs tors. theta energy: -133.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1303.120587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.120587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.120587 (E_RNA) where: Base-Base interactions energy: -836.193 where: short stacking energy: -366.279 Base-Backbone interact. energy: -2.771 local terms energy: -464.156206 where: bonds (distance) C4'-P energy: -98.455 bonds (distance) P-C4' energy: -100.520 flat angles C4'-P-C4' energy: -99.059 flat angles P-C4'-P energy: -74.319 tors. eta vs tors. theta energy: -91.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1163.240754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.240754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.240754 (E_RNA) where: Base-Base interactions energy: -733.674 where: short stacking energy: -346.751 Base-Backbone interact. energy: -0.392 local terms energy: -429.174123 where: bonds (distance) C4'-P energy: -81.151 bonds (distance) P-C4' energy: -94.730 flat angles C4'-P-C4' energy: -87.596 flat angles P-C4'-P energy: -69.349 tors. eta vs tors. theta energy: -96.349 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: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1114.482492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.482492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.482492 (E_RNA) where: Base-Base interactions energy: -702.857 where: short stacking energy: -342.598 Base-Backbone interact. energy: -1.583 local terms energy: -410.042428 where: bonds (distance) C4'-P energy: -90.835 bonds (distance) P-C4' energy: -88.090 flat angles C4'-P-C4' energy: -91.281 flat angles P-C4'-P energy: -52.506 tors. eta vs tors. theta energy: -87.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -895.605374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.605374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.605374 (E_RNA) where: Base-Base interactions energy: -525.654 where: short stacking energy: -278.552 Base-Backbone interact. energy: 0.123 local terms energy: -370.073417 where: bonds (distance) C4'-P energy: -86.569 bonds (distance) P-C4' energy: -85.492 flat angles C4'-P-C4' energy: -84.241 flat angles P-C4'-P energy: -58.402 tors. eta vs tors. theta energy: -55.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -798.917788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.917788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.917788 (E_RNA) where: Base-Base interactions energy: -457.688 where: short stacking energy: -244.444 Base-Backbone interact. energy: -0.826 local terms energy: -340.404236 where: bonds (distance) C4'-P energy: -87.526 bonds (distance) P-C4' energy: -82.973 flat angles C4'-P-C4' energy: -75.728 flat angles P-C4'-P energy: -42.870 tors. eta vs tors. theta energy: -51.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -696.179106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.179106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.179106 (E_RNA) where: Base-Base interactions energy: -351.062 where: short stacking energy: -199.750 Base-Backbone interact. energy: -0.742 local terms energy: -344.375107 where: bonds (distance) C4'-P energy: -77.864 bonds (distance) P-C4' energy: -98.761 flat angles C4'-P-C4' energy: -85.240 flat angles P-C4'-P energy: -52.398 tors. eta vs tors. theta energy: -30.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -445.051694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.051694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.051694 (E_RNA) where: Base-Base interactions energy: -173.627 where: short stacking energy: -157.748 Base-Backbone interact. energy: -0.466 local terms energy: -270.958057 where: bonds (distance) C4'-P energy: -66.269 bonds (distance) P-C4' energy: -73.124 flat angles C4'-P-C4' energy: -62.970 flat angles P-C4'-P energy: -40.394 tors. eta vs tors. theta energy: -28.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -389.069112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.069112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.069112 (E_RNA) where: Base-Base interactions energy: -123.775 where: short stacking energy: -116.192 Base-Backbone interact. energy: -0.690 local terms energy: -264.603992 where: bonds (distance) C4'-P energy: -78.447 bonds (distance) P-C4' energy: -99.266 flat angles C4'-P-C4' energy: -63.643 flat angles P-C4'-P energy: -32.111 tors. eta vs tors. theta energy: 8.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1469.774706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.774706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.774706 (E_RNA) where: Base-Base interactions energy: -977.391 where: short stacking energy: -480.806 Base-Backbone interact. energy: 0.254 local terms energy: -492.637954 where: bonds (distance) C4'-P energy: -78.380 bonds (distance) P-C4' energy: -94.183 flat angles C4'-P-C4' energy: -94.996 flat angles P-C4'-P energy: -72.835 tors. eta vs tors. theta energy: -152.245 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: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1441.753528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.753528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.753528 (E_RNA) where: Base-Base interactions energy: -974.725 where: short stacking energy: -420.543 Base-Backbone interact. energy: -1.465 local terms energy: -465.563608 where: bonds (distance) C4'-P energy: -88.764 bonds (distance) P-C4' energy: -94.116 flat angles C4'-P-C4' energy: -105.469 flat angles P-C4'-P energy: -60.778 tors. eta vs tors. theta energy: -116.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1316.745916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.745916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.745916 (E_RNA) where: Base-Base interactions energy: -864.744 where: short stacking energy: -395.790 Base-Backbone interact. energy: -4.000 local terms energy: -448.001820 where: bonds (distance) C4'-P energy: -83.057 bonds (distance) P-C4' energy: -95.161 flat angles C4'-P-C4' energy: -88.896 flat angles P-C4'-P energy: -70.319 tors. eta vs tors. theta energy: -110.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1173.534930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.534930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.534930 (E_RNA) where: Base-Base interactions energy: -747.645 where: short stacking energy: -338.491 Base-Backbone interact. energy: -1.097 local terms energy: -424.793177 where: bonds (distance) C4'-P energy: -88.693 bonds (distance) P-C4' energy: -93.661 flat angles C4'-P-C4' energy: -88.742 flat angles P-C4'-P energy: -59.781 tors. eta vs tors. theta energy: -93.916 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: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1120.397708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.397708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.397708 (E_RNA) where: Base-Base interactions energy: -686.354 where: short stacking energy: -331.235 Base-Backbone interact. energy: 0.475 local terms energy: -434.519195 where: bonds (distance) C4'-P energy: -86.068 bonds (distance) P-C4' energy: -93.241 flat angles C4'-P-C4' energy: -104.133 flat angles P-C4'-P energy: -61.116 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: 6, replica: 7 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -973.434948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.434948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.434948 (E_RNA) where: Base-Base interactions energy: -617.118 where: short stacking energy: -264.903 Base-Backbone interact. energy: -0.945 local terms energy: -355.371761 where: bonds (distance) C4'-P energy: -82.221 bonds (distance) P-C4' energy: -87.852 flat angles C4'-P-C4' energy: -81.329 flat angles P-C4'-P energy: -51.379 tors. eta vs tors. theta energy: -52.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -815.998906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.998906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.998906 (E_RNA) where: Base-Base interactions energy: -487.700 where: short stacking energy: -252.580 Base-Backbone interact. energy: -1.622 local terms energy: -326.676954 where: bonds (distance) C4'-P energy: -74.580 bonds (distance) P-C4' energy: -78.649 flat angles C4'-P-C4' energy: -71.920 flat angles P-C4'-P energy: -53.190 tors. eta vs tors. theta energy: -48.338 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: 8, replica: 3 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -673.270374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.270374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.270374 (E_RNA) where: Base-Base interactions energy: -375.529 where: short stacking energy: -207.024 Base-Backbone interact. energy: -1.051 local terms energy: -296.690367 where: bonds (distance) C4'-P energy: -72.528 bonds (distance) P-C4' energy: -73.958 flat angles C4'-P-C4' energy: -79.615 flat angles P-C4'-P energy: -41.615 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: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -440.533239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.533239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.533239 (E_RNA) where: Base-Base interactions energy: -189.435 where: short stacking energy: -135.475 Base-Backbone interact. energy: -2.424 local terms energy: -248.674018 where: bonds (distance) C4'-P energy: -58.897 bonds (distance) P-C4' energy: -79.423 flat angles C4'-P-C4' energy: -80.194 flat angles P-C4'-P energy: -40.707 tors. eta vs tors. theta energy: 10.548 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: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -408.384193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.384193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.384193 (E_RNA) where: Base-Base interactions energy: -148.389 where: short stacking energy: -108.140 Base-Backbone interact. energy: -0.958 local terms energy: -259.037138 where: bonds (distance) C4'-P energy: -70.878 bonds (distance) P-C4' energy: -81.327 flat angles C4'-P-C4' energy: -60.304 flat angles P-C4'-P energy: -49.030 tors. eta vs tors. theta energy: 2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1474.487336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.487336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.487336 (E_RNA) where: Base-Base interactions energy: -951.097 where: short stacking energy: -484.717 Base-Backbone interact. energy: -4.314 local terms energy: -519.075742 where: bonds (distance) C4'-P energy: -98.392 bonds (distance) P-C4' energy: -95.838 flat angles C4'-P-C4' energy: -103.960 flat angles P-C4'-P energy: -75.808 tors. eta vs tors. theta energy: -145.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1418.126855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.126855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.126855 (E_RNA) where: Base-Base interactions energy: -954.464 where: short stacking energy: -420.146 Base-Backbone interact. energy: -1.274 local terms energy: -462.388388 where: bonds (distance) C4'-P energy: -88.442 bonds (distance) P-C4' energy: -82.253 flat angles C4'-P-C4' energy: -106.742 flat angles P-C4'-P energy: -61.384 tors. eta vs tors. theta energy: -123.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1300.370402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.370402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.370402 (E_RNA) where: Base-Base interactions energy: -864.686 where: short stacking energy: -364.916 Base-Backbone interact. energy: -2.092 local terms energy: -433.593006 where: bonds (distance) C4'-P energy: -90.238 bonds (distance) P-C4' energy: -84.976 flat angles C4'-P-C4' energy: -104.341 flat angles P-C4'-P energy: -58.434 tors. eta vs tors. theta energy: -95.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1152.419592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.419592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.419592 (E_RNA) where: Base-Base interactions energy: -742.560 where: short stacking energy: -341.654 Base-Backbone interact. energy: -0.266 local terms energy: -409.593914 where: bonds (distance) C4'-P energy: -71.741 bonds (distance) P-C4' energy: -92.011 flat angles C4'-P-C4' energy: -88.536 flat angles P-C4'-P energy: -67.316 tors. eta vs tors. theta energy: -89.990 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: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1093.440604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.440604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.440604 (E_RNA) where: Base-Base interactions energy: -668.312 where: short stacking energy: -331.742 Base-Backbone interact. energy: 0.537 local terms energy: -425.665739 where: bonds (distance) C4'-P energy: -99.219 bonds (distance) P-C4' energy: -95.718 flat angles C4'-P-C4' energy: -94.408 flat angles P-C4'-P energy: -52.570 tors. eta vs tors. theta energy: -83.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -919.371064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.371064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.371064 (E_RNA) where: Base-Base interactions energy: -538.306 where: short stacking energy: -270.841 Base-Backbone interact. energy: -3.318 local terms energy: -377.746528 where: bonds (distance) C4'-P energy: -70.279 bonds (distance) P-C4' energy: -93.120 flat angles C4'-P-C4' energy: -95.203 flat angles P-C4'-P energy: -54.067 tors. eta vs tors. theta energy: -65.077 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: 5 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -921.378491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.378491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.378491 (E_RNA) where: Base-Base interactions energy: -539.406 where: short stacking energy: -272.815 Base-Backbone interact. energy: -1.934 local terms energy: -380.038815 where: bonds (distance) C4'-P energy: -81.563 bonds (distance) P-C4' energy: -94.649 flat angles C4'-P-C4' energy: -84.853 flat angles P-C4'-P energy: -62.055 tors. eta vs tors. theta energy: -56.919 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: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -672.504717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.504717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.504717 (E_RNA) where: Base-Base interactions energy: -366.356 where: short stacking energy: -194.487 Base-Backbone interact. energy: -0.130 local terms energy: -306.018652 where: bonds (distance) C4'-P energy: -83.331 bonds (distance) P-C4' energy: -71.388 flat angles C4'-P-C4' energy: -78.067 flat angles P-C4'-P energy: -47.165 tors. eta vs tors. theta energy: -26.067 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: 9, replica: 1 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -412.632282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.632282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.632282 (E_RNA) where: Base-Base interactions energy: -138.907 where: short stacking energy: -126.183 Base-Backbone interact. energy: 2.959 local terms energy: -276.683650 where: bonds (distance) C4'-P energy: -82.049 bonds (distance) P-C4' energy: -84.797 flat angles C4'-P-C4' energy: -74.434 flat angles P-C4'-P energy: -37.429 tors. eta vs tors. theta energy: 2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -398.099707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.099707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.099707 (E_RNA) where: Base-Base interactions energy: -122.987 where: short stacking energy: -106.135 Base-Backbone interact. energy: 0.324 local terms energy: -275.436805 where: bonds (distance) C4'-P energy: -86.801 bonds (distance) P-C4' energy: -79.445 flat angles C4'-P-C4' energy: -79.062 flat angles P-C4'-P energy: -56.288 tors. eta vs tors. theta energy: 26.158 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: 4 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1482.911027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.911027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.911027 (E_RNA) where: Base-Base interactions energy: -963.622 where: short stacking energy: -454.472 Base-Backbone interact. energy: -4.888 local terms energy: -514.401826 where: bonds (distance) C4'-P energy: -98.253 bonds (distance) P-C4' energy: -107.525 flat angles C4'-P-C4' energy: -118.292 flat angles P-C4'-P energy: -61.419 tors. eta vs tors. theta energy: -128.912 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: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1450.314649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.314649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.314649 (E_RNA) where: Base-Base interactions energy: -977.911 where: short stacking energy: -452.607 Base-Backbone interact. energy: 2.529 local terms energy: -474.933517 where: bonds (distance) C4'-P energy: -88.684 bonds (distance) P-C4' energy: -92.994 flat angles C4'-P-C4' energy: -103.517 flat angles P-C4'-P energy: -60.604 tors. eta vs tors. theta energy: -129.135 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: 3, replica: 2 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1293.664405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.664405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.664405 (E_RNA) where: Base-Base interactions energy: -839.795 where: short stacking energy: -374.867 Base-Backbone interact. energy: -3.371 local terms energy: -450.498697 where: bonds (distance) C4'-P energy: -86.618 bonds (distance) P-C4' energy: -83.427 flat angles C4'-P-C4' energy: -105.250 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -98.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1153.982842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.982842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.982842 (E_RNA) where: Base-Base interactions energy: -757.700 where: short stacking energy: -318.100 Base-Backbone interact. energy: -2.191 local terms energy: -394.091492 where: bonds (distance) C4'-P energy: -72.475 bonds (distance) P-C4' energy: -84.282 flat angles C4'-P-C4' energy: -89.144 flat angles P-C4'-P energy: -63.463 tors. eta vs tors. theta energy: -84.728 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: 10 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1089.043652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.043652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.043652 (E_RNA) where: Base-Base interactions energy: -719.423 where: short stacking energy: -349.289 Base-Backbone interact. energy: -0.920 local terms energy: -368.700954 where: bonds (distance) C4'-P energy: -75.551 bonds (distance) P-C4' energy: -82.753 flat angles C4'-P-C4' energy: -79.142 flat angles P-C4'-P energy: -52.196 tors. eta vs tors. theta energy: -79.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -900.906045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.906045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.906045 (E_RNA) where: Base-Base interactions energy: -533.719 where: short stacking energy: -257.897 Base-Backbone interact. energy: -3.491 local terms energy: -363.695824 where: bonds (distance) C4'-P energy: -81.506 bonds (distance) P-C4' energy: -95.833 flat angles C4'-P-C4' energy: -85.622 flat angles P-C4'-P energy: -57.468 tors. eta vs tors. theta energy: -43.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -902.536788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.536788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.536788 (E_RNA) where: Base-Base interactions energy: -544.352 where: short stacking energy: -266.959 Base-Backbone interact. energy: 1.201 local terms energy: -359.385438 where: bonds (distance) C4'-P energy: -79.224 bonds (distance) P-C4' energy: -87.888 flat angles C4'-P-C4' energy: -81.878 flat angles P-C4'-P energy: -51.255 tors. eta vs tors. theta energy: -59.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -661.174287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.174287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.174287 (E_RNA) where: Base-Base interactions energy: -346.762 where: short stacking energy: -192.066 Base-Backbone interact. energy: 2.193 local terms energy: -316.605892 where: bonds (distance) C4'-P energy: -75.523 bonds (distance) P-C4' energy: -75.703 flat angles C4'-P-C4' energy: -82.646 flat angles P-C4'-P energy: -51.711 tors. eta vs tors. theta energy: -31.023 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: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -427.036363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.036363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.036363 (E_RNA) where: Base-Base interactions energy: -178.767 where: short stacking energy: -123.592 Base-Backbone interact. energy: -2.904 local terms energy: -245.365363 where: bonds (distance) C4'-P energy: -66.128 bonds (distance) P-C4' energy: -81.291 flat angles C4'-P-C4' energy: -63.415 flat angles P-C4'-P energy: -40.983 tors. eta vs tors. theta energy: 6.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -396.479031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.479031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.479031 (E_RNA) where: Base-Base interactions energy: -143.826 where: short stacking energy: -131.603 Base-Backbone interact. energy: -1.846 local terms energy: -250.806750 where: bonds (distance) C4'-P energy: -58.366 bonds (distance) P-C4' energy: -88.070 flat angles C4'-P-C4' energy: -45.993 flat angles P-C4'-P energy: -53.959 tors. eta vs tors. theta energy: -4.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1443.430652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.430652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.430652 (E_RNA) where: Base-Base interactions energy: -945.384 where: short stacking energy: -469.122 Base-Backbone interact. energy: -2.026 local terms energy: -496.021385 where: bonds (distance) C4'-P energy: -97.195 bonds (distance) P-C4' energy: -90.891 flat angles C4'-P-C4' energy: -101.268 flat angles P-C4'-P energy: -65.345 tors. eta vs tors. theta energy: -141.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1434.293886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.293886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.293886 (E_RNA) where: Base-Base interactions energy: -954.210 where: short stacking energy: -434.964 Base-Backbone interact. energy: 0.521 local terms energy: -480.604676 where: bonds (distance) C4'-P energy: -85.486 bonds (distance) P-C4' energy: -94.451 flat angles C4'-P-C4' energy: -99.375 flat angles P-C4'-P energy: -68.753 tors. eta vs tors. theta energy: -132.539 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: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1296.222509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.222509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.222509 (E_RNA) where: Base-Base interactions energy: -853.169 where: short stacking energy: -379.197 Base-Backbone interact. energy: -0.070 local terms energy: -442.983938 where: bonds (distance) C4'-P energy: -78.979 bonds (distance) P-C4' energy: -98.843 flat angles C4'-P-C4' energy: -103.692 flat angles P-C4'-P energy: -63.763 tors. eta vs tors. theta energy: -97.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1172.903598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.903598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.903598 (E_RNA) where: Base-Base interactions energy: -742.166 where: short stacking energy: -355.815 Base-Backbone interact. energy: 2.714 local terms energy: -433.451197 where: bonds (distance) C4'-P energy: -77.531 bonds (distance) P-C4' energy: -93.881 flat angles C4'-P-C4' energy: -102.819 flat angles P-C4'-P energy: -64.961 tors. eta vs tors. theta energy: -94.258 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: 5, replica: 10 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1092.400258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.400258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.400258 (E_RNA) where: Base-Base interactions energy: -703.226 where: short stacking energy: -353.328 Base-Backbone interact. energy: -0.560 local terms energy: -388.613728 where: bonds (distance) C4'-P energy: -91.108 bonds (distance) P-C4' energy: -79.796 flat angles C4'-P-C4' energy: -81.638 flat angles P-C4'-P energy: -54.618 tors. eta vs tors. theta energy: -81.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -916.935493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.935493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.935493 (E_RNA) where: Base-Base interactions energy: -545.436 where: short stacking energy: -283.397 Base-Backbone interact. energy: 1.777 local terms energy: -373.275869 where: bonds (distance) C4'-P energy: -93.905 bonds (distance) P-C4' energy: -75.188 flat angles C4'-P-C4' energy: -91.389 flat angles P-C4'-P energy: -59.335 tors. eta vs tors. theta energy: -53.459 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: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -857.467204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.467204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.467204 (E_RNA) where: Base-Base interactions energy: -504.011 where: short stacking energy: -257.732 Base-Backbone interact. energy: 4.699 local terms energy: -358.155906 where: bonds (distance) C4'-P energy: -68.303 bonds (distance) P-C4' energy: -75.415 flat angles C4'-P-C4' energy: -98.577 flat angles P-C4'-P energy: -61.684 tors. eta vs tors. theta energy: -54.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -618.295192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.295192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.295192 (E_RNA) where: Base-Base interactions energy: -337.427 where: short stacking energy: -183.995 Base-Backbone interact. energy: -0.549 local terms energy: -280.319368 where: bonds (distance) C4'-P energy: -69.156 bonds (distance) P-C4' energy: -93.603 flat angles C4'-P-C4' energy: -78.600 flat angles P-C4'-P energy: -29.544 tors. eta vs tors. theta energy: -9.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -377.386695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.386695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.386695 (E_RNA) where: Base-Base interactions energy: -131.838 where: short stacking energy: -97.915 Base-Backbone interact. energy: 1.080 local terms energy: -246.628511 where: bonds (distance) C4'-P energy: -67.417 bonds (distance) P-C4' energy: -84.730 flat angles C4'-P-C4' energy: -75.719 flat angles P-C4'-P energy: -43.389 tors. eta vs tors. theta energy: 24.627 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: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -370.795145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.795145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.795145 (E_RNA) where: Base-Base interactions energy: -113.632 where: short stacking energy: -99.898 Base-Backbone interact. energy: -1.739 local terms energy: -255.423815 where: bonds (distance) C4'-P energy: -86.242 bonds (distance) P-C4' energy: -83.472 flat angles C4'-P-C4' energy: -66.175 flat angles P-C4'-P energy: -38.272 tors. eta vs tors. theta energy: 18.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1480.507059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.507059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.507059 (E_RNA) where: Base-Base interactions energy: -947.049 where: short stacking energy: -454.092 Base-Backbone interact. energy: -3.406 local terms energy: -530.051849 where: bonds (distance) C4'-P energy: -101.233 bonds (distance) P-C4' energy: -100.053 flat angles C4'-P-C4' energy: -111.537 flat angles P-C4'-P energy: -76.704 tors. eta vs tors. theta energy: -140.525 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: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1452.714109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.714109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.714109 (E_RNA) where: Base-Base interactions energy: -940.621 where: short stacking energy: -413.967 Base-Backbone interact. energy: -3.687 local terms energy: -508.406286 where: bonds (distance) C4'-P energy: -105.242 bonds (distance) P-C4' energy: -92.728 flat angles C4'-P-C4' energy: -109.676 flat angles P-C4'-P energy: -69.285 tors. eta vs tors. theta energy: -131.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1307.360447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.360447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.360447 (E_RNA) where: Base-Base interactions energy: -832.215 where: short stacking energy: -377.419 Base-Backbone interact. energy: -2.713 local terms energy: -472.432603 where: bonds (distance) C4'-P energy: -92.636 bonds (distance) P-C4' energy: -98.133 flat angles C4'-P-C4' energy: -111.373 flat angles P-C4'-P energy: -69.041 tors. eta vs tors. theta energy: -101.249 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: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1193.842569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.842569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.842569 (E_RNA) where: Base-Base interactions energy: -766.584 where: short stacking energy: -350.391 Base-Backbone interact. energy: -1.824 local terms energy: -425.434614 where: bonds (distance) C4'-P energy: -83.663 bonds (distance) P-C4' energy: -87.001 flat angles C4'-P-C4' energy: -101.286 flat angles P-C4'-P energy: -64.996 tors. eta vs tors. theta energy: -88.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1069.174413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.174413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.174413 (E_RNA) where: Base-Base interactions energy: -664.173 where: short stacking energy: -294.205 Base-Backbone interact. energy: 2.183 local terms energy: -407.183528 where: bonds (distance) C4'-P energy: -78.881 bonds (distance) P-C4' energy: -105.320 flat angles C4'-P-C4' energy: -99.983 flat angles P-C4'-P energy: -49.863 tors. eta vs tors. theta energy: -73.136 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: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -935.799329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.799329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.799329 (E_RNA) where: Base-Base interactions energy: -537.849 where: short stacking energy: -262.392 Base-Backbone interact. energy: -0.017 local terms energy: -397.933300 where: bonds (distance) C4'-P energy: -98.662 bonds (distance) P-C4' energy: -81.437 flat angles C4'-P-C4' energy: -94.434 flat angles P-C4'-P energy: -60.739 tors. eta vs tors. theta energy: -62.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -862.495403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.495403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.495403 (E_RNA) where: Base-Base interactions energy: -518.638 where: short stacking energy: -251.771 Base-Backbone interact. energy: 0.533 local terms energy: -344.390324 where: bonds (distance) C4'-P energy: -81.597 bonds (distance) P-C4' energy: -88.622 flat angles C4'-P-C4' energy: -81.841 flat angles P-C4'-P energy: -49.374 tors. eta vs tors. theta energy: -42.957 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: 3 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -620.901734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.901734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.901734 (E_RNA) where: Base-Base interactions energy: -320.029 where: short stacking energy: -187.552 Base-Backbone interact. energy: 2.408 local terms energy: -303.280903 where: bonds (distance) C4'-P energy: -67.007 bonds (distance) P-C4' energy: -82.468 flat angles C4'-P-C4' energy: -82.597 flat angles P-C4'-P energy: -52.897 tors. eta vs tors. theta energy: -18.313 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: 1 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -400.223135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.223135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.223135 (E_RNA) where: Base-Base interactions energy: -132.873 where: short stacking energy: -120.922 Base-Backbone interact. energy: 3.685 local terms energy: -271.034737 where: bonds (distance) C4'-P energy: -77.106 bonds (distance) P-C4' energy: -87.527 flat angles C4'-P-C4' energy: -76.314 flat angles P-C4'-P energy: -40.497 tors. eta vs tors. theta energy: 10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -387.774827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.774827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.774827 (E_RNA) where: Base-Base interactions energy: -126.607 where: short stacking energy: -87.180 Base-Backbone interact. energy: -0.425 local terms energy: -260.742524 where: bonds (distance) C4'-P energy: -78.727 bonds (distance) P-C4' energy: -68.937 flat angles C4'-P-C4' energy: -72.854 flat angles P-C4'-P energy: -59.684 tors. eta vs tors. theta energy: 19.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1502.883826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.883826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.883826 (E_RNA) where: Base-Base interactions energy: -983.953 where: short stacking energy: -469.280 Base-Backbone interact. energy: -1.044 local terms energy: -517.886937 where: bonds (distance) C4'-P energy: -93.651 bonds (distance) P-C4' energy: -101.762 flat angles C4'-P-C4' energy: -111.586 flat angles P-C4'-P energy: -77.512 tors. eta vs tors. theta energy: -133.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1462.870903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.870903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.870903 (E_RNA) where: Base-Base interactions energy: -974.098 where: short stacking energy: -435.076 Base-Backbone interact. energy: -0.623 local terms energy: -488.149612 where: bonds (distance) C4'-P energy: -100.804 bonds (distance) P-C4' energy: -92.168 flat angles C4'-P-C4' energy: -103.068 flat angles P-C4'-P energy: -64.910 tors. eta vs tors. theta energy: -127.199 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: 131 Temperature: 1.000000 Total energy: -1291.037341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.037341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.037341 (E_RNA) where: Base-Base interactions energy: -832.347 where: short stacking energy: -377.229 Base-Backbone interact. energy: -2.015 local terms energy: -456.674868 where: bonds (distance) C4'-P energy: -82.202 bonds (distance) P-C4' energy: -103.733 flat angles C4'-P-C4' energy: -97.669 flat angles P-C4'-P energy: -73.253 tors. eta vs tors. theta energy: -99.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1209.514084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.514084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.514084 (E_RNA) where: Base-Base interactions energy: -775.776 where: short stacking energy: -333.864 Base-Backbone interact. energy: 1.555 local terms energy: -435.293425 where: bonds (distance) C4'-P energy: -91.316 bonds (distance) P-C4' energy: -83.214 flat angles C4'-P-C4' energy: -105.402 flat angles P-C4'-P energy: -66.923 tors. eta vs tors. theta energy: -88.439 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: 5, replica: 10 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1073.499162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.499162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.499162 (E_RNA) where: Base-Base interactions energy: -648.080 where: short stacking energy: -310.238 Base-Backbone interact. energy: 0.670 local terms energy: -426.090007 where: bonds (distance) C4'-P energy: -90.658 bonds (distance) P-C4' energy: -99.961 flat angles C4'-P-C4' energy: -88.654 flat angles P-C4'-P energy: -61.646 tors. eta vs tors. theta energy: -85.172 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: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -930.280902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.280902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.280902 (E_RNA) where: Base-Base interactions energy: -557.097 where: short stacking energy: -288.321 Base-Backbone interact. energy: -0.279 local terms energy: -372.904870 where: bonds (distance) C4'-P energy: -82.371 bonds (distance) P-C4' energy: -87.710 flat angles C4'-P-C4' energy: -99.340 flat angles P-C4'-P energy: -48.104 tors. eta vs tors. theta energy: -55.379 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: 5 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -885.747751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.747751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.747751 (E_RNA) where: Base-Base interactions energy: -517.144 where: short stacking energy: -257.464 Base-Backbone interact. energy: -1.293 local terms energy: -367.310901 where: bonds (distance) C4'-P energy: -85.845 bonds (distance) P-C4' energy: -89.606 flat angles C4'-P-C4' energy: -89.187 flat angles P-C4'-P energy: -55.334 tors. eta vs tors. theta energy: -47.339 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: 3 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -659.546662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.546662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.546662 (E_RNA) where: Base-Base interactions energy: -354.716 where: short stacking energy: -184.635 Base-Backbone interact. energy: 1.827 local terms energy: -306.658134 where: bonds (distance) C4'-P energy: -82.278 bonds (distance) P-C4' energy: -76.812 flat angles C4'-P-C4' energy: -85.851 flat angles P-C4'-P energy: -43.654 tors. eta vs tors. theta energy: -18.063 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: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -391.182459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.182459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.182459 (E_RNA) where: Base-Base interactions energy: -134.027 where: short stacking energy: -112.899 Base-Backbone interact. energy: 2.229 local terms energy: -259.384742 where: bonds (distance) C4'-P energy: -71.496 bonds (distance) P-C4' energy: -83.435 flat angles C4'-P-C4' energy: -73.552 flat angles P-C4'-P energy: -50.213 tors. eta vs tors. theta energy: 19.310 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: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -367.325594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.325594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.325594 (E_RNA) where: Base-Base interactions energy: -113.746 where: short stacking energy: -100.637 Base-Backbone interact. energy: 1.189 local terms energy: -254.768336 where: bonds (distance) C4'-P energy: -68.658 bonds (distance) P-C4' energy: -82.913 flat angles C4'-P-C4' energy: -63.626 flat angles P-C4'-P energy: -36.921 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1508.376717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.376717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.376717 (E_RNA) where: Base-Base interactions energy: -1012.451 where: short stacking energy: -457.154 Base-Backbone interact. energy: -2.857 local terms energy: -493.067865 where: bonds (distance) C4'-P energy: -99.214 bonds (distance) P-C4' energy: -93.901 flat angles C4'-P-C4' energy: -93.312 flat angles P-C4'-P energy: -66.686 tors. eta vs tors. theta energy: -139.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1450.403215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.403215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.403215 (E_RNA) where: Base-Base interactions energy: -981.756 where: short stacking energy: -467.736 Base-Backbone interact. energy: -2.304 local terms energy: -466.343409 where: bonds (distance) C4'-P energy: -92.092 bonds (distance) P-C4' energy: -86.514 flat angles C4'-P-C4' energy: -96.364 flat angles P-C4'-P energy: -64.710 tors. eta vs tors. theta energy: -126.664 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: 3, replica: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1312.098593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.098593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.098593 (E_RNA) where: Base-Base interactions energy: -868.413 where: short stacking energy: -382.398 Base-Backbone interact. energy: -1.781 local terms energy: -441.904635 where: bonds (distance) C4'-P energy: -88.172 bonds (distance) P-C4' energy: -100.518 flat angles C4'-P-C4' energy: -91.820 flat angles P-C4'-P energy: -58.969 tors. eta vs tors. theta energy: -102.424 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: 132 Temperature: 1.050000 Total energy: -1205.430415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.430415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.430415 (E_RNA) where: Base-Base interactions energy: -775.528 where: short stacking energy: -355.666 Base-Backbone interact. energy: -1.870 local terms energy: -428.032956 where: bonds (distance) C4'-P energy: -78.070 bonds (distance) P-C4' energy: -92.249 flat angles C4'-P-C4' energy: -94.065 flat angles P-C4'-P energy: -70.474 tors. eta vs tors. theta energy: -93.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1086.350333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.350333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.350333 (E_RNA) where: Base-Base interactions energy: -668.505 where: short stacking energy: -334.297 Base-Backbone interact. energy: -1.212 local terms energy: -416.633283 where: bonds (distance) C4'-P energy: -80.261 bonds (distance) P-C4' energy: -92.677 flat angles C4'-P-C4' energy: -84.846 flat angles P-C4'-P energy: -65.825 tors. eta vs tors. theta energy: -93.024 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: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -895.628104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.628104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.628104 (E_RNA) where: Base-Base interactions energy: -536.593 where: short stacking energy: -264.807 Base-Backbone interact. energy: 1.178 local terms energy: -360.212313 where: bonds (distance) C4'-P energy: -83.130 bonds (distance) P-C4' energy: -84.932 flat angles C4'-P-C4' energy: -78.202 flat angles P-C4'-P energy: -57.778 tors. eta vs tors. theta energy: -56.171 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: 7, replica: 5 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -845.343242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.343242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.343242 (E_RNA) where: Base-Base interactions energy: -489.776 where: short stacking energy: -246.037 Base-Backbone interact. energy: -0.178 local terms energy: -355.389730 where: bonds (distance) C4'-P energy: -97.605 bonds (distance) P-C4' energy: -69.685 flat angles C4'-P-C4' energy: -94.193 flat angles P-C4'-P energy: -64.196 tors. eta vs tors. theta energy: -29.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -674.272989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.272989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.272989 (E_RNA) where: Base-Base interactions energy: -367.790 where: short stacking energy: -194.686 Base-Backbone interact. energy: -0.448 local terms energy: -306.034565 where: bonds (distance) C4'-P energy: -91.325 bonds (distance) P-C4' energy: -76.620 flat angles C4'-P-C4' energy: -64.419 flat angles P-C4'-P energy: -50.460 tors. eta vs tors. theta energy: -23.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -398.283525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.283525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.283525 (E_RNA) where: Base-Base interactions energy: -126.763 where: short stacking energy: -116.171 Base-Backbone interact. energy: 5.137 local terms energy: -276.657866 where: bonds (distance) C4'-P energy: -81.677 bonds (distance) P-C4' energy: -100.644 flat angles C4'-P-C4' energy: -55.192 flat angles P-C4'-P energy: -37.047 tors. eta vs tors. theta energy: -2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -389.810449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.810449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.810449 (E_RNA) where: Base-Base interactions energy: -150.254 where: short stacking energy: -123.177 Base-Backbone interact. energy: -0.440 local terms energy: -239.116103 where: bonds (distance) C4'-P energy: -80.024 bonds (distance) P-C4' energy: -78.075 flat angles C4'-P-C4' energy: -57.625 flat angles P-C4'-P energy: -38.845 tors. eta vs tors. theta energy: 15.454 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: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1515.655966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.655966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.655966 (E_RNA) where: Base-Base interactions energy: -996.092 where: short stacking energy: -464.899 Base-Backbone interact. energy: -3.761 local terms energy: -515.802986 where: bonds (distance) C4'-P energy: -107.335 bonds (distance) P-C4' energy: -99.033 flat angles C4'-P-C4' energy: -104.546 flat angles P-C4'-P energy: -61.939 tors. eta vs tors. theta energy: -142.949 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: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1447.632810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.632810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.632810 (E_RNA) where: Base-Base interactions energy: -954.314 where: short stacking energy: -459.490 Base-Backbone interact. energy: 2.943 local terms energy: -496.261917 where: bonds (distance) C4'-P energy: -97.964 bonds (distance) P-C4' energy: -93.121 flat angles C4'-P-C4' energy: -101.611 flat angles P-C4'-P energy: -67.995 tors. eta vs tors. theta energy: -135.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1300.935495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.935495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.935495 (E_RNA) where: Base-Base interactions energy: -853.257 where: short stacking energy: -385.852 Base-Backbone interact. energy: -3.686 local terms energy: -443.992153 where: bonds (distance) C4'-P energy: -83.879 bonds (distance) P-C4' energy: -89.551 flat angles C4'-P-C4' energy: -100.745 flat angles P-C4'-P energy: -68.610 tors. eta vs tors. theta energy: -101.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1192.119104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.119104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.119104 (E_RNA) where: Base-Base interactions energy: -733.406 where: short stacking energy: -331.909 Base-Backbone interact. energy: -0.637 local terms energy: -458.076031 where: bonds (distance) C4'-P energy: -83.808 bonds (distance) P-C4' energy: -99.844 flat angles C4'-P-C4' energy: -104.028 flat angles P-C4'-P energy: -74.981 tors. eta vs tors. theta energy: -95.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1061.151457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.151457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.151457 (E_RNA) where: Base-Base interactions energy: -676.099 where: short stacking energy: -314.499 Base-Backbone interact. energy: -2.034 local terms energy: -383.017763 where: bonds (distance) C4'-P energy: -91.322 bonds (distance) P-C4' energy: -68.943 flat angles C4'-P-C4' energy: -94.292 flat angles P-C4'-P energy: -47.633 tors. eta vs tors. theta energy: -80.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -953.684727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.684727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.684727 (E_RNA) where: Base-Base interactions energy: -599.556 where: short stacking energy: -284.575 Base-Backbone interact. energy: 2.324 local terms energy: -356.452405 where: bonds (distance) C4'-P energy: -67.923 bonds (distance) P-C4' energy: -84.665 flat angles C4'-P-C4' energy: -93.433 flat angles P-C4'-P energy: -54.113 tors. eta vs tors. theta energy: -56.317 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: 5 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -857.515739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.515739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.515739 (E_RNA) where: Base-Base interactions energy: -497.283 where: short stacking energy: -247.901 Base-Backbone interact. energy: -1.896 local terms energy: -358.335838 where: bonds (distance) C4'-P energy: -79.525 bonds (distance) P-C4' energy: -75.009 flat angles C4'-P-C4' energy: -83.957 flat angles P-C4'-P energy: -58.065 tors. eta vs tors. theta energy: -61.780 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: 8, replica: 3 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -688.036786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.036786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.036786 (E_RNA) where: Base-Base interactions energy: -377.170 where: short stacking energy: -195.308 Base-Backbone interact. energy: 0.638 local terms energy: -311.504939 where: bonds (distance) C4'-P energy: -83.220 bonds (distance) P-C4' energy: -87.244 flat angles C4'-P-C4' energy: -70.417 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -15.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -396.491524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.491524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.491524 (E_RNA) where: Base-Base interactions energy: -138.622 where: short stacking energy: -108.313 Base-Backbone interact. energy: -1.546 local terms energy: -256.323650 where: bonds (distance) C4'-P energy: -60.595 bonds (distance) P-C4' energy: -93.713 flat angles C4'-P-C4' energy: -80.558 flat angles P-C4'-P energy: -42.724 tors. eta vs tors. theta energy: 21.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -361.188089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.188089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.188089 (E_RNA) where: Base-Base interactions energy: -152.670 where: short stacking energy: -123.217 Base-Backbone interact. energy: 3.983 local terms energy: -212.501220 where: bonds (distance) C4'-P energy: -56.898 bonds (distance) P-C4' energy: -82.460 flat angles C4'-P-C4' energy: -55.225 flat angles P-C4'-P energy: -24.989 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: 8 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1495.960149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.960149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.960149 (E_RNA) where: Base-Base interactions energy: -961.840 where: short stacking energy: -438.416 Base-Backbone interact. energy: -4.936 local terms energy: -529.183897 where: bonds (distance) C4'-P energy: -99.616 bonds (distance) P-C4' energy: -99.398 flat angles C4'-P-C4' energy: -108.107 flat angles P-C4'-P energy: -76.343 tors. eta vs tors. theta energy: -145.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1435.857137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.857137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.857137 (E_RNA) where: Base-Base interactions energy: -930.753 where: short stacking energy: -471.751 Base-Backbone interact. energy: -0.805 local terms energy: -504.299729 where: bonds (distance) C4'-P energy: -84.086 bonds (distance) P-C4' energy: -92.130 flat angles C4'-P-C4' energy: -109.804 flat angles P-C4'-P energy: -68.780 tors. eta vs tors. theta energy: -149.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1309.701830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.701830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.701830 (E_RNA) where: Base-Base interactions energy: -852.933 where: short stacking energy: -377.571 Base-Backbone interact. energy: -2.221 local terms energy: -454.547756 where: bonds (distance) C4'-P energy: -92.222 bonds (distance) P-C4' energy: -94.288 flat angles C4'-P-C4' energy: -102.123 flat angles P-C4'-P energy: -57.538 tors. eta vs tors. theta energy: -108.378 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: 4, replica: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1207.716321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.716321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.716321 (E_RNA) where: Base-Base interactions energy: -774.051 where: short stacking energy: -361.067 Base-Backbone interact. energy: 0.508 local terms energy: -434.172581 where: bonds (distance) C4'-P energy: -98.580 bonds (distance) P-C4' energy: -95.361 flat angles C4'-P-C4' energy: -82.992 flat angles P-C4'-P energy: -59.331 tors. eta vs tors. theta energy: -97.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1050.630385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.630385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.630385 (E_RNA) where: Base-Base interactions energy: -659.461 where: short stacking energy: -321.510 Base-Backbone interact. energy: -0.275 local terms energy: -390.894193 where: bonds (distance) C4'-P energy: -80.740 bonds (distance) P-C4' energy: -80.508 flat angles C4'-P-C4' energy: -99.709 flat angles P-C4'-P energy: -57.460 tors. eta vs tors. theta energy: -72.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -892.500104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.500104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.500104 (E_RNA) where: Base-Base interactions energy: -532.168 where: short stacking energy: -251.329 Base-Backbone interact. energy: 4.022 local terms energy: -364.354613 where: bonds (distance) C4'-P energy: -89.525 bonds (distance) P-C4' energy: -87.539 flat angles C4'-P-C4' energy: -94.963 flat angles P-C4'-P energy: -50.855 tors. eta vs tors. theta energy: -41.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -860.415617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.415617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.415617 (E_RNA) where: Base-Base interactions energy: -508.407 where: short stacking energy: -244.915 Base-Backbone interact. energy: -0.084 local terms energy: -351.924651 where: bonds (distance) C4'-P energy: -77.065 bonds (distance) P-C4' energy: -92.546 flat angles C4'-P-C4' energy: -83.557 flat angles P-C4'-P energy: -64.264 tors. eta vs tors. theta energy: -34.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -665.778318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.778318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.778318 (E_RNA) where: Base-Base interactions energy: -359.588 where: short stacking energy: -156.868 Base-Backbone interact. energy: 0.329 local terms energy: -306.519726 where: bonds (distance) C4'-P energy: -84.313 bonds (distance) P-C4' energy: -89.940 flat angles C4'-P-C4' energy: -71.020 flat angles P-C4'-P energy: -54.948 tors. eta vs tors. theta energy: -6.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -417.186072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.186072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.186072 (E_RNA) where: Base-Base interactions energy: -148.874 where: short stacking energy: -140.114 Base-Backbone interact. energy: 1.945 local terms energy: -270.257392 where: bonds (distance) C4'-P energy: -78.451 bonds (distance) P-C4' energy: -78.606 flat angles C4'-P-C4' energy: -70.366 flat angles P-C4'-P energy: -49.231 tors. eta vs tors. theta energy: 6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -376.988296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.988296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.988296 (E_RNA) where: Base-Base interactions energy: -120.310 where: short stacking energy: -106.730 Base-Backbone interact. energy: -2.368 local terms energy: -254.309532 where: bonds (distance) C4'-P energy: -89.314 bonds (distance) P-C4' energy: -79.878 flat angles C4'-P-C4' energy: -66.778 flat angles P-C4'-P energy: -36.355 tors. eta vs tors. theta energy: 18.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1505.518436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.518436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.518436 (E_RNA) where: Base-Base interactions energy: -981.890 where: short stacking energy: -466.974 Base-Backbone interact. energy: -4.959 local terms energy: -518.669476 where: bonds (distance) C4'-P energy: -95.703 bonds (distance) P-C4' energy: -95.073 flat angles C4'-P-C4' energy: -109.744 flat angles P-C4'-P energy: -77.710 tors. eta vs tors. theta energy: -140.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1446.553059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.553059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.553059 (E_RNA) where: Base-Base interactions energy: -930.373 where: short stacking energy: -457.590 Base-Backbone interact. energy: -1.310 local terms energy: -514.869904 where: bonds (distance) C4'-P energy: -98.301 bonds (distance) P-C4' energy: -92.419 flat angles C4'-P-C4' energy: -113.993 flat angles P-C4'-P energy: -73.032 tors. eta vs tors. theta energy: -137.125 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: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1340.686092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.686092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.686092 (E_RNA) where: Base-Base interactions energy: -886.410 where: short stacking energy: -397.797 Base-Backbone interact. energy: 1.642 local terms energy: -455.918602 where: bonds (distance) C4'-P energy: -98.220 bonds (distance) P-C4' energy: -85.428 flat angles C4'-P-C4' energy: -97.307 flat angles P-C4'-P energy: -63.484 tors. eta vs tors. theta energy: -111.479 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: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1211.072472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.072472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.072472 (E_RNA) where: Base-Base interactions energy: -767.680 where: short stacking energy: -385.301 Base-Backbone interact. energy: -2.841 local terms energy: -440.550928 where: bonds (distance) C4'-P energy: -87.335 bonds (distance) P-C4' energy: -94.488 flat angles C4'-P-C4' energy: -94.293 flat angles P-C4'-P energy: -61.993 tors. eta vs tors. theta energy: -102.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1078.984250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.984250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.984250 (E_RNA) where: Base-Base interactions energy: -659.129 where: short stacking energy: -316.865 Base-Backbone interact. energy: -0.349 local terms energy: -419.506488 where: bonds (distance) C4'-P energy: -88.620 bonds (distance) P-C4' energy: -90.752 flat angles C4'-P-C4' energy: -97.003 flat angles P-C4'-P energy: -54.533 tors. eta vs tors. theta energy: -88.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -937.474958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.474958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.474958 (E_RNA) where: Base-Base interactions energy: -555.556 where: short stacking energy: -264.506 Base-Backbone interact. energy: -0.852 local terms energy: -381.067180 where: bonds (distance) C4'-P energy: -94.569 bonds (distance) P-C4' energy: -85.076 flat angles C4'-P-C4' energy: -87.957 flat angles P-C4'-P energy: -51.604 tors. eta vs tors. theta energy: -61.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -837.379090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.379090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.379090 (E_RNA) where: Base-Base interactions energy: -512.293 where: short stacking energy: -260.070 Base-Backbone interact. energy: -1.048 local terms energy: -324.037638 where: bonds (distance) C4'-P energy: -82.638 bonds (distance) P-C4' energy: -86.237 flat angles C4'-P-C4' energy: -76.984 flat angles P-C4'-P energy: -38.707 tors. eta vs tors. theta energy: -39.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -689.602880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.602880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.602880 (E_RNA) where: Base-Base interactions energy: -379.200 where: short stacking energy: -193.192 Base-Backbone interact. energy: 1.736 local terms energy: -312.138589 where: bonds (distance) C4'-P energy: -84.525 bonds (distance) P-C4' energy: -90.597 flat angles C4'-P-C4' energy: -74.078 flat angles P-C4'-P energy: -34.600 tors. eta vs tors. theta energy: -28.339 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: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -418.263831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.263831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.263831 (E_RNA) where: Base-Base interactions energy: -159.627 where: short stacking energy: -119.378 Base-Backbone interact. energy: -1.817 local terms energy: -256.820008 where: bonds (distance) C4'-P energy: -73.899 bonds (distance) P-C4' energy: -95.153 flat angles C4'-P-C4' energy: -74.818 flat angles P-C4'-P energy: -23.193 tors. eta vs tors. theta energy: 10.242 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: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -383.770780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.770780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.770780 (E_RNA) where: Base-Base interactions energy: -141.118 where: short stacking energy: -120.130 Base-Backbone interact. energy: 4.118 local terms energy: -246.769873 where: bonds (distance) C4'-P energy: -77.202 bonds (distance) P-C4' energy: -72.467 flat angles C4'-P-C4' energy: -57.906 flat angles P-C4'-P energy: -43.109 tors. eta vs tors. theta energy: 3.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1489.850860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.850860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.850860 (E_RNA) where: Base-Base interactions energy: -982.910 where: short stacking energy: -416.861 Base-Backbone interact. energy: -0.562 local terms energy: -506.378619 where: bonds (distance) C4'-P energy: -93.428 bonds (distance) P-C4' energy: -101.219 flat angles C4'-P-C4' energy: -114.614 flat angles P-C4'-P energy: -66.463 tors. eta vs tors. theta energy: -130.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1443.973574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.973574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.973574 (E_RNA) where: Base-Base interactions energy: -946.125 where: short stacking energy: -472.825 Base-Backbone interact. energy: -2.104 local terms energy: -495.744406 where: bonds (distance) C4'-P energy: -87.574 bonds (distance) P-C4' energy: -89.017 flat angles C4'-P-C4' energy: -108.659 flat angles P-C4'-P energy: -72.679 tors. eta vs tors. theta energy: -137.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1307.609472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.609472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.609472 (E_RNA) where: Base-Base interactions energy: -851.026 where: short stacking energy: -409.754 Base-Backbone interact. energy: -1.585 local terms energy: -454.997971 where: bonds (distance) C4'-P energy: -96.709 bonds (distance) P-C4' energy: -88.673 flat angles C4'-P-C4' energy: -93.576 flat angles P-C4'-P energy: -68.544 tors. eta vs tors. theta energy: -107.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1239.505976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.505976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.505976 (E_RNA) where: Base-Base interactions energy: -803.775 where: short stacking energy: -392.930 Base-Backbone interact. energy: -0.724 local terms energy: -435.007370 where: bonds (distance) C4'-P energy: -90.429 bonds (distance) P-C4' energy: -73.743 flat angles C4'-P-C4' energy: -93.756 flat angles P-C4'-P energy: -61.730 tors. eta vs tors. theta energy: -115.350 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: 5, replica: 10 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1099.456662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.456662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.456662 (E_RNA) where: Base-Base interactions energy: -690.426 where: short stacking energy: -341.896 Base-Backbone interact. energy: 1.993 local terms energy: -411.023596 where: bonds (distance) C4'-P energy: -80.681 bonds (distance) P-C4' energy: -88.891 flat angles C4'-P-C4' energy: -95.074 flat angles P-C4'-P energy: -55.378 tors. eta vs tors. theta energy: -91.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -868.946965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.946965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.946965 (E_RNA) where: Base-Base interactions energy: -508.879 where: short stacking energy: -249.290 Base-Backbone interact. energy: -1.108 local terms energy: -358.960627 where: bonds (distance) C4'-P energy: -83.498 bonds (distance) P-C4' energy: -90.123 flat angles C4'-P-C4' energy: -71.620 flat angles P-C4'-P energy: -65.941 tors. eta vs tors. theta energy: -47.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -812.790142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.790142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.790142 (E_RNA) where: Base-Base interactions energy: -504.555 where: short stacking energy: -223.459 Base-Backbone interact. energy: -2.258 local terms energy: -305.977371 where: bonds (distance) C4'-P energy: -58.054 bonds (distance) P-C4' energy: -84.189 flat angles C4'-P-C4' energy: -88.393 flat angles P-C4'-P energy: -48.753 tors. eta vs tors. theta energy: -26.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -721.414623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.414623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.414623 (E_RNA) where: Base-Base interactions energy: -399.352 where: short stacking energy: -222.206 Base-Backbone interact. energy: -3.434 local terms energy: -318.628367 where: bonds (distance) C4'-P energy: -78.578 bonds (distance) P-C4' energy: -74.564 flat angles C4'-P-C4' energy: -77.302 flat angles P-C4'-P energy: -47.708 tors. eta vs tors. theta energy: -40.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -452.566024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.566024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.566024 (E_RNA) where: Base-Base interactions energy: -186.581 where: short stacking energy: -123.142 Base-Backbone interact. energy: 5.725 local terms energy: -271.709559 where: bonds (distance) C4'-P energy: -77.689 bonds (distance) P-C4' energy: -92.045 flat angles C4'-P-C4' energy: -73.738 flat angles P-C4'-P energy: -43.337 tors. eta vs tors. theta energy: 15.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -374.255797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.255797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.255797 (E_RNA) where: Base-Base interactions energy: -136.662 where: short stacking energy: -107.918 Base-Backbone interact. energy: -1.303 local terms energy: -236.290747 where: bonds (distance) C4'-P energy: -66.218 bonds (distance) P-C4' energy: -65.817 flat angles C4'-P-C4' energy: -70.490 flat angles P-C4'-P energy: -42.737 tors. eta vs tors. theta energy: 8.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1508.385307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.385307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.385307 (E_RNA) where: Base-Base interactions energy: -988.252 where: short stacking energy: -466.724 Base-Backbone interact. energy: -2.318 local terms energy: -517.816267 where: bonds (distance) C4'-P energy: -97.153 bonds (distance) P-C4' energy: -108.199 flat angles C4'-P-C4' energy: -109.699 flat angles P-C4'-P energy: -68.171 tors. eta vs tors. theta energy: -134.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1394.412205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.412205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.412205 (E_RNA) where: Base-Base interactions energy: -884.800 where: short stacking energy: -419.603 Base-Backbone interact. energy: -2.890 local terms energy: -506.722145 where: bonds (distance) C4'-P energy: -98.878 bonds (distance) P-C4' energy: -93.059 flat angles C4'-P-C4' energy: -109.128 flat angles P-C4'-P energy: -70.710 tors. eta vs tors. theta energy: -134.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1251.288314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.288314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.288314 (E_RNA) where: Base-Base interactions energy: -795.690 where: short stacking energy: -365.997 Base-Backbone interact. energy: -3.971 local terms energy: -451.628057 where: bonds (distance) C4'-P energy: -79.343 bonds (distance) P-C4' energy: -95.893 flat angles C4'-P-C4' energy: -106.193 flat angles P-C4'-P energy: -67.483 tors. eta vs tors. theta energy: -102.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1213.554423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.554423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.554423 (E_RNA) where: Base-Base interactions energy: -785.681 where: short stacking energy: -368.306 Base-Backbone interact. energy: -1.311 local terms energy: -426.563013 where: bonds (distance) C4'-P energy: -93.371 bonds (distance) P-C4' energy: -95.163 flat angles C4'-P-C4' energy: -81.874 flat angles P-C4'-P energy: -58.150 tors. eta vs tors. theta energy: -98.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1084.270012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.270012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.270012 (E_RNA) where: Base-Base interactions energy: -683.424 where: short stacking energy: -331.185 Base-Backbone interact. energy: 0.452 local terms energy: -401.298578 where: bonds (distance) C4'-P energy: -66.612 bonds (distance) P-C4' energy: -87.892 flat angles C4'-P-C4' energy: -88.864 flat angles P-C4'-P energy: -68.438 tors. eta vs tors. theta energy: -89.493 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: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -891.600326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.600326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.600326 (E_RNA) where: Base-Base interactions energy: -539.704 where: short stacking energy: -248.050 Base-Backbone interact. energy: 0.737 local terms energy: -352.633763 where: bonds (distance) C4'-P energy: -89.902 bonds (distance) P-C4' energy: -86.012 flat angles C4'-P-C4' energy: -82.525 flat angles P-C4'-P energy: -48.782 tors. eta vs tors. theta energy: -45.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -836.224575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.224575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.224575 (E_RNA) where: Base-Base interactions energy: -517.762 where: short stacking energy: -247.562 Base-Backbone interact. energy: 1.230 local terms energy: -319.692706 where: bonds (distance) C4'-P energy: -67.435 bonds (distance) P-C4' energy: -72.375 flat angles C4'-P-C4' energy: -80.661 flat angles P-C4'-P energy: -59.115 tors. eta vs tors. theta energy: -40.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -695.019455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.019455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.019455 (E_RNA) where: Base-Base interactions energy: -391.471 where: short stacking energy: -191.941 Base-Backbone interact. energy: -1.600 local terms energy: -301.948204 where: bonds (distance) C4'-P energy: -83.744 bonds (distance) P-C4' energy: -85.849 flat angles C4'-P-C4' energy: -77.264 flat angles P-C4'-P energy: -29.715 tors. eta vs tors. theta energy: -25.377 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: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -436.799396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.799396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.799396 (E_RNA) where: Base-Base interactions energy: -172.145 where: short stacking energy: -146.578 Base-Backbone interact. energy: -2.317 local terms energy: -262.337605 where: bonds (distance) C4'-P energy: -58.131 bonds (distance) P-C4' energy: -64.729 flat angles C4'-P-C4' energy: -75.068 flat angles P-C4'-P energy: -52.027 tors. eta vs tors. theta energy: -12.383 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: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -364.652910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.652910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.652910 (E_RNA) where: Base-Base interactions energy: -127.539 where: short stacking energy: -115.480 Base-Backbone interact. energy: -2.086 local terms energy: -235.027867 where: bonds (distance) C4'-P energy: -57.976 bonds (distance) P-C4' energy: -90.731 flat angles C4'-P-C4' energy: -82.634 flat angles P-C4'-P energy: -21.306 tors. eta vs tors. theta energy: 17.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1489.294480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.294480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.294480 (E_RNA) where: Base-Base interactions energy: -990.659 where: short stacking energy: -443.120 Base-Backbone interact. energy: -1.650 local terms energy: -496.985664 where: bonds (distance) C4'-P energy: -101.407 bonds (distance) P-C4' energy: -94.950 flat angles C4'-P-C4' energy: -99.436 flat angles P-C4'-P energy: -65.892 tors. eta vs tors. theta energy: -135.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1424.604760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.604760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.604760 (E_RNA) where: Base-Base interactions energy: -910.605 where: short stacking energy: -444.196 Base-Backbone interact. energy: -1.615 local terms energy: -512.384594 where: bonds (distance) C4'-P energy: -91.443 bonds (distance) P-C4' energy: -99.753 flat angles C4'-P-C4' energy: -114.988 flat angles P-C4'-P energy: -64.884 tors. eta vs tors. theta energy: -141.316 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: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1293.842055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.842055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.842055 (E_RNA) where: Base-Base interactions energy: -852.005 where: short stacking energy: -407.595 Base-Backbone interact. energy: -2.132 local terms energy: -439.705274 where: bonds (distance) C4'-P energy: -87.549 bonds (distance) P-C4' energy: -92.521 flat angles C4'-P-C4' energy: -88.992 flat angles P-C4'-P energy: -60.763 tors. eta vs tors. theta energy: -109.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1206.355791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.355791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.355791 (E_RNA) where: Base-Base interactions energy: -767.057 where: short stacking energy: -362.762 Base-Backbone interact. energy: 0.257 local terms energy: -439.556143 where: bonds (distance) C4'-P energy: -98.502 bonds (distance) P-C4' energy: -100.437 flat angles C4'-P-C4' energy: -88.791 flat angles P-C4'-P energy: -47.668 tors. eta vs tors. theta energy: -104.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1102.412759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.412759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.412759 (E_RNA) where: Base-Base interactions energy: -670.811 where: short stacking energy: -322.799 Base-Backbone interact. energy: -0.883 local terms energy: -430.718981 where: bonds (distance) C4'-P energy: -80.009 bonds (distance) P-C4' energy: -100.678 flat angles C4'-P-C4' energy: -98.353 flat angles P-C4'-P energy: -63.202 tors. eta vs tors. theta energy: -88.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -894.519028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.519028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.519028 (E_RNA) where: Base-Base interactions energy: -547.100 where: short stacking energy: -238.989 Base-Backbone interact. energy: -0.699 local terms energy: -346.720064 where: bonds (distance) C4'-P energy: -80.150 bonds (distance) P-C4' energy: -93.606 flat angles C4'-P-C4' energy: -85.858 flat angles P-C4'-P energy: -49.539 tors. eta vs tors. theta energy: -37.567 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: 3 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -816.466855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.466855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.466855 (E_RNA) where: Base-Base interactions energy: -463.958 where: short stacking energy: -227.746 Base-Backbone interact. energy: 0.186 local terms energy: -352.694904 where: bonds (distance) C4'-P energy: -84.040 bonds (distance) P-C4' energy: -76.193 flat angles C4'-P-C4' energy: -87.648 flat angles P-C4'-P energy: -40.519 tors. eta vs tors. theta energy: -64.295 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: 5 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -800.002325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.002325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.002325 (E_RNA) where: Base-Base interactions energy: -485.845 where: short stacking energy: -235.064 Base-Backbone interact. energy: -0.778 local terms energy: -313.379218 where: bonds (distance) C4'-P energy: -74.735 bonds (distance) P-C4' energy: -65.336 flat angles C4'-P-C4' energy: -87.277 flat angles P-C4'-P energy: -47.964 tors. eta vs tors. theta energy: -38.067 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: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -489.367685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.367685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.367685 (E_RNA) where: Base-Base interactions energy: -207.987 where: short stacking energy: -151.693 Base-Backbone interact. energy: 1.896 local terms energy: -283.276106 where: bonds (distance) C4'-P energy: -70.564 bonds (distance) P-C4' energy: -89.278 flat angles C4'-P-C4' energy: -84.283 flat angles P-C4'-P energy: -37.725 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -373.618554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.618554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.618554 (E_RNA) where: Base-Base interactions energy: -107.585 where: short stacking energy: -83.540 Base-Backbone interact. energy: -0.776 local terms energy: -265.256933 where: bonds (distance) C4'-P energy: -73.537 bonds (distance) P-C4' energy: -94.204 flat angles C4'-P-C4' energy: -63.389 flat angles P-C4'-P energy: -54.631 tors. eta vs tors. theta energy: 20.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1512.802349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.802349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.802349 (E_RNA) where: Base-Base interactions energy: -996.567 where: short stacking energy: -449.501 Base-Backbone interact. energy: -3.053 local terms energy: -513.181973 where: bonds (distance) C4'-P energy: -109.168 bonds (distance) P-C4' energy: -103.283 flat angles C4'-P-C4' energy: -108.155 flat angles P-C4'-P energy: -63.299 tors. eta vs tors. theta energy: -129.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1393.234886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.234886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.234886 (E_RNA) where: Base-Base interactions energy: -891.290 where: short stacking energy: -459.038 Base-Backbone interact. energy: 1.472 local terms energy: -503.416410 where: bonds (distance) C4'-P energy: -102.942 bonds (distance) P-C4' energy: -83.066 flat angles C4'-P-C4' energy: -113.236 flat angles P-C4'-P energy: -70.040 tors. eta vs tors. theta energy: -134.133 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: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1315.459144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.459144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.459144 (E_RNA) where: Base-Base interactions energy: -856.993 where: short stacking energy: -398.829 Base-Backbone interact. energy: -3.685 local terms energy: -454.781515 where: bonds (distance) C4'-P energy: -93.234 bonds (distance) P-C4' energy: -90.622 flat angles C4'-P-C4' energy: -98.197 flat angles P-C4'-P energy: -65.656 tors. eta vs tors. theta energy: -107.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1213.248551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.248551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.248551 (E_RNA) where: Base-Base interactions energy: -801.200 where: short stacking energy: -359.557 Base-Backbone interact. energy: -1.280 local terms energy: -410.768827 where: bonds (distance) C4'-P energy: -81.111 bonds (distance) P-C4' energy: -88.370 flat angles C4'-P-C4' energy: -101.310 flat angles P-C4'-P energy: -54.979 tors. eta vs tors. theta energy: -84.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1106.995764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.995764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.995764 (E_RNA) where: Base-Base interactions energy: -683.264 where: short stacking energy: -355.421 Base-Backbone interact. energy: -0.985 local terms energy: -422.746702 where: bonds (distance) C4'-P energy: -78.986 bonds (distance) P-C4' energy: -90.062 flat angles C4'-P-C4' energy: -107.814 flat angles P-C4'-P energy: -59.552 tors. eta vs tors. theta energy: -86.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -945.600813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.600813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.600813 (E_RNA) where: Base-Base interactions energy: -573.844 where: short stacking energy: -266.155 Base-Backbone interact. energy: -1.883 local terms energy: -369.873040 where: bonds (distance) C4'-P energy: -88.407 bonds (distance) P-C4' energy: -89.198 flat angles C4'-P-C4' energy: -83.404 flat angles P-C4'-P energy: -49.089 tors. eta vs tors. theta energy: -59.775 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: 3 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -779.179589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.179589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.179589 (E_RNA) where: Base-Base interactions energy: -454.973 where: short stacking energy: -220.765 Base-Backbone interact. energy: 3.479 local terms energy: -327.685397 where: bonds (distance) C4'-P energy: -75.779 bonds (distance) P-C4' energy: -88.234 flat angles C4'-P-C4' energy: -81.252 flat angles P-C4'-P energy: -54.964 tors. eta vs tors. theta energy: -27.456 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: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -743.015568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.015568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.015568 (E_RNA) where: Base-Base interactions energy: -454.927 where: short stacking energy: -215.699 Base-Backbone interact. energy: -2.471 local terms energy: -285.617532 where: bonds (distance) C4'-P energy: -71.188 bonds (distance) P-C4' energy: -83.528 flat angles C4'-P-C4' energy: -73.103 flat angles P-C4'-P energy: -39.683 tors. eta vs tors. theta energy: -18.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -427.413785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.413785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.413785 (E_RNA) where: Base-Base interactions energy: -173.280 where: short stacking energy: -135.214 Base-Backbone interact. energy: 3.218 local terms energy: -257.351567 where: bonds (distance) C4'-P energy: -83.871 bonds (distance) P-C4' energy: -92.294 flat angles C4'-P-C4' energy: -57.887 flat angles P-C4'-P energy: -40.102 tors. eta vs tors. theta energy: 16.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -377.510695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.510695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.510695 (E_RNA) where: Base-Base interactions energy: -102.671 where: short stacking energy: -91.946 Base-Backbone interact. energy: 1.115 local terms energy: -275.954265 where: bonds (distance) C4'-P energy: -90.917 bonds (distance) P-C4' energy: -68.296 flat angles C4'-P-C4' energy: -83.948 flat angles P-C4'-P energy: -38.473 tors. eta vs tors. theta energy: 5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1528.292571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.292571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.292571 (E_RNA) where: Base-Base interactions energy: -1018.631 where: short stacking energy: -463.931 Base-Backbone interact. energy: -1.050 local terms energy: -508.611844 where: bonds (distance) C4'-P energy: -106.050 bonds (distance) P-C4' energy: -96.591 flat angles C4'-P-C4' energy: -92.144 flat angles P-C4'-P energy: -72.427 tors. eta vs tors. theta energy: -141.399 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: 4 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1410.164039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.164039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.164039 (E_RNA) where: Base-Base interactions energy: -905.098 where: short stacking energy: -424.827 Base-Backbone interact. energy: -0.735 local terms energy: -504.330839 where: bonds (distance) C4'-P energy: -88.488 bonds (distance) P-C4' energy: -99.787 flat angles C4'-P-C4' energy: -111.674 flat angles P-C4'-P energy: -76.045 tors. eta vs tors. theta energy: -128.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1312.317185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.317185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.317185 (E_RNA) where: Base-Base interactions energy: -862.968 where: short stacking energy: -378.464 Base-Backbone interact. energy: -2.328 local terms energy: -447.021435 where: bonds (distance) C4'-P energy: -89.195 bonds (distance) P-C4' energy: -94.499 flat angles C4'-P-C4' energy: -99.951 flat angles P-C4'-P energy: -67.173 tors. eta vs tors. theta energy: -96.203 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: 140 Temperature: 1.050000 Total energy: -1230.037651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.037651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.037651 (E_RNA) where: Base-Base interactions energy: -819.795 where: short stacking energy: -374.950 Base-Backbone interact. energy: -0.887 local terms energy: -409.356127 where: bonds (distance) C4'-P energy: -92.420 bonds (distance) P-C4' energy: -82.112 flat angles C4'-P-C4' energy: -108.319 flat angles P-C4'-P energy: -36.452 tors. eta vs tors. theta energy: -90.053 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: 10 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1115.351577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.351577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.351577 (E_RNA) where: Base-Base interactions energy: -693.526 where: short stacking energy: -355.614 Base-Backbone interact. energy: -2.813 local terms energy: -419.013062 where: bonds (distance) C4'-P energy: -92.304 bonds (distance) P-C4' energy: -83.089 flat angles C4'-P-C4' energy: -93.203 flat angles P-C4'-P energy: -53.786 tors. eta vs tors. theta energy: -96.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -915.583047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.583047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.583047 (E_RNA) where: Base-Base interactions energy: -548.927 where: short stacking energy: -275.926 Base-Backbone interact. energy: -2.900 local terms energy: -363.756210 where: bonds (distance) C4'-P energy: -91.377 bonds (distance) P-C4' energy: -82.563 flat angles C4'-P-C4' energy: -86.156 flat angles P-C4'-P energy: -47.722 tors. eta vs tors. theta energy: -55.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -819.627006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.627006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.627006 (E_RNA) where: Base-Base interactions energy: -469.028 where: short stacking energy: -243.939 Base-Backbone interact. energy: -1.303 local terms energy: -349.295714 where: bonds (distance) C4'-P energy: -84.779 bonds (distance) P-C4' energy: -76.078 flat angles C4'-P-C4' energy: -91.580 flat angles P-C4'-P energy: -52.569 tors. eta vs tors. theta energy: -44.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -792.546504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.546504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.546504 (E_RNA) where: Base-Base interactions energy: -477.083 where: short stacking energy: -213.935 Base-Backbone interact. energy: 2.455 local terms energy: -317.918403 where: bonds (distance) C4'-P energy: -86.315 bonds (distance) P-C4' energy: -87.784 flat angles C4'-P-C4' energy: -64.234 flat angles P-C4'-P energy: -50.951 tors. eta vs tors. theta energy: -28.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -403.816610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.816610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.816610 (E_RNA) where: Base-Base interactions energy: -137.032 where: short stacking energy: -108.865 Base-Backbone interact. energy: -0.648 local terms energy: -266.135802 where: bonds (distance) C4'-P energy: -80.178 bonds (distance) P-C4' energy: -84.525 flat angles C4'-P-C4' energy: -68.524 flat angles P-C4'-P energy: -40.088 tors. eta vs tors. theta energy: 7.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -382.492246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.492246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.492246 (E_RNA) where: Base-Base interactions energy: -123.692 where: short stacking energy: -111.269 Base-Backbone interact. energy: -1.427 local terms energy: -257.373290 where: bonds (distance) C4'-P energy: -82.407 bonds (distance) P-C4' energy: -83.721 flat angles C4'-P-C4' energy: -59.213 flat angles P-C4'-P energy: -35.644 tors. eta vs tors. theta energy: 3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1516.017670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.017670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.017670 (E_RNA) where: Base-Base interactions energy: -1013.773 where: short stacking energy: -458.784 Base-Backbone interact. energy: -4.071 local terms energy: -498.173703 where: bonds (distance) C4'-P energy: -91.115 bonds (distance) P-C4' energy: -94.953 flat angles C4'-P-C4' energy: -107.349 flat angles P-C4'-P energy: -73.032 tors. eta vs tors. theta energy: -131.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1443.692785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.692785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.692785 (E_RNA) where: Base-Base interactions energy: -943.749 where: short stacking energy: -461.002 Base-Backbone interact. energy: -1.023 local terms energy: -498.921349 where: bonds (distance) C4'-P energy: -88.211 bonds (distance) P-C4' energy: -100.844 flat angles C4'-P-C4' energy: -107.810 flat angles P-C4'-P energy: -63.325 tors. eta vs tors. theta energy: -138.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1351.713081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.713081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.713081 (E_RNA) where: Base-Base interactions energy: -884.452 where: short stacking energy: -389.137 Base-Backbone interact. energy: 1.641 local terms energy: -468.902634 where: bonds (distance) C4'-P energy: -86.331 bonds (distance) P-C4' energy: -107.095 flat angles C4'-P-C4' energy: -97.547 flat angles P-C4'-P energy: -67.483 tors. eta vs tors. theta energy: -110.446 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: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1259.449301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.449301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.449301 (E_RNA) where: Base-Base interactions energy: -828.348 where: short stacking energy: -390.828 Base-Backbone interact. energy: 0.539 local terms energy: -431.639930 where: bonds (distance) C4'-P energy: -84.452 bonds (distance) P-C4' energy: -87.637 flat angles C4'-P-C4' energy: -98.687 flat angles P-C4'-P energy: -63.933 tors. eta vs tors. theta energy: -96.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1081.522152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.522152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.522152 (E_RNA) where: Base-Base interactions energy: -680.965 where: short stacking energy: -339.089 Base-Backbone interact. energy: -1.006 local terms energy: -399.551261 where: bonds (distance) C4'-P energy: -76.421 bonds (distance) P-C4' energy: -100.380 flat angles C4'-P-C4' energy: -95.014 flat angles P-C4'-P energy: -55.329 tors. eta vs tors. theta energy: -72.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -892.830263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.830263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.830263 (E_RNA) where: Base-Base interactions energy: -523.899 where: short stacking energy: -254.502 Base-Backbone interact. energy: -1.394 local terms energy: -367.536872 where: bonds (distance) C4'-P energy: -81.107 bonds (distance) P-C4' energy: -90.235 flat angles C4'-P-C4' energy: -95.901 flat angles P-C4'-P energy: -54.355 tors. eta vs tors. theta energy: -45.939 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: 3 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -904.856577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.856577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.856577 (E_RNA) where: Base-Base interactions energy: -537.919 where: short stacking energy: -266.708 Base-Backbone interact. energy: 3.748 local terms energy: -370.685535 where: bonds (distance) C4'-P energy: -88.138 bonds (distance) P-C4' energy: -79.724 flat angles C4'-P-C4' energy: -91.637 flat angles P-C4'-P energy: -62.060 tors. eta vs tors. theta energy: -49.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -771.175578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.175578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.175578 (E_RNA) where: Base-Base interactions energy: -452.583 where: short stacking energy: -218.006 Base-Backbone interact. energy: 0.292 local terms energy: -318.884162 where: bonds (distance) C4'-P energy: -71.191 bonds (distance) P-C4' energy: -84.173 flat angles C4'-P-C4' energy: -78.299 flat angles P-C4'-P energy: -45.742 tors. eta vs tors. theta energy: -39.479 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: 1 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -445.146001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.146001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.146001 (E_RNA) where: Base-Base interactions energy: -176.534 where: short stacking energy: -127.104 Base-Backbone interact. energy: 6.441 local terms energy: -275.052995 where: bonds (distance) C4'-P energy: -76.490 bonds (distance) P-C4' energy: -90.382 flat angles C4'-P-C4' energy: -67.902 flat angles P-C4'-P energy: -35.288 tors. eta vs tors. theta energy: -4.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -395.564051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.564051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.564051 (E_RNA) where: Base-Base interactions energy: -147.400 where: short stacking energy: -136.114 Base-Backbone interact. energy: -0.049 local terms energy: -248.115295 where: bonds (distance) C4'-P energy: -76.299 bonds (distance) P-C4' energy: -75.670 flat angles C4'-P-C4' energy: -80.685 flat angles P-C4'-P energy: -21.853 tors. eta vs tors. theta energy: 6.391 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: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1522.534502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.534502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.534502 (E_RNA) where: Base-Base interactions energy: -997.549 where: short stacking energy: -466.588 Base-Backbone interact. energy: -2.956 local terms energy: -522.029751 where: bonds (distance) C4'-P energy: -103.701 bonds (distance) P-C4' energy: -95.987 flat angles C4'-P-C4' energy: -109.687 flat angles P-C4'-P energy: -72.521 tors. eta vs tors. theta energy: -140.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1405.265243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.265243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.265243 (E_RNA) where: Base-Base interactions energy: -907.976 where: short stacking energy: -451.028 Base-Backbone interact. energy: -1.728 local terms energy: -495.561019 where: bonds (distance) C4'-P energy: -96.094 bonds (distance) P-C4' energy: -90.500 flat angles C4'-P-C4' energy: -108.772 flat angles P-C4'-P energy: -64.221 tors. eta vs tors. theta energy: -135.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1352.581459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.581459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.581459 (E_RNA) where: Base-Base interactions energy: -892.604 where: short stacking energy: -397.929 Base-Backbone interact. energy: -2.918 local terms energy: -457.059442 where: bonds (distance) C4'-P energy: -94.555 bonds (distance) P-C4' energy: -93.869 flat angles C4'-P-C4' energy: -101.059 flat angles P-C4'-P energy: -56.113 tors. eta vs tors. theta energy: -111.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1223.430197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.430197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.430197 (E_RNA) where: Base-Base interactions energy: -780.860 where: short stacking energy: -368.382 Base-Backbone interact. energy: -3.848 local terms energy: -438.721898 where: bonds (distance) C4'-P energy: -90.881 bonds (distance) P-C4' energy: -92.033 flat angles C4'-P-C4' energy: -104.895 flat angles P-C4'-P energy: -60.446 tors. eta vs tors. theta energy: -90.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1109.709903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.709903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.709903 (E_RNA) where: Base-Base interactions energy: -675.379 where: short stacking energy: -322.603 Base-Backbone interact. energy: 1.912 local terms energy: -436.242929 where: bonds (distance) C4'-P energy: -83.958 bonds (distance) P-C4' energy: -100.431 flat angles C4'-P-C4' energy: -96.418 flat angles P-C4'-P energy: -64.837 tors. eta vs tors. theta energy: -90.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -918.706461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.706461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.706461 (E_RNA) where: Base-Base interactions energy: -539.762 where: short stacking energy: -267.087 Base-Backbone interact. energy: -0.356 local terms energy: -378.588097 where: bonds (distance) C4'-P energy: -85.115 bonds (distance) P-C4' energy: -94.731 flat angles C4'-P-C4' energy: -87.482 flat angles P-C4'-P energy: -56.340 tors. eta vs tors. theta energy: -54.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -834.324411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.324411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.324411 (E_RNA) where: Base-Base interactions energy: -484.068 where: short stacking energy: -263.219 Base-Backbone interact. energy: 1.805 local terms energy: -352.061665 where: bonds (distance) C4'-P energy: -86.088 bonds (distance) P-C4' energy: -93.086 flat angles C4'-P-C4' energy: -71.597 flat angles P-C4'-P energy: -43.520 tors. eta vs tors. theta energy: -57.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -809.723738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.723738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.723738 (E_RNA) where: Base-Base interactions energy: -456.685 where: short stacking energy: -219.594 Base-Backbone interact. energy: -1.234 local terms energy: -351.805026 where: bonds (distance) C4'-P energy: -90.598 bonds (distance) P-C4' energy: -82.003 flat angles C4'-P-C4' energy: -69.842 flat angles P-C4'-P energy: -56.955 tors. eta vs tors. theta energy: -52.407 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: 1 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -419.303943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.303943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.303943 (E_RNA) where: Base-Base interactions energy: -145.909 where: short stacking energy: -122.218 Base-Backbone interact. energy: 3.811 local terms energy: -277.206035 where: bonds (distance) C4'-P energy: -84.565 bonds (distance) P-C4' energy: -94.368 flat angles C4'-P-C4' energy: -56.138 flat angles P-C4'-P energy: -41.459 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -418.256029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.256029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.256029 (E_RNA) where: Base-Base interactions energy: -170.710 where: short stacking energy: -135.633 Base-Backbone interact. energy: 0.574 local terms energy: -248.119644 where: bonds (distance) C4'-P energy: -63.965 bonds (distance) P-C4' energy: -71.755 flat angles C4'-P-C4' energy: -66.038 flat angles P-C4'-P energy: -41.927 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1537.319868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.319868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.319868 (E_RNA) where: Base-Base interactions energy: -1034.344 where: short stacking energy: -468.353 Base-Backbone interact. energy: -2.620 local terms energy: -500.356380 where: bonds (distance) C4'-P energy: -97.442 bonds (distance) P-C4' energy: -81.286 flat angles C4'-P-C4' energy: -99.047 flat angles P-C4'-P energy: -85.210 tors. eta vs tors. theta energy: -137.371 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: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1412.680009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.680009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.680009 (E_RNA) where: Base-Base interactions energy: -923.483 where: short stacking energy: -464.640 Base-Backbone interact. energy: 2.714 local terms energy: -491.911245 where: bonds (distance) C4'-P energy: -86.271 bonds (distance) P-C4' energy: -94.031 flat angles C4'-P-C4' energy: -102.229 flat angles P-C4'-P energy: -66.805 tors. eta vs tors. theta energy: -142.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1342.239459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.239459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.239459 (E_RNA) where: Base-Base interactions energy: -881.652 where: short stacking energy: -392.394 Base-Backbone interact. energy: -2.183 local terms energy: -458.405047 where: bonds (distance) C4'-P energy: -73.829 bonds (distance) P-C4' energy: -99.407 flat angles C4'-P-C4' energy: -102.172 flat angles P-C4'-P energy: -65.987 tors. eta vs tors. theta energy: -117.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1198.824725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.824725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.824725 (E_RNA) where: Base-Base interactions energy: -778.875 where: short stacking energy: -364.976 Base-Backbone interact. energy: -0.939 local terms energy: -419.011138 where: bonds (distance) C4'-P energy: -81.007 bonds (distance) P-C4' energy: -87.203 flat angles C4'-P-C4' energy: -95.806 flat angles P-C4'-P energy: -58.592 tors. eta vs tors. theta energy: -96.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1080.469172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.469172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.469172 (E_RNA) where: Base-Base interactions energy: -708.474 where: short stacking energy: -327.337 Base-Backbone interact. energy: 4.323 local terms energy: -376.318051 where: bonds (distance) C4'-P energy: -87.566 bonds (distance) P-C4' energy: -82.123 flat angles C4'-P-C4' energy: -84.423 flat angles P-C4'-P energy: -55.243 tors. eta vs tors. theta energy: -66.963 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: 7 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -888.721557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.721557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.721557 (E_RNA) where: Base-Base interactions energy: -555.353 where: short stacking energy: -261.348 Base-Backbone interact. energy: -1.396 local terms energy: -331.972431 where: bonds (distance) C4'-P energy: -77.260 bonds (distance) P-C4' energy: -84.535 flat angles C4'-P-C4' energy: -87.478 flat angles P-C4'-P energy: -44.548 tors. eta vs tors. theta energy: -38.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -823.303958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.303958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.303958 (E_RNA) where: Base-Base interactions energy: -475.328 where: short stacking energy: -247.205 Base-Backbone interact. energy: -3.866 local terms energy: -344.109544 where: bonds (distance) C4'-P energy: -93.785 bonds (distance) P-C4' energy: -78.049 flat angles C4'-P-C4' energy: -85.771 flat angles P-C4'-P energy: -42.210 tors. eta vs tors. theta energy: -44.294 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: 3 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -782.125783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.125783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.125783 (E_RNA) where: Base-Base interactions energy: -469.932 where: short stacking energy: -238.880 Base-Backbone interact. energy: 3.331 local terms energy: -315.524188 where: bonds (distance) C4'-P energy: -72.886 bonds (distance) P-C4' energy: -84.322 flat angles C4'-P-C4' energy: -86.657 flat angles P-C4'-P energy: -42.671 tors. eta vs tors. theta energy: -28.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -431.522810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.522810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.522810 (E_RNA) where: Base-Base interactions energy: -159.742 where: short stacking energy: -143.410 Base-Backbone interact. energy: 3.526 local terms energy: -275.307480 where: bonds (distance) C4'-P energy: -83.237 bonds (distance) P-C4' energy: -88.573 flat angles C4'-P-C4' energy: -68.739 flat angles P-C4'-P energy: -44.182 tors. eta vs tors. theta energy: 9.424 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: 143 Temperature: 1.350000 Total energy: -358.995494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.995494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.995494 (E_RNA) where: Base-Base interactions energy: -108.130 where: short stacking energy: -89.975 Base-Backbone interact. energy: 4.313 local terms energy: -255.179077 where: bonds (distance) C4'-P energy: -78.794 bonds (distance) P-C4' energy: -90.941 flat angles C4'-P-C4' energy: -60.452 flat angles P-C4'-P energy: -43.921 tors. eta vs tors. theta energy: 18.928 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: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1529.108517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.108517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.108517 (E_RNA) where: Base-Base interactions energy: -1043.411 where: short stacking energy: -482.844 Base-Backbone interact. energy: -3.567 local terms energy: -482.130315 where: bonds (distance) C4'-P energy: -91.392 bonds (distance) P-C4' energy: -88.409 flat angles C4'-P-C4' energy: -103.531 flat angles P-C4'-P energy: -64.056 tors. eta vs tors. theta energy: -134.743 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: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1382.918712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.918712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.918712 (E_RNA) where: Base-Base interactions energy: -896.927 where: short stacking energy: -433.731 Base-Backbone interact. energy: 0.120 local terms energy: -486.111961 where: bonds (distance) C4'-P energy: -89.547 bonds (distance) P-C4' energy: -95.892 flat angles C4'-P-C4' energy: -112.152 flat angles P-C4'-P energy: -69.924 tors. eta vs tors. theta energy: -118.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1318.621245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.621245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.621245 (E_RNA) where: Base-Base interactions energy: -867.689 where: short stacking energy: -385.445 Base-Backbone interact. energy: -1.306 local terms energy: -449.626035 where: bonds (distance) C4'-P energy: -83.338 bonds (distance) P-C4' energy: -83.493 flat angles C4'-P-C4' energy: -111.845 flat angles P-C4'-P energy: -58.194 tors. eta vs tors. theta energy: -112.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1172.981327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.981327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.981327 (E_RNA) where: Base-Base interactions energy: -734.655 where: short stacking energy: -344.367 Base-Backbone interact. energy: -2.677 local terms energy: -435.649417 where: bonds (distance) C4'-P energy: -83.904 bonds (distance) P-C4' energy: -92.629 flat angles C4'-P-C4' energy: -92.921 flat angles P-C4'-P energy: -71.271 tors. eta vs tors. theta energy: -94.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1060.315484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.315484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.315484 (E_RNA) where: Base-Base interactions energy: -664.865 where: short stacking energy: -308.600 Base-Backbone interact. energy: 0.080 local terms energy: -395.530540 where: bonds (distance) C4'-P energy: -91.493 bonds (distance) P-C4' energy: -84.300 flat angles C4'-P-C4' energy: -90.564 flat angles P-C4'-P energy: -54.794 tors. eta vs tors. theta energy: -74.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -875.268281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.268281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.268281 (E_RNA) where: Base-Base interactions energy: -521.513 where: short stacking energy: -270.633 Base-Backbone interact. energy: -0.967 local terms energy: -352.788617 where: bonds (distance) C4'-P energy: -83.095 bonds (distance) P-C4' energy: -83.978 flat angles C4'-P-C4' energy: -76.927 flat angles P-C4'-P energy: -48.452 tors. eta vs tors. theta energy: -60.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -843.351286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.351286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.351286 (E_RNA) where: Base-Base interactions energy: -500.362 where: short stacking energy: -242.947 Base-Backbone interact. energy: -0.148 local terms energy: -342.841407 where: bonds (distance) C4'-P energy: -80.176 bonds (distance) P-C4' energy: -92.933 flat angles C4'-P-C4' energy: -75.199 flat angles P-C4'-P energy: -50.041 tors. eta vs tors. theta energy: -44.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -711.755878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.755878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.755878 (E_RNA) where: Base-Base interactions energy: -414.391 where: short stacking energy: -221.623 Base-Backbone interact. energy: -0.452 local terms energy: -296.913022 where: bonds (distance) C4'-P energy: -84.058 bonds (distance) P-C4' energy: -80.553 flat angles C4'-P-C4' energy: -76.904 flat angles P-C4'-P energy: -36.586 tors. eta vs tors. theta energy: -18.812 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: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -398.915900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.915900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.915900 (E_RNA) where: Base-Base interactions energy: -155.374 where: short stacking energy: -133.003 Base-Backbone interact. energy: -0.604 local terms energy: -242.938598 where: bonds (distance) C4'-P energy: -72.086 bonds (distance) P-C4' energy: -71.842 flat angles C4'-P-C4' energy: -58.255 flat angles P-C4'-P energy: -50.690 tors. eta vs tors. theta energy: 9.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -380.490631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.490631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.490631 (E_RNA) where: Base-Base interactions energy: -141.684 where: short stacking energy: -109.583 Base-Backbone interact. energy: 5.156 local terms energy: -243.963277 where: bonds (distance) C4'-P energy: -58.711 bonds (distance) P-C4' energy: -90.659 flat angles C4'-P-C4' energy: -69.632 flat angles P-C4'-P energy: -36.206 tors. eta vs tors. theta energy: 11.245 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: 8 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1493.929455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.929455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.929455 (E_RNA) where: Base-Base interactions energy: -988.419 where: short stacking energy: -466.897 Base-Backbone interact. energy: -1.576 local terms energy: -503.933817 where: bonds (distance) C4'-P energy: -88.391 bonds (distance) P-C4' energy: -97.669 flat angles C4'-P-C4' energy: -106.746 flat angles P-C4'-P energy: -74.469 tors. eta vs tors. theta energy: -136.658 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: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1410.077377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.077377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.077377 (E_RNA) where: Base-Base interactions energy: -936.434 where: short stacking energy: -458.337 Base-Backbone interact. energy: -0.549 local terms energy: -473.094812 where: bonds (distance) C4'-P energy: -85.447 bonds (distance) P-C4' energy: -81.354 flat angles C4'-P-C4' energy: -105.957 flat angles P-C4'-P energy: -65.666 tors. eta vs tors. theta energy: -134.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1316.130101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.130101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.130101 (E_RNA) where: Base-Base interactions energy: -870.899 where: short stacking energy: -386.699 Base-Backbone interact. energy: -2.085 local terms energy: -443.146391 where: bonds (distance) C4'-P energy: -76.482 bonds (distance) P-C4' energy: -95.001 flat angles C4'-P-C4' energy: -109.724 flat angles P-C4'-P energy: -60.026 tors. eta vs tors. theta energy: -101.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1150.548566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.548566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.548566 (E_RNA) where: Base-Base interactions energy: -759.878 where: short stacking energy: -344.114 Base-Backbone interact. energy: 2.070 local terms energy: -392.740184 where: bonds (distance) C4'-P energy: -85.543 bonds (distance) P-C4' energy: -87.601 flat angles C4'-P-C4' energy: -78.604 flat angles P-C4'-P energy: -59.031 tors. eta vs tors. theta energy: -81.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1073.340064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.340064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.340064 (E_RNA) where: Base-Base interactions energy: -668.157 where: short stacking energy: -331.470 Base-Backbone interact. energy: -0.429 local terms energy: -404.754833 where: bonds (distance) C4'-P energy: -82.401 bonds (distance) P-C4' energy: -82.868 flat angles C4'-P-C4' energy: -97.660 flat angles P-C4'-P energy: -59.599 tors. eta vs tors. theta energy: -82.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -886.953998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.953998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.953998 (E_RNA) where: Base-Base interactions energy: -520.105 where: short stacking energy: -254.092 Base-Backbone interact. energy: -2.070 local terms energy: -364.779238 where: bonds (distance) C4'-P energy: -86.719 bonds (distance) P-C4' energy: -95.849 flat angles C4'-P-C4' energy: -83.991 flat angles P-C4'-P energy: -47.515 tors. eta vs tors. theta energy: -50.704 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: 5 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -831.885554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.885554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.885554 (E_RNA) where: Base-Base interactions energy: -492.065 where: short stacking energy: -221.708 Base-Backbone interact. energy: -2.536 local terms energy: -337.283868 where: bonds (distance) C4'-P energy: -71.498 bonds (distance) P-C4' energy: -85.459 flat angles C4'-P-C4' energy: -85.983 flat angles P-C4'-P energy: -48.557 tors. eta vs tors. theta energy: -45.787 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: 3 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -715.038823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.038823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.038823 (E_RNA) where: Base-Base interactions energy: -397.356 where: short stacking energy: -226.892 Base-Backbone interact. energy: -0.604 local terms energy: -317.079369 where: bonds (distance) C4'-P energy: -89.866 bonds (distance) P-C4' energy: -76.367 flat angles C4'-P-C4' energy: -84.761 flat angles P-C4'-P energy: -44.531 tors. eta vs tors. theta energy: -21.554 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: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -435.485341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.485341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.485341 (E_RNA) where: Base-Base interactions energy: -184.250 where: short stacking energy: -134.912 Base-Backbone interact. energy: 3.152 local terms energy: -254.387118 where: bonds (distance) C4'-P energy: -74.493 bonds (distance) P-C4' energy: -69.203 flat angles C4'-P-C4' energy: -72.595 flat angles P-C4'-P energy: -45.637 tors. eta vs tors. theta energy: 7.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -377.434929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.434929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.434929 (E_RNA) where: Base-Base interactions energy: -117.379 where: short stacking energy: -101.895 Base-Backbone interact. energy: -0.940 local terms energy: -259.115678 where: bonds (distance) C4'-P energy: -82.078 bonds (distance) P-C4' energy: -91.574 flat angles C4'-P-C4' energy: -70.212 flat angles P-C4'-P energy: -43.567 tors. eta vs tors. theta energy: 28.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1474.879108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.879108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.879108 (E_RNA) where: Base-Base interactions energy: -971.601 where: short stacking energy: -416.598 Base-Backbone interact. energy: -4.552 local terms energy: -498.725306 where: bonds (distance) C4'-P energy: -99.159 bonds (distance) P-C4' energy: -99.278 flat angles C4'-P-C4' energy: -98.947 flat angles P-C4'-P energy: -65.810 tors. eta vs tors. theta energy: -135.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1429.045893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.045893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.045893 (E_RNA) where: Base-Base interactions energy: -938.363 where: short stacking energy: -469.627 Base-Backbone interact. energy: -1.014 local terms energy: -489.668898 where: bonds (distance) C4'-P energy: -100.880 bonds (distance) P-C4' energy: -87.124 flat angles C4'-P-C4' energy: -102.931 flat angles P-C4'-P energy: -65.026 tors. eta vs tors. theta energy: -133.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1318.395018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.395018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.395018 (E_RNA) where: Base-Base interactions energy: -865.233 where: short stacking energy: -382.431 Base-Backbone interact. energy: -1.988 local terms energy: -451.174159 where: bonds (distance) C4'-P energy: -82.913 bonds (distance) P-C4' energy: -87.617 flat angles C4'-P-C4' energy: -103.429 flat angles P-C4'-P energy: -68.845 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: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1166.081937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.081937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.081937 (E_RNA) where: Base-Base interactions energy: -734.876 where: short stacking energy: -320.061 Base-Backbone interact. energy: -0.774 local terms energy: -430.431655 where: bonds (distance) C4'-P energy: -88.148 bonds (distance) P-C4' energy: -94.496 flat angles C4'-P-C4' energy: -93.459 flat angles P-C4'-P energy: -66.402 tors. eta vs tors. theta energy: -87.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1082.366975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.366975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.366975 (E_RNA) where: Base-Base interactions energy: -675.459 where: short stacking energy: -313.687 Base-Backbone interact. energy: -1.361 local terms energy: -405.546515 where: bonds (distance) C4'-P energy: -88.214 bonds (distance) P-C4' energy: -95.148 flat angles C4'-P-C4' energy: -92.054 flat angles P-C4'-P energy: -61.830 tors. eta vs tors. theta energy: -68.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -885.133175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.133175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.133175 (E_RNA) where: Base-Base interactions energy: -529.276 where: short stacking energy: -266.657 Base-Backbone interact. energy: 0.065 local terms energy: -355.922619 where: bonds (distance) C4'-P energy: -91.302 bonds (distance) P-C4' energy: -69.975 flat angles C4'-P-C4' energy: -75.603 flat angles P-C4'-P energy: -57.373 tors. eta vs tors. theta energy: -61.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -796.158767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.158767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.158767 (E_RNA) where: Base-Base interactions energy: -472.964 where: short stacking energy: -241.801 Base-Backbone interact. energy: 1.140 local terms energy: -324.334954 where: bonds (distance) C4'-P energy: -83.103 bonds (distance) P-C4' energy: -85.347 flat angles C4'-P-C4' energy: -89.699 flat angles P-C4'-P energy: -38.822 tors. eta vs tors. theta energy: -27.365 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: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -667.008284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.008284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.008284 (E_RNA) where: Base-Base interactions energy: -339.151 where: short stacking energy: -195.864 Base-Backbone interact. energy: 3.625 local terms energy: -331.481536 where: bonds (distance) C4'-P energy: -78.684 bonds (distance) P-C4' energy: -91.808 flat angles C4'-P-C4' energy: -81.156 flat angles P-C4'-P energy: -56.269 tors. eta vs tors. theta energy: -23.565 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: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -442.187220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.187220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.187220 (E_RNA) where: Base-Base interactions energy: -181.742 where: short stacking energy: -147.322 Base-Backbone interact. energy: 5.875 local terms energy: -266.320644 where: bonds (distance) C4'-P energy: -77.774 bonds (distance) P-C4' energy: -88.326 flat angles C4'-P-C4' energy: -61.788 flat angles P-C4'-P energy: -39.958 tors. eta vs tors. theta energy: 1.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -366.112078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.112078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.112078 (E_RNA) where: Base-Base interactions energy: -124.117 where: short stacking energy: -105.853 Base-Backbone interact. energy: 5.151 local terms energy: -247.145900 where: bonds (distance) C4'-P energy: -71.875 bonds (distance) P-C4' energy: -72.166 flat angles C4'-P-C4' energy: -71.837 flat angles P-C4'-P energy: -48.591 tors. eta vs tors. theta energy: 17.324 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: 8 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1500.545241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.545241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.545241 (E_RNA) where: Base-Base interactions energy: -980.923 where: short stacking energy: -438.134 Base-Backbone interact. energy: -1.642 local terms energy: -517.980699 where: bonds (distance) C4'-P energy: -107.482 bonds (distance) P-C4' energy: -98.850 flat angles C4'-P-C4' energy: -103.396 flat angles P-C4'-P energy: -78.281 tors. eta vs tors. theta energy: -129.971 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: 4 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1396.365061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.365061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.365061 (E_RNA) where: Base-Base interactions energy: -890.298 where: short stacking energy: -438.813 Base-Backbone interact. energy: -0.592 local terms energy: -505.475255 where: bonds (distance) C4'-P energy: -94.679 bonds (distance) P-C4' energy: -105.457 flat angles C4'-P-C4' energy: -107.549 flat angles P-C4'-P energy: -62.391 tors. eta vs tors. theta energy: -135.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1326.295651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.295651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.295651 (E_RNA) where: Base-Base interactions energy: -857.875 where: short stacking energy: -412.813 Base-Backbone interact. energy: -3.236 local terms energy: -465.184827 where: bonds (distance) C4'-P energy: -104.053 bonds (distance) P-C4' energy: -89.301 flat angles C4'-P-C4' energy: -108.259 flat angles P-C4'-P energy: -51.690 tors. eta vs tors. theta energy: -111.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1191.941485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.941485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.941485 (E_RNA) where: Base-Base interactions energy: -754.417 where: short stacking energy: -329.523 Base-Backbone interact. energy: 0.523 local terms energy: -438.047617 where: bonds (distance) C4'-P energy: -93.485 bonds (distance) P-C4' energy: -93.902 flat angles C4'-P-C4' energy: -92.404 flat angles P-C4'-P energy: -62.472 tors. eta vs tors. theta energy: -95.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1067.650962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.650962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.650962 (E_RNA) where: Base-Base interactions energy: -662.305 where: short stacking energy: -311.454 Base-Backbone interact. energy: -1.294 local terms energy: -404.051749 where: bonds (distance) C4'-P energy: -84.236 bonds (distance) P-C4' energy: -82.782 flat angles C4'-P-C4' energy: -90.848 flat angles P-C4'-P energy: -67.281 tors. eta vs tors. theta energy: -78.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -830.986981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.986981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.986981 (E_RNA) where: Base-Base interactions energy: -467.718 where: short stacking energy: -227.491 Base-Backbone interact. energy: -2.254 local terms energy: -361.014194 where: bonds (distance) C4'-P energy: -85.654 bonds (distance) P-C4' energy: -95.455 flat angles C4'-P-C4' energy: -89.344 flat angles P-C4'-P energy: -49.483 tors. eta vs tors. theta energy: -41.078 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: 7, replica: 5 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -807.957109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.957109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.957109 (E_RNA) where: Base-Base interactions energy: -470.462 where: short stacking energy: -261.935 Base-Backbone interact. energy: -1.317 local terms energy: -336.177368 where: bonds (distance) C4'-P energy: -75.590 bonds (distance) P-C4' energy: -81.682 flat angles C4'-P-C4' energy: -82.820 flat angles P-C4'-P energy: -55.302 tors. eta vs tors. theta energy: -40.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -684.902014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.902014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.902014 (E_RNA) where: Base-Base interactions energy: -368.046 where: short stacking energy: -194.540 Base-Backbone interact. energy: -0.715 local terms energy: -316.141046 where: bonds (distance) C4'-P energy: -79.847 bonds (distance) P-C4' energy: -72.192 flat angles C4'-P-C4' energy: -89.543 flat angles P-C4'-P energy: -58.163 tors. eta vs tors. theta energy: -16.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -393.148314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.148314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.148314 (E_RNA) where: Base-Base interactions energy: -162.514 where: short stacking energy: -119.217 Base-Backbone interact. energy: 5.165 local terms energy: -235.800073 where: bonds (distance) C4'-P energy: -60.175 bonds (distance) P-C4' energy: -83.890 flat angles C4'-P-C4' energy: -55.229 flat angles P-C4'-P energy: -48.685 tors. eta vs tors. theta energy: 12.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -362.063683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.063683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.063683 (E_RNA) where: Base-Base interactions energy: -132.468 where: short stacking energy: -110.031 Base-Backbone interact. energy: -1.068 local terms energy: -228.527145 where: bonds (distance) C4'-P energy: -71.074 bonds (distance) P-C4' energy: -80.609 flat angles C4'-P-C4' energy: -60.718 flat angles P-C4'-P energy: -37.916 tors. eta vs tors. theta energy: 21.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1513.611342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.611342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.611342 (E_RNA) where: Base-Base interactions energy: -1014.766 where: short stacking energy: -457.993 Base-Backbone interact. energy: 0.913 local terms energy: -499.758502 where: bonds (distance) C4'-P energy: -91.036 bonds (distance) P-C4' energy: -87.065 flat angles C4'-P-C4' energy: -111.973 flat angles P-C4'-P energy: -71.005 tors. eta vs tors. theta energy: -138.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1467.404032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.404032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.404032 (E_RNA) where: Base-Base interactions energy: -943.562 where: short stacking energy: -455.687 Base-Backbone interact. energy: -0.949 local terms energy: -522.893533 where: bonds (distance) C4'-P energy: -98.728 bonds (distance) P-C4' energy: -101.586 flat angles C4'-P-C4' energy: -112.778 flat angles P-C4'-P energy: -67.661 tors. eta vs tors. theta energy: -142.140 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: 148 Temperature: 1.000000 Total energy: -1321.640641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.640641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.640641 (E_RNA) where: Base-Base interactions energy: -855.762 where: short stacking energy: -403.138 Base-Backbone interact. energy: -1.220 local terms energy: -464.658127 where: bonds (distance) C4'-P energy: -81.014 bonds (distance) P-C4' energy: -94.463 flat angles C4'-P-C4' energy: -107.525 flat angles P-C4'-P energy: -63.716 tors. eta vs tors. theta energy: -117.941 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: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1203.897976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.897976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.897976 (E_RNA) where: Base-Base interactions energy: -772.004 where: short stacking energy: -356.580 Base-Backbone interact. energy: -1.821 local terms energy: -430.073456 where: bonds (distance) C4'-P energy: -99.195 bonds (distance) P-C4' energy: -91.706 flat angles C4'-P-C4' energy: -93.779 flat angles P-C4'-P energy: -59.265 tors. eta vs tors. theta energy: -86.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1081.434978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.434978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.434978 (E_RNA) where: Base-Base interactions energy: -675.027 where: short stacking energy: -311.835 Base-Backbone interact. energy: 0.219 local terms energy: -406.627249 where: bonds (distance) C4'-P energy: -82.160 bonds (distance) P-C4' energy: -94.652 flat angles C4'-P-C4' energy: -92.900 flat angles P-C4'-P energy: -66.933 tors. eta vs tors. theta energy: -69.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -848.516481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.516481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.516481 (E_RNA) where: Base-Base interactions energy: -514.877 where: short stacking energy: -264.036 Base-Backbone interact. energy: -1.373 local terms energy: -332.266245 where: bonds (distance) C4'-P energy: -78.731 bonds (distance) P-C4' energy: -69.761 flat angles C4'-P-C4' energy: -89.016 flat angles P-C4'-P energy: -44.550 tors. eta vs tors. theta energy: -50.209 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: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -855.609211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.609211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.609211 (E_RNA) where: Base-Base interactions energy: -486.882 where: short stacking energy: -233.612 Base-Backbone interact. energy: 0.254 local terms energy: -368.982069 where: bonds (distance) C4'-P energy: -78.136 bonds (distance) P-C4' energy: -93.018 flat angles C4'-P-C4' energy: -91.752 flat angles P-C4'-P energy: -59.622 tors. eta vs tors. theta energy: -46.454 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: 3 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -645.633529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.633529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.633529 (E_RNA) where: Base-Base interactions energy: -350.257 where: short stacking energy: -194.531 Base-Backbone interact. energy: 1.147 local terms energy: -296.523600 where: bonds (distance) C4'-P energy: -69.389 bonds (distance) P-C4' energy: -89.186 flat angles C4'-P-C4' energy: -66.154 flat angles P-C4'-P energy: -47.267 tors. eta vs tors. theta energy: -24.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -427.524931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.524931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.524931 (E_RNA) where: Base-Base interactions energy: -158.276 where: short stacking energy: -136.288 Base-Backbone interact. energy: -3.135 local terms energy: -266.113508 where: bonds (distance) C4'-P energy: -66.854 bonds (distance) P-C4' energy: -91.176 flat angles C4'-P-C4' energy: -70.678 flat angles P-C4'-P energy: -37.451 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -408.977905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.977905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.977905 (E_RNA) where: Base-Base interactions energy: -165.624 where: short stacking energy: -99.149 Base-Backbone interact. energy: 2.017 local terms energy: -245.370955 where: bonds (distance) C4'-P energy: -65.803 bonds (distance) P-C4' energy: -92.977 flat angles C4'-P-C4' energy: -71.725 flat angles P-C4'-P energy: -28.842 tors. eta vs tors. theta energy: 13.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1508.391376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.391376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.391376 (E_RNA) where: Base-Base interactions energy: -1022.745 where: short stacking energy: -433.783 Base-Backbone interact. energy: -3.038 local terms energy: -482.608662 where: bonds (distance) C4'-P energy: -97.120 bonds (distance) P-C4' energy: -97.469 flat angles C4'-P-C4' energy: -104.133 flat angles P-C4'-P energy: -59.778 tors. eta vs tors. theta energy: -124.109 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: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1417.756361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.756361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.756361 (E_RNA) where: Base-Base interactions energy: -931.751 where: short stacking energy: -440.625 Base-Backbone interact. energy: -2.526 local terms energy: -483.479772 where: bonds (distance) C4'-P energy: -94.900 bonds (distance) P-C4' energy: -98.225 flat angles C4'-P-C4' energy: -96.882 flat angles P-C4'-P energy: -69.548 tors. eta vs tors. theta energy: -123.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1269.071398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.071398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.071398 (E_RNA) where: Base-Base interactions energy: -809.366 where: short stacking energy: -341.047 Base-Backbone interact. energy: -2.600 local terms energy: -457.104928 where: bonds (distance) C4'-P energy: -95.363 bonds (distance) P-C4' energy: -96.221 flat angles C4'-P-C4' energy: -109.160 flat angles P-C4'-P energy: -59.767 tors. eta vs tors. theta energy: -96.593 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: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1184.178340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.178340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.178340 (E_RNA) where: Base-Base interactions energy: -764.288 where: short stacking energy: -352.165 Base-Backbone interact. energy: -2.307 local terms energy: -417.583022 where: bonds (distance) C4'-P energy: -78.825 bonds (distance) P-C4' energy: -97.406 flat angles C4'-P-C4' energy: -105.225 flat angles P-C4'-P energy: -55.692 tors. eta vs tors. theta energy: -80.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1087.188014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.188014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.188014 (E_RNA) where: Base-Base interactions energy: -653.242 where: short stacking energy: -319.796 Base-Backbone interact. energy: -1.680 local terms energy: -432.265521 where: bonds (distance) C4'-P energy: -91.221 bonds (distance) P-C4' energy: -104.434 flat angles C4'-P-C4' energy: -91.772 flat angles P-C4'-P energy: -65.483 tors. eta vs tors. theta energy: -79.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -937.032139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.032139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.032139 (E_RNA) where: Base-Base interactions energy: -564.505 where: short stacking energy: -256.726 Base-Backbone interact. energy: -3.127 local terms energy: -369.400135 where: bonds (distance) C4'-P energy: -82.424 bonds (distance) P-C4' energy: -96.840 flat angles C4'-P-C4' energy: -90.036 flat angles P-C4'-P energy: -44.537 tors. eta vs tors. theta energy: -55.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -796.899829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.899829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.899829 (E_RNA) where: Base-Base interactions energy: -460.944 where: short stacking energy: -223.571 Base-Backbone interact. energy: 3.379 local terms energy: -339.335545 where: bonds (distance) C4'-P energy: -86.427 bonds (distance) P-C4' energy: -75.962 flat angles C4'-P-C4' energy: -84.249 flat angles P-C4'-P energy: -54.014 tors. eta vs tors. theta energy: -38.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -666.340089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.340089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.340089 (E_RNA) where: Base-Base interactions energy: -357.142 where: short stacking energy: -190.904 Base-Backbone interact. energy: -2.882 local terms energy: -306.316456 where: bonds (distance) C4'-P energy: -77.197 bonds (distance) P-C4' energy: -90.168 flat angles C4'-P-C4' energy: -57.009 flat angles P-C4'-P energy: -46.712 tors. eta vs tors. theta energy: -35.231 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: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -427.344268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.344268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.344268 (E_RNA) where: Base-Base interactions energy: -162.023 where: short stacking energy: -106.906 Base-Backbone interact. energy: 3.356 local terms energy: -268.677144 where: bonds (distance) C4'-P energy: -82.964 bonds (distance) P-C4' energy: -87.481 flat angles C4'-P-C4' energy: -81.792 flat angles P-C4'-P energy: -31.467 tors. eta vs tors. theta energy: 15.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -390.904729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.904729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.904729 (E_RNA) where: Base-Base interactions energy: -125.894 where: short stacking energy: -101.166 Base-Backbone interact. energy: -0.945 local terms energy: -264.065488 where: bonds (distance) C4'-P energy: -85.276 bonds (distance) P-C4' energy: -83.800 flat angles C4'-P-C4' energy: -75.025 flat angles P-C4'-P energy: -24.929 tors. eta vs tors. theta energy: 4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1545.033598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.033598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.033598 (E_RNA) where: Base-Base interactions energy: -1038.003 where: short stacking energy: -464.385 Base-Backbone interact. energy: -4.641 local terms energy: -502.389510 where: bonds (distance) C4'-P energy: -100.729 bonds (distance) P-C4' energy: -94.380 flat angles C4'-P-C4' energy: -111.358 flat angles P-C4'-P energy: -67.376 tors. eta vs tors. theta energy: -128.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1403.288498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.288498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.288498 (E_RNA) where: Base-Base interactions energy: -910.473 where: short stacking energy: -442.046 Base-Backbone interact. energy: 0.478 local terms energy: -493.293423 where: bonds (distance) C4'-P energy: -101.669 bonds (distance) P-C4' energy: -92.533 flat angles C4'-P-C4' energy: -98.269 flat angles P-C4'-P energy: -72.064 tors. eta vs tors. theta energy: -128.759 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: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1292.151313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.151313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.151313 (E_RNA) where: Base-Base interactions energy: -822.483 where: short stacking energy: -372.463 Base-Backbone interact. energy: 0.365 local terms energy: -470.032825 where: bonds (distance) C4'-P energy: -100.340 bonds (distance) P-C4' energy: -97.154 flat angles C4'-P-C4' energy: -98.093 flat angles P-C4'-P energy: -61.793 tors. eta vs tors. theta energy: -112.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1155.614296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.614296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.614296 (E_RNA) where: Base-Base interactions energy: -730.165 where: short stacking energy: -339.145 Base-Backbone interact. energy: 3.546 local terms energy: -428.995765 where: bonds (distance) C4'-P energy: -101.765 bonds (distance) P-C4' energy: -88.982 flat angles C4'-P-C4' energy: -95.606 flat angles P-C4'-P energy: -57.364 tors. eta vs tors. theta energy: -85.278 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: 10 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1101.744743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.744743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.744743 (E_RNA) where: Base-Base interactions energy: -676.056 where: short stacking energy: -323.211 Base-Backbone interact. energy: 0.651 local terms energy: -426.339988 where: bonds (distance) C4'-P energy: -83.605 bonds (distance) P-C4' energy: -81.607 flat angles C4'-P-C4' energy: -99.130 flat angles P-C4'-P energy: -64.210 tors. eta vs tors. theta energy: -97.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -900.402885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.402885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.402885 (E_RNA) where: Base-Base interactions energy: -524.958 where: short stacking energy: -251.825 Base-Backbone interact. energy: 2.878 local terms energy: -378.322925 where: bonds (distance) C4'-P energy: -82.878 bonds (distance) P-C4' energy: -85.808 flat angles C4'-P-C4' energy: -88.174 flat angles P-C4'-P energy: -61.138 tors. eta vs tors. theta energy: -60.324 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: 7, replica: 7 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -831.323438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.323438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.323438 (E_RNA) where: Base-Base interactions energy: -479.393 where: short stacking energy: -237.529 Base-Backbone interact. energy: 1.186 local terms energy: -353.116005 where: bonds (distance) C4'-P energy: -87.497 bonds (distance) P-C4' energy: -84.426 flat angles C4'-P-C4' energy: -84.913 flat angles P-C4'-P energy: -50.384 tors. eta vs tors. theta energy: -45.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -683.758837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.758837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.758837 (E_RNA) where: Base-Base interactions energy: -369.706 where: short stacking energy: -202.972 Base-Backbone interact. energy: -2.974 local terms energy: -311.079024 where: bonds (distance) C4'-P energy: -70.260 bonds (distance) P-C4' energy: -85.272 flat angles C4'-P-C4' energy: -88.924 flat angles P-C4'-P energy: -52.756 tors. eta vs tors. theta energy: -13.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -410.877553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.877553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.877553 (E_RNA) where: Base-Base interactions energy: -139.077 where: short stacking energy: -111.509 Base-Backbone interact. energy: 1.421 local terms energy: -273.221431 where: bonds (distance) C4'-P energy: -87.125 bonds (distance) P-C4' energy: -85.664 flat angles C4'-P-C4' energy: -73.200 flat angles P-C4'-P energy: -45.756 tors. eta vs tors. theta energy: 18.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -391.021228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.021228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.021228 (E_RNA) where: Base-Base interactions energy: -117.130 where: short stacking energy: -107.780 Base-Backbone interact. energy: -2.466 local terms energy: -271.425485 where: bonds (distance) C4'-P energy: -67.074 bonds (distance) P-C4' energy: -85.375 flat angles C4'-P-C4' energy: -80.113 flat angles P-C4'-P energy: -50.353 tors. eta vs tors. theta energy: 11.490 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: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1473.132070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.132070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.132070 (E_RNA) where: Base-Base interactions energy: -973.785 where: short stacking energy: -443.676 Base-Backbone interact. energy: -3.462 local terms energy: -495.884982 where: bonds (distance) C4'-P energy: -99.769 bonds (distance) P-C4' energy: -100.985 flat angles C4'-P-C4' energy: -104.303 flat angles P-C4'-P energy: -64.159 tors. eta vs tors. theta energy: -126.668 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: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1384.646504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.646504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.646504 (E_RNA) where: Base-Base interactions energy: -884.145 where: short stacking energy: -432.556 Base-Backbone interact. energy: -0.673 local terms energy: -499.829395 where: bonds (distance) C4'-P energy: -93.662 bonds (distance) P-C4' energy: -91.922 flat angles C4'-P-C4' energy: -111.640 flat angles P-C4'-P energy: -77.478 tors. eta vs tors. theta energy: -125.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1279.319333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.319333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.319333 (E_RNA) where: Base-Base interactions energy: -839.020 where: short stacking energy: -405.282 Base-Backbone interact. energy: -1.666 local terms energy: -438.633716 where: bonds (distance) C4'-P energy: -84.931 bonds (distance) P-C4' energy: -81.968 flat angles C4'-P-C4' energy: -99.322 flat angles P-C4'-P energy: -56.712 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: 4, replica: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1212.329528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.329528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.329528 (E_RNA) where: Base-Base interactions energy: -785.210 where: short stacking energy: -353.939 Base-Backbone interact. energy: -2.520 local terms energy: -424.599515 where: bonds (distance) C4'-P energy: -83.661 bonds (distance) P-C4' energy: -88.257 flat angles C4'-P-C4' energy: -102.549 flat angles P-C4'-P energy: -54.217 tors. eta vs tors. theta energy: -95.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1077.747717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.747717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.747717 (E_RNA) where: Base-Base interactions energy: -684.017 where: short stacking energy: -316.456 Base-Backbone interact. energy: 1.572 local terms energy: -395.302843 where: bonds (distance) C4'-P energy: -102.131 bonds (distance) P-C4' energy: -84.970 flat angles C4'-P-C4' energy: -88.234 flat angles P-C4'-P energy: -44.517 tors. eta vs tors. theta energy: -75.451 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: 6, replica: 5 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -890.401239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.401239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.401239 (E_RNA) where: Base-Base interactions energy: -540.833 where: short stacking energy: -264.539 Base-Backbone interact. energy: 1.413 local terms energy: -350.981013 where: bonds (distance) C4'-P energy: -81.858 bonds (distance) P-C4' energy: -73.700 flat angles C4'-P-C4' energy: -79.659 flat angles P-C4'-P energy: -58.700 tors. eta vs tors. theta energy: -57.063 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: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -701.757146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.757146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.757146 (E_RNA) where: Base-Base interactions energy: -417.996 where: short stacking energy: -233.829 Base-Backbone interact. energy: 5.749 local terms energy: -289.509835 where: bonds (distance) C4'-P energy: -65.196 bonds (distance) P-C4' energy: -80.537 flat angles C4'-P-C4' energy: -59.229 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: -36.448 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: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -672.305351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.305351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.305351 (E_RNA) where: Base-Base interactions energy: -374.337 where: short stacking energy: -200.129 Base-Backbone interact. energy: 4.666 local terms energy: -302.634874 where: bonds (distance) C4'-P energy: -76.391 bonds (distance) P-C4' energy: -81.030 flat angles C4'-P-C4' energy: -76.933 flat angles P-C4'-P energy: -50.832 tors. eta vs tors. theta energy: -17.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -456.851523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.851523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.851523 (E_RNA) where: Base-Base interactions energy: -192.223 where: short stacking energy: -124.342 Base-Backbone interact. energy: -0.826 local terms energy: -263.802957 where: bonds (distance) C4'-P energy: -100.315 bonds (distance) P-C4' energy: -77.830 flat angles C4'-P-C4' energy: -57.677 flat angles P-C4'-P energy: -32.869 tors. eta vs tors. theta energy: 4.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -385.200829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.200829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.200829 (E_RNA) where: Base-Base interactions energy: -139.545 where: short stacking energy: -102.963 Base-Backbone interact. energy: 2.476 local terms energy: -248.132273 where: bonds (distance) C4'-P energy: -80.337 bonds (distance) P-C4' energy: -97.057 flat angles C4'-P-C4' energy: -61.217 flat angles P-C4'-P energy: -25.613 tors. eta vs tors. theta energy: 16.092 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: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1490.372953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.372953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.372953 (E_RNA) where: Base-Base interactions energy: -983.742 where: short stacking energy: -465.467 Base-Backbone interact. energy: -3.329 local terms energy: -503.301941 where: bonds (distance) C4'-P energy: -95.112 bonds (distance) P-C4' energy: -100.644 flat angles C4'-P-C4' energy: -104.714 flat angles P-C4'-P energy: -61.302 tors. eta vs tors. theta energy: -141.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1389.645018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.645018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.645018 (E_RNA) where: Base-Base interactions energy: -921.665 where: short stacking energy: -451.195 Base-Backbone interact. energy: -3.122 local terms energy: -464.858343 where: bonds (distance) C4'-P energy: -79.637 bonds (distance) P-C4' energy: -81.367 flat angles C4'-P-C4' energy: -103.890 flat angles P-C4'-P energy: -73.945 tors. eta vs tors. theta energy: -126.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1272.672397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.672397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.672397 (E_RNA) where: Base-Base interactions energy: -833.333 where: short stacking energy: -378.650 Base-Backbone interact. energy: -1.735 local terms energy: -437.604928 where: bonds (distance) C4'-P energy: -79.630 bonds (distance) P-C4' energy: -86.051 flat angles C4'-P-C4' energy: -96.767 flat angles P-C4'-P energy: -69.674 tors. eta vs tors. theta energy: -105.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1173.232254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.232254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.232254 (E_RNA) where: Base-Base interactions energy: -750.198 where: short stacking energy: -335.417 Base-Backbone interact. energy: -1.446 local terms energy: -421.588908 where: bonds (distance) C4'-P energy: -75.546 bonds (distance) P-C4' energy: -95.708 flat angles C4'-P-C4' energy: -105.476 flat angles P-C4'-P energy: -64.229 tors. eta vs tors. theta energy: -80.629 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: 10 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1066.032508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.032508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.032508 (E_RNA) where: Base-Base interactions energy: -662.306 where: short stacking energy: -308.122 Base-Backbone interact. energy: -0.553 local terms energy: -403.173101 where: bonds (distance) C4'-P energy: -83.129 bonds (distance) P-C4' energy: -91.185 flat angles C4'-P-C4' energy: -90.565 flat angles P-C4'-P energy: -58.793 tors. eta vs tors. theta energy: -79.501 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: 152 Temperature: 1.150000 Total energy: -853.094712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.094712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.094712 (E_RNA) where: Base-Base interactions energy: -482.717 where: short stacking energy: -253.731 Base-Backbone interact. energy: 0.295 local terms energy: -370.672955 where: bonds (distance) C4'-P energy: -106.472 bonds (distance) P-C4' energy: -75.526 flat angles C4'-P-C4' energy: -84.115 flat angles P-C4'-P energy: -51.368 tors. eta vs tors. theta energy: -53.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -756.680352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.680352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.680352 (E_RNA) where: Base-Base interactions energy: -419.018 where: short stacking energy: -220.762 Base-Backbone interact. energy: -0.400 local terms energy: -337.262392 where: bonds (distance) C4'-P energy: -84.162 bonds (distance) P-C4' energy: -92.180 flat angles C4'-P-C4' energy: -90.988 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -26.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -619.401864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.401864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.401864 (E_RNA) where: Base-Base interactions energy: -320.075 where: short stacking energy: -175.455 Base-Backbone interact. energy: 0.296 local terms energy: -299.623457 where: bonds (distance) C4'-P energy: -75.526 bonds (distance) P-C4' energy: -91.312 flat angles C4'-P-C4' energy: -83.697 flat angles P-C4'-P energy: -40.665 tors. eta vs tors. theta energy: -8.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -484.064049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.064049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.064049 (E_RNA) where: Base-Base interactions energy: -201.201 where: short stacking energy: -138.510 Base-Backbone interact. energy: -1.957 local terms energy: -280.905842 where: bonds (distance) C4'-P energy: -86.465 bonds (distance) P-C4' energy: -75.543 flat angles C4'-P-C4' energy: -82.157 flat angles P-C4'-P energy: -47.239 tors. eta vs tors. theta energy: 10.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -378.480405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.480405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.480405 (E_RNA) where: Base-Base interactions energy: -158.410 where: short stacking energy: -90.845 Base-Backbone interact. energy: 2.132 local terms energy: -222.202230 where: bonds (distance) C4'-P energy: -69.789 bonds (distance) P-C4' energy: -88.818 flat angles C4'-P-C4' energy: -47.352 flat angles P-C4'-P energy: -37.566 tors. eta vs tors. theta energy: 21.323 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: 1, replica: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1483.825800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.825800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.825800 (E_RNA) where: Base-Base interactions energy: -985.174 where: short stacking energy: -426.517 Base-Backbone interact. energy: -2.369 local terms energy: -496.282821 where: bonds (distance) C4'-P energy: -96.651 bonds (distance) P-C4' energy: -94.052 flat angles C4'-P-C4' energy: -110.199 flat angles P-C4'-P energy: -67.665 tors. eta vs tors. theta energy: -127.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1376.556338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.556338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.556338 (E_RNA) where: Base-Base interactions energy: -893.039 where: short stacking energy: -419.137 Base-Backbone interact. energy: -1.849 local terms energy: -481.668577 where: bonds (distance) C4'-P energy: -95.737 bonds (distance) P-C4' energy: -85.708 flat angles C4'-P-C4' energy: -108.381 flat angles P-C4'-P energy: -72.492 tors. eta vs tors. theta energy: -119.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1293.039777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.039777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.039777 (E_RNA) where: Base-Base interactions energy: -842.732 where: short stacking energy: -386.134 Base-Backbone interact. energy: -0.963 local terms energy: -449.345297 where: bonds (distance) C4'-P energy: -74.806 bonds (distance) P-C4' energy: -102.437 flat angles C4'-P-C4' energy: -104.505 flat angles P-C4'-P energy: -59.791 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: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1188.536261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.536261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.536261 (E_RNA) where: Base-Base interactions energy: -789.203 where: short stacking energy: -362.230 Base-Backbone interact. energy: 1.989 local terms energy: -401.322323 where: bonds (distance) C4'-P energy: -77.378 bonds (distance) P-C4' energy: -77.132 flat angles C4'-P-C4' energy: -100.835 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: -87.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1071.288673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.288673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.288673 (E_RNA) where: Base-Base interactions energy: -655.803 where: short stacking energy: -315.556 Base-Backbone interact. energy: -0.548 local terms energy: -414.936986 where: bonds (distance) C4'-P energy: -83.551 bonds (distance) P-C4' energy: -95.176 flat angles C4'-P-C4' energy: -92.519 flat angles P-C4'-P energy: -61.732 tors. eta vs tors. theta energy: -81.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -836.272343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.272343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.272343 (E_RNA) where: Base-Base interactions energy: -476.827 where: short stacking energy: -236.703 Base-Backbone interact. energy: -0.837 local terms energy: -358.607974 where: bonds (distance) C4'-P energy: -90.963 bonds (distance) P-C4' energy: -79.217 flat angles C4'-P-C4' energy: -94.772 flat angles P-C4'-P energy: -58.716 tors. eta vs tors. theta energy: -34.939 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: 7 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -735.714817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.714817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.714817 (E_RNA) where: Base-Base interactions energy: -432.361 where: short stacking energy: -227.020 Base-Backbone interact. energy: 0.351 local terms energy: -303.704124 where: bonds (distance) C4'-P energy: -64.491 bonds (distance) P-C4' energy: -77.597 flat angles C4'-P-C4' energy: -84.103 flat angles P-C4'-P energy: -42.352 tors. eta vs tors. theta energy: -35.161 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: 3 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -673.680454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.680454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.680454 (E_RNA) where: Base-Base interactions energy: -371.095 where: short stacking energy: -199.438 Base-Backbone interact. energy: -1.979 local terms energy: -300.606446 where: bonds (distance) C4'-P energy: -80.113 bonds (distance) P-C4' energy: -72.752 flat angles C4'-P-C4' energy: -81.327 flat angles P-C4'-P energy: -37.664 tors. eta vs tors. theta energy: -28.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -482.298796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.298796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.298796 (E_RNA) where: Base-Base interactions energy: -200.143 where: short stacking energy: -121.472 Base-Backbone interact. energy: 5.685 local terms energy: -287.840898 where: bonds (distance) C4'-P energy: -77.663 bonds (distance) P-C4' energy: -94.730 flat angles C4'-P-C4' energy: -76.344 flat angles P-C4'-P energy: -38.939 tors. eta vs tors. theta energy: -0.166 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: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -403.525241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.525241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.525241 (E_RNA) where: Base-Base interactions energy: -137.014 where: short stacking energy: -109.795 Base-Backbone interact. energy: -3.440 local terms energy: -263.070734 where: bonds (distance) C4'-P energy: -88.796 bonds (distance) P-C4' energy: -86.100 flat angles C4'-P-C4' energy: -48.236 flat angles P-C4'-P energy: -57.972 tors. eta vs tors. theta energy: 18.033 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: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1476.492988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.492988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.492988 (E_RNA) where: Base-Base interactions energy: -993.950 where: short stacking energy: -456.452 Base-Backbone interact. energy: -3.563 local terms energy: -478.980092 where: bonds (distance) C4'-P energy: -93.009 bonds (distance) P-C4' energy: -79.823 flat angles C4'-P-C4' energy: -94.097 flat angles P-C4'-P energy: -75.286 tors. eta vs tors. theta energy: -136.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1363.629302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.629302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.629302 (E_RNA) where: Base-Base interactions energy: -880.478 where: short stacking energy: -407.184 Base-Backbone interact. energy: -0.271 local terms energy: -482.880420 where: bonds (distance) C4'-P energy: -104.834 bonds (distance) P-C4' energy: -92.514 flat angles C4'-P-C4' energy: -100.941 flat angles P-C4'-P energy: -66.210 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: 3, replica: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1255.261591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.261591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.261591 (E_RNA) where: Base-Base interactions energy: -798.907 where: short stacking energy: -371.746 Base-Backbone interact. energy: -0.894 local terms energy: -455.461156 where: bonds (distance) C4'-P energy: -99.476 bonds (distance) P-C4' energy: -105.837 flat angles C4'-P-C4' energy: -97.698 flat angles P-C4'-P energy: -53.755 tors. eta vs tors. theta energy: -98.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1228.210099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.210099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.210099 (E_RNA) where: Base-Base interactions energy: -787.066 where: short stacking energy: -361.567 Base-Backbone interact. energy: 1.105 local terms energy: -442.249436 where: bonds (distance) C4'-P energy: -88.687 bonds (distance) P-C4' energy: -87.068 flat angles C4'-P-C4' energy: -93.551 flat angles P-C4'-P energy: -68.124 tors. eta vs tors. theta energy: -104.820 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: 10 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1117.162518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.162518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.162518 (E_RNA) where: Base-Base interactions energy: -696.100 where: short stacking energy: -325.324 Base-Backbone interact. energy: -0.931 local terms energy: -420.131711 where: bonds (distance) C4'-P energy: -97.374 bonds (distance) P-C4' energy: -88.292 flat angles C4'-P-C4' energy: -85.545 flat angles P-C4'-P energy: -71.772 tors. eta vs tors. theta energy: -77.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -928.644688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.644688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.644688 (E_RNA) where: Base-Base interactions energy: -532.146 where: short stacking energy: -254.981 Base-Backbone interact. energy: -1.144 local terms energy: -395.354840 where: bonds (distance) C4'-P energy: -97.587 bonds (distance) P-C4' energy: -93.565 flat angles C4'-P-C4' energy: -89.871 flat angles P-C4'-P energy: -54.851 tors. eta vs tors. theta energy: -59.481 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: 7, replica: 7 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -735.876349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.876349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.876349 (E_RNA) where: Base-Base interactions energy: -429.347 where: short stacking energy: -224.543 Base-Backbone interact. energy: -1.186 local terms energy: -305.343421 where: bonds (distance) C4'-P energy: -69.707 bonds (distance) P-C4' energy: -79.260 flat angles C4'-P-C4' energy: -73.421 flat angles P-C4'-P energy: -46.789 tors. eta vs tors. theta energy: -36.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -730.771849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.771849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.771849 (E_RNA) where: Base-Base interactions energy: -396.191 where: short stacking energy: -208.261 Base-Backbone interact. energy: 0.088 local terms energy: -334.668346 where: bonds (distance) C4'-P energy: -84.788 bonds (distance) P-C4' energy: -71.179 flat angles C4'-P-C4' energy: -77.950 flat angles P-C4'-P energy: -61.269 tors. eta vs tors. theta energy: -39.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -480.581320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.581320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.581320 (E_RNA) where: Base-Base interactions energy: -223.428 where: short stacking energy: -126.599 Base-Backbone interact. energy: -2.603 local terms energy: -254.550084 where: bonds (distance) C4'-P energy: -85.870 bonds (distance) P-C4' energy: -79.339 flat angles C4'-P-C4' energy: -60.393 flat angles P-C4'-P energy: -44.762 tors. eta vs tors. theta energy: 15.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -365.324141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.324141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.324141 (E_RNA) where: Base-Base interactions energy: -119.872 where: short stacking energy: -90.202 Base-Backbone interact. energy: 1.006 local terms energy: -246.458104 where: bonds (distance) C4'-P energy: -66.546 bonds (distance) P-C4' energy: -95.261 flat angles C4'-P-C4' energy: -71.449 flat angles P-C4'-P energy: -41.308 tors. eta vs tors. theta energy: 28.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1454.847927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.847927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.847927 (E_RNA) where: Base-Base interactions energy: -962.511 where: short stacking energy: -452.150 Base-Backbone interact. energy: 5.410 local terms energy: -497.746501 where: bonds (distance) C4'-P energy: -99.932 bonds (distance) P-C4' energy: -90.484 flat angles C4'-P-C4' energy: -104.574 flat angles P-C4'-P energy: -69.203 tors. eta vs tors. theta energy: -133.554 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: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1365.555758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.555758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.555758 (E_RNA) where: Base-Base interactions energy: -898.469 where: short stacking energy: -406.014 Base-Backbone interact. energy: -1.723 local terms energy: -465.363950 where: bonds (distance) C4'-P energy: -100.428 bonds (distance) P-C4' energy: -92.380 flat angles C4'-P-C4' energy: -95.422 flat angles P-C4'-P energy: -66.538 tors. eta vs tors. theta energy: -110.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1258.833227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.833227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.833227 (E_RNA) where: Base-Base interactions energy: -797.357 where: short stacking energy: -376.093 Base-Backbone interact. energy: -2.517 local terms energy: -458.959495 where: bonds (distance) C4'-P energy: -88.174 bonds (distance) P-C4' energy: -104.263 flat angles C4'-P-C4' energy: -103.975 flat angles P-C4'-P energy: -63.440 tors. eta vs tors. theta energy: -99.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1230.569147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.569147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.569147 (E_RNA) where: Base-Base interactions energy: -789.230 where: short stacking energy: -364.752 Base-Backbone interact. energy: 2.510 local terms energy: -443.849961 where: bonds (distance) C4'-P energy: -88.586 bonds (distance) P-C4' energy: -90.954 flat angles C4'-P-C4' energy: -92.962 flat angles P-C4'-P energy: -65.776 tors. eta vs tors. theta energy: -105.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1082.305962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.305962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.305962 (E_RNA) where: Base-Base interactions energy: -686.489 where: short stacking energy: -348.836 Base-Backbone interact. energy: -1.320 local terms energy: -394.496635 where: bonds (distance) C4'-P energy: -72.059 bonds (distance) P-C4' energy: -81.196 flat angles C4'-P-C4' energy: -99.735 flat angles P-C4'-P energy: -50.227 tors. eta vs tors. theta energy: -91.279 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: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -874.280924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.280924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.280924 (E_RNA) where: Base-Base interactions energy: -523.882 where: short stacking energy: -278.387 Base-Backbone interact. energy: 1.482 local terms energy: -351.880766 where: bonds (distance) C4'-P energy: -80.709 bonds (distance) P-C4' energy: -87.179 flat angles C4'-P-C4' energy: -75.613 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: -60.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -731.935499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.935499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.935499 (E_RNA) where: Base-Base interactions energy: -417.894 where: short stacking energy: -251.294 Base-Backbone interact. energy: 4.818 local terms energy: -318.859097 where: bonds (distance) C4'-P energy: -72.773 bonds (distance) P-C4' energy: -79.827 flat angles C4'-P-C4' energy: -76.607 flat angles P-C4'-P energy: -51.673 tors. eta vs tors. theta energy: -37.978 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: 3 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -713.349495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.349495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.349495 (E_RNA) where: Base-Base interactions energy: -390.782 where: short stacking energy: -210.581 Base-Backbone interact. energy: -2.250 local terms energy: -320.317790 where: bonds (distance) C4'-P energy: -79.478 bonds (distance) P-C4' energy: -83.002 flat angles C4'-P-C4' energy: -81.186 flat angles P-C4'-P energy: -49.668 tors. eta vs tors. theta energy: -26.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -455.828745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.828745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.828745 (E_RNA) where: Base-Base interactions energy: -222.688 where: short stacking energy: -144.369 Base-Backbone interact. energy: 2.133 local terms energy: -235.274355 where: bonds (distance) C4'-P energy: -79.138 bonds (distance) P-C4' energy: -83.522 flat angles C4'-P-C4' energy: -44.671 flat angles P-C4'-P energy: -33.626 tors. eta vs tors. theta energy: 5.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -363.267327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.267327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.267327 (E_RNA) where: Base-Base interactions energy: -127.513 where: short stacking energy: -116.167 Base-Backbone interact. energy: 0.217 local terms energy: -235.971919 where: bonds (distance) C4'-P energy: -70.921 bonds (distance) P-C4' energy: -82.806 flat angles C4'-P-C4' energy: -51.820 flat angles P-C4'-P energy: -46.125 tors. eta vs tors. theta energy: 15.700 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: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1452.871810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.871810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.871810 (E_RNA) where: Base-Base interactions energy: -950.339 where: short stacking energy: -430.321 Base-Backbone interact. energy: -2.906 local terms energy: -499.626597 where: bonds (distance) C4'-P energy: -97.638 bonds (distance) P-C4' energy: -88.945 flat angles C4'-P-C4' energy: -108.440 flat angles P-C4'-P energy: -75.526 tors. eta vs tors. theta energy: -129.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1362.292963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.292963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.292963 (E_RNA) where: Base-Base interactions energy: -880.758 where: short stacking energy: -431.071 Base-Backbone interact. energy: -0.605 local terms energy: -480.929380 where: bonds (distance) C4'-P energy: -88.327 bonds (distance) P-C4' energy: -98.131 flat angles C4'-P-C4' energy: -98.179 flat angles P-C4'-P energy: -77.553 tors. eta vs tors. theta energy: -118.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1251.859923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.859923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.859923 (E_RNA) where: Base-Base interactions energy: -809.285 where: short stacking energy: -378.671 Base-Backbone interact. energy: -0.557 local terms energy: -442.018143 where: bonds (distance) C4'-P energy: -95.609 bonds (distance) P-C4' energy: -84.438 flat angles C4'-P-C4' energy: -103.443 flat angles P-C4'-P energy: -58.388 tors. eta vs tors. theta energy: -100.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1166.371333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.371333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.371333 (E_RNA) where: Base-Base interactions energy: -717.399 where: short stacking energy: -360.616 Base-Backbone interact. energy: -2.726 local terms energy: -446.246555 where: bonds (distance) C4'-P energy: -93.747 bonds (distance) P-C4' energy: -94.763 flat angles C4'-P-C4' energy: -100.000 flat angles P-C4'-P energy: -67.897 tors. eta vs tors. theta energy: -89.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1107.517269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.517269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.517269 (E_RNA) where: Base-Base interactions energy: -701.256 where: short stacking energy: -333.731 Base-Backbone interact. energy: -1.116 local terms energy: -405.145441 where: bonds (distance) C4'-P energy: -96.863 bonds (distance) P-C4' energy: -83.490 flat angles C4'-P-C4' energy: -84.117 flat angles P-C4'-P energy: -55.001 tors. eta vs tors. theta energy: -85.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -891.094335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.094335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.094335 (E_RNA) where: Base-Base interactions energy: -524.897 where: short stacking energy: -263.744 Base-Backbone interact. energy: 0.184 local terms energy: -366.381561 where: bonds (distance) C4'-P energy: -81.624 bonds (distance) P-C4' energy: -69.970 flat angles C4'-P-C4' energy: -91.013 flat angles P-C4'-P energy: -61.170 tors. eta vs tors. theta energy: -62.606 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: 3 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -721.684635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.684635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.684635 (E_RNA) where: Base-Base interactions energy: -408.498 where: short stacking energy: -243.553 Base-Backbone interact. energy: 1.730 local terms energy: -314.916498 where: bonds (distance) C4'-P energy: -64.780 bonds (distance) P-C4' energy: -87.514 flat angles C4'-P-C4' energy: -83.386 flat angles P-C4'-P energy: -47.488 tors. eta vs tors. theta energy: -31.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -596.195604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.195604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.195604 (E_RNA) where: Base-Base interactions energy: -311.556 where: short stacking energy: -178.472 Base-Backbone interact. energy: 1.535 local terms energy: -286.174405 where: bonds (distance) C4'-P energy: -82.626 bonds (distance) P-C4' energy: -72.844 flat angles C4'-P-C4' energy: -67.839 flat angles P-C4'-P energy: -45.893 tors. eta vs tors. theta energy: -16.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -490.427246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.427246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.427246 (E_RNA) where: Base-Base interactions energy: -215.481 where: short stacking energy: -145.644 Base-Backbone interact. energy: 0.604 local terms energy: -275.549755 where: bonds (distance) C4'-P energy: -79.670 bonds (distance) P-C4' energy: -78.770 flat angles C4'-P-C4' energy: -75.582 flat angles P-C4'-P energy: -38.242 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -379.717426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.717426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.717426 (E_RNA) where: Base-Base interactions energy: -142.814 where: short stacking energy: -115.952 Base-Backbone interact. energy: 2.015 local terms energy: -238.918076 where: bonds (distance) C4'-P energy: -77.750 bonds (distance) P-C4' energy: -83.723 flat angles C4'-P-C4' energy: -58.124 flat angles P-C4'-P energy: -24.733 tors. eta vs tors. theta energy: 5.411 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: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1484.797307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.797307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.797307 (E_RNA) where: Base-Base interactions energy: -997.734 where: short stacking energy: -449.785 Base-Backbone interact. energy: -3.321 local terms energy: -483.742741 where: bonds (distance) C4'-P energy: -87.662 bonds (distance) P-C4' energy: -93.690 flat angles C4'-P-C4' energy: -109.109 flat angles P-C4'-P energy: -57.971 tors. eta vs tors. theta energy: -135.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1373.113446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.113446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.113446 (E_RNA) where: Base-Base interactions energy: -898.416 where: short stacking energy: -423.565 Base-Backbone interact. energy: -1.134 local terms energy: -473.563074 where: bonds (distance) C4'-P energy: -87.144 bonds (distance) P-C4' energy: -89.801 flat angles C4'-P-C4' energy: -104.936 flat angles P-C4'-P energy: -69.904 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: 3, replica: 2 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1249.354982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.354982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.354982 (E_RNA) where: Base-Base interactions energy: -817.050 where: short stacking energy: -391.623 Base-Backbone interact. energy: 0.009 local terms energy: -432.313224 where: bonds (distance) C4'-P energy: -88.026 bonds (distance) P-C4' energy: -91.091 flat angles C4'-P-C4' energy: -92.664 flat angles P-C4'-P energy: -68.077 tors. eta vs tors. theta energy: -92.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1151.627354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.627354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.627354 (E_RNA) where: Base-Base interactions energy: -743.949 where: short stacking energy: -345.161 Base-Backbone interact. energy: 1.209 local terms energy: -408.887219 where: bonds (distance) C4'-P energy: -93.637 bonds (distance) P-C4' energy: -79.072 flat angles C4'-P-C4' energy: -94.394 flat angles P-C4'-P energy: -56.327 tors. eta vs tors. theta energy: -85.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1092.334481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.334481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.334481 (E_RNA) where: Base-Base interactions energy: -675.207 where: short stacking energy: -324.408 Base-Backbone interact. energy: 0.515 local terms energy: -417.642544 where: bonds (distance) C4'-P energy: -97.950 bonds (distance) P-C4' energy: -86.126 flat angles C4'-P-C4' energy: -93.466 flat angles P-C4'-P energy: -57.915 tors. eta vs tors. theta energy: -82.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -887.938856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.938856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.938856 (E_RNA) where: Base-Base interactions energy: -544.724 where: short stacking energy: -268.614 Base-Backbone interact. energy: 5.802 local terms energy: -349.016756 where: bonds (distance) C4'-P energy: -85.099 bonds (distance) P-C4' energy: -88.554 flat angles C4'-P-C4' energy: -83.156 flat angles P-C4'-P energy: -51.091 tors. eta vs tors. theta energy: -41.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -753.401009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.401009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.401009 (E_RNA) where: Base-Base interactions energy: -403.245 where: short stacking energy: -221.834 Base-Backbone interact. energy: 0.455 local terms energy: -350.611157 where: bonds (distance) C4'-P energy: -83.365 bonds (distance) P-C4' energy: -84.781 flat angles C4'-P-C4' energy: -84.453 flat angles P-C4'-P energy: -51.951 tors. eta vs tors. theta energy: -46.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -566.088263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.088263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.088263 (E_RNA) where: Base-Base interactions energy: -289.420 where: short stacking energy: -199.508 Base-Backbone interact. energy: 0.881 local terms energy: -277.549091 where: bonds (distance) C4'-P energy: -57.528 bonds (distance) P-C4' energy: -78.417 flat angles C4'-P-C4' energy: -80.854 flat angles P-C4'-P energy: -51.457 tors. eta vs tors. theta energy: -9.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -464.951756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.951756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.951756 (E_RNA) where: Base-Base interactions energy: -195.488 where: short stacking energy: -139.279 Base-Backbone interact. energy: -0.183 local terms energy: -269.280645 where: bonds (distance) C4'-P energy: -87.115 bonds (distance) P-C4' energy: -84.902 flat angles C4'-P-C4' energy: -62.250 flat angles P-C4'-P energy: -36.413 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: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -373.794855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.794855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.794855 (E_RNA) where: Base-Base interactions energy: -141.006 where: short stacking energy: -84.825 Base-Backbone interact. energy: -3.069 local terms energy: -229.719072 where: bonds (distance) C4'-P energy: -87.019 bonds (distance) P-C4' energy: -59.043 flat angles C4'-P-C4' energy: -61.241 flat angles P-C4'-P energy: -39.090 tors. eta vs tors. theta energy: 16.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1480.209544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.209544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.209544 (E_RNA) where: Base-Base interactions energy: -968.220 where: short stacking energy: -430.833 Base-Backbone interact. energy: -2.695 local terms energy: -509.294486 where: bonds (distance) C4'-P energy: -100.502 bonds (distance) P-C4' energy: -105.030 flat angles C4'-P-C4' energy: -104.943 flat angles P-C4'-P energy: -70.329 tors. eta vs tors. theta energy: -128.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1385.007454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.007454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.007454 (E_RNA) where: Base-Base interactions energy: -903.926 where: short stacking energy: -418.250 Base-Backbone interact. energy: 0.331 local terms energy: -481.412904 where: bonds (distance) C4'-P energy: -106.789 bonds (distance) P-C4' energy: -81.106 flat angles C4'-P-C4' energy: -103.259 flat angles P-C4'-P energy: -65.793 tors. eta vs tors. theta energy: -124.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1282.225523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.225523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.225523 (E_RNA) where: Base-Base interactions energy: -836.816 where: short stacking energy: -363.678 Base-Backbone interact. energy: -0.722 local terms energy: -444.687449 where: bonds (distance) C4'-P energy: -90.193 bonds (distance) P-C4' energy: -94.184 flat angles C4'-P-C4' energy: -94.511 flat angles P-C4'-P energy: -63.387 tors. eta vs tors. theta energy: -102.413 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: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1160.403346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.403346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.403346 (E_RNA) where: Base-Base interactions energy: -731.592 where: short stacking energy: -381.065 Base-Backbone interact. energy: -0.556 local terms energy: -428.255675 where: bonds (distance) C4'-P energy: -75.129 bonds (distance) P-C4' energy: -93.418 flat angles C4'-P-C4' energy: -98.811 flat angles P-C4'-P energy: -56.837 tors. eta vs tors. theta energy: -104.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1069.617833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.617833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.617833 (E_RNA) where: Base-Base interactions energy: -665.219 where: short stacking energy: -320.763 Base-Backbone interact. energy: -0.830 local terms energy: -403.568786 where: bonds (distance) C4'-P energy: -74.604 bonds (distance) P-C4' energy: -103.142 flat angles C4'-P-C4' energy: -82.737 flat angles P-C4'-P energy: -59.125 tors. eta vs tors. theta energy: -83.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -902.340667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.340667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.340667 (E_RNA) where: Base-Base interactions energy: -546.014 where: short stacking energy: -241.088 Base-Backbone interact. energy: -1.838 local terms energy: -354.488759 where: bonds (distance) C4'-P energy: -86.344 bonds (distance) P-C4' energy: -78.488 flat angles C4'-P-C4' energy: -74.090 flat angles P-C4'-P energy: -62.916 tors. eta vs tors. theta energy: -52.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -720.293438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.293438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.293438 (E_RNA) where: Base-Base interactions energy: -373.845 where: short stacking energy: -225.559 Base-Backbone interact. energy: -0.309 local terms energy: -346.139169 where: bonds (distance) C4'-P energy: -74.881 bonds (distance) P-C4' energy: -94.671 flat angles C4'-P-C4' energy: -78.654 flat angles P-C4'-P energy: -51.625 tors. eta vs tors. theta energy: -46.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -571.084070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.084070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.084070 (E_RNA) where: Base-Base interactions energy: -285.283 where: short stacking energy: -196.381 Base-Backbone interact. energy: -1.006 local terms energy: -284.795414 where: bonds (distance) C4'-P energy: -61.773 bonds (distance) P-C4' energy: -81.331 flat angles C4'-P-C4' energy: -82.399 flat angles P-C4'-P energy: -55.391 tors. eta vs tors. theta energy: -3.901 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: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -451.157812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.157812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.157812 (E_RNA) where: Base-Base interactions energy: -207.276 where: short stacking energy: -121.707 Base-Backbone interact. energy: -1.543 local terms energy: -242.338857 where: bonds (distance) C4'-P energy: -77.928 bonds (distance) P-C4' energy: -72.939 flat angles C4'-P-C4' energy: -56.930 flat angles P-C4'-P energy: -38.139 tors. eta vs tors. theta energy: 3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -430.299136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.299136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.299136 (E_RNA) where: Base-Base interactions energy: -144.325 where: short stacking energy: -120.612 Base-Backbone interact. energy: 1.528 local terms energy: -287.502113 where: bonds (distance) C4'-P energy: -88.288 bonds (distance) P-C4' energy: -103.474 flat angles C4'-P-C4' energy: -64.556 flat angles P-C4'-P energy: -45.843 tors. eta vs tors. theta energy: 14.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1497.253523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.253523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.253523 (E_RNA) where: Base-Base interactions energy: -999.219 where: short stacking energy: -466.553 Base-Backbone interact. energy: -2.824 local terms energy: -495.210541 where: bonds (distance) C4'-P energy: -94.454 bonds (distance) P-C4' energy: -97.272 flat angles C4'-P-C4' energy: -105.685 flat angles P-C4'-P energy: -61.419 tors. eta vs tors. theta energy: -136.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1385.480530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.480530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.480530 (E_RNA) where: Base-Base interactions energy: -914.609 where: short stacking energy: -436.765 Base-Backbone interact. energy: -2.031 local terms energy: -468.840575 where: bonds (distance) C4'-P energy: -100.641 bonds (distance) P-C4' energy: -88.595 flat angles C4'-P-C4' energy: -95.543 flat angles P-C4'-P energy: -58.353 tors. eta vs tors. theta energy: -125.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1249.598922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.598922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.598922 (E_RNA) where: Base-Base interactions energy: -817.629 where: short stacking energy: -363.426 Base-Backbone interact. energy: 1.650 local terms energy: -433.620051 where: bonds (distance) C4'-P energy: -89.715 bonds (distance) P-C4' energy: -83.857 flat angles C4'-P-C4' energy: -100.814 flat angles P-C4'-P energy: -70.365 tors. eta vs tors. theta energy: -88.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1172.094437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.094437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.094437 (E_RNA) where: Base-Base interactions energy: -714.208 where: short stacking energy: -356.396 Base-Backbone interact. energy: -0.427 local terms energy: -457.460201 where: bonds (distance) C4'-P energy: -87.096 bonds (distance) P-C4' energy: -101.174 flat angles C4'-P-C4' energy: -101.067 flat angles P-C4'-P energy: -66.723 tors. eta vs tors. theta energy: -101.401 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: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1021.427905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.427905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.427905 (E_RNA) where: Base-Base interactions energy: -637.507 where: short stacking energy: -312.163 Base-Backbone interact. energy: 0.083 local terms energy: -384.004422 where: bonds (distance) C4'-P energy: -84.344 bonds (distance) P-C4' energy: -76.045 flat angles C4'-P-C4' energy: -96.686 flat angles P-C4'-P energy: -46.013 tors. eta vs tors. theta energy: -80.917 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: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -932.468875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.468875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.468875 (E_RNA) where: Base-Base interactions energy: -566.002 where: short stacking energy: -280.156 Base-Backbone interact. energy: 3.234 local terms energy: -369.700267 where: bonds (distance) C4'-P energy: -83.620 bonds (distance) P-C4' energy: -77.851 flat angles C4'-P-C4' energy: -94.507 flat angles P-C4'-P energy: -55.708 tors. eta vs tors. theta energy: -58.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -739.837432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.837432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.837432 (E_RNA) where: Base-Base interactions energy: -431.987 where: short stacking energy: -206.516 Base-Backbone interact. energy: -2.197 local terms energy: -305.652758 where: bonds (distance) C4'-P energy: -82.251 bonds (distance) P-C4' energy: -74.533 flat angles C4'-P-C4' energy: -67.287 flat angles P-C4'-P energy: -53.568 tors. eta vs tors. theta energy: -28.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -519.742819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.742819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.742819 (E_RNA) where: Base-Base interactions energy: -246.282 where: short stacking energy: -183.910 Base-Backbone interact. energy: 2.288 local terms energy: -275.748691 where: bonds (distance) C4'-P energy: -67.133 bonds (distance) P-C4' energy: -85.671 flat angles C4'-P-C4' energy: -85.707 flat angles P-C4'-P energy: -33.972 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -489.784753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.784753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.784753 (E_RNA) where: Base-Base interactions energy: -235.830 where: short stacking energy: -154.164 Base-Backbone interact. energy: 1.658 local terms energy: -255.612570 where: bonds (distance) C4'-P energy: -72.060 bonds (distance) P-C4' energy: -53.428 flat angles C4'-P-C4' energy: -78.884 flat angles P-C4'-P energy: -45.582 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: 10, replica: 1 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -374.770228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.770228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.770228 (E_RNA) where: Base-Base interactions energy: -103.572 where: short stacking energy: -93.106 Base-Backbone interact. energy: 1.639 local terms energy: -272.836768 where: bonds (distance) C4'-P energy: -93.006 bonds (distance) P-C4' energy: -86.684 flat angles C4'-P-C4' energy: -71.137 flat angles P-C4'-P energy: -39.346 tors. eta vs tors. theta energy: 17.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1495.772966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.772966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.772966 (E_RNA) where: Base-Base interactions energy: -1006.219 where: short stacking energy: -474.557 Base-Backbone interact. energy: -0.928 local terms energy: -488.626260 where: bonds (distance) C4'-P energy: -89.890 bonds (distance) P-C4' energy: -91.710 flat angles C4'-P-C4' energy: -108.532 flat angles P-C4'-P energy: -62.938 tors. eta vs tors. theta energy: -135.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1373.713254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.713254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.713254 (E_RNA) where: Base-Base interactions energy: -871.730 where: short stacking energy: -435.583 Base-Backbone interact. energy: -1.758 local terms energy: -500.225604 where: bonds (distance) C4'-P energy: -91.430 bonds (distance) P-C4' energy: -98.804 flat angles C4'-P-C4' energy: -106.335 flat angles P-C4'-P energy: -75.349 tors. eta vs tors. theta energy: -128.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1248.768125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.768125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.768125 (E_RNA) where: Base-Base interactions energy: -820.879 where: short stacking energy: -386.271 Base-Backbone interact. energy: -3.100 local terms energy: -424.789389 where: bonds (distance) C4'-P energy: -77.949 bonds (distance) P-C4' energy: -96.338 flat angles C4'-P-C4' energy: -90.807 flat angles P-C4'-P energy: -59.345 tors. eta vs tors. theta energy: -100.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1198.393632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.393632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.393632 (E_RNA) where: Base-Base interactions energy: -762.684 where: short stacking energy: -344.070 Base-Backbone interact. energy: -2.579 local terms energy: -433.130803 where: bonds (distance) C4'-P energy: -92.673 bonds (distance) P-C4' energy: -96.692 flat angles C4'-P-C4' energy: -88.849 flat angles P-C4'-P energy: -45.342 tors. eta vs tors. theta energy: -109.575 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: 10 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1092.279231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.279231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.279231 (E_RNA) where: Base-Base interactions energy: -687.996 where: short stacking energy: -326.333 Base-Backbone interact. energy: -1.632 local terms energy: -402.651290 where: bonds (distance) C4'-P energy: -93.744 bonds (distance) P-C4' energy: -86.199 flat angles C4'-P-C4' energy: -75.474 flat angles P-C4'-P energy: -64.604 tors. eta vs tors. theta energy: -82.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -931.883900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.883900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.883900 (E_RNA) where: Base-Base interactions energy: -586.949 where: short stacking energy: -271.564 Base-Backbone interact. energy: 3.047 local terms energy: -347.982073 where: bonds (distance) C4'-P energy: -77.383 bonds (distance) P-C4' energy: -83.596 flat angles C4'-P-C4' energy: -75.091 flat angles P-C4'-P energy: -57.142 tors. eta vs tors. theta energy: -54.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -733.006801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.006801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.006801 (E_RNA) where: Base-Base interactions energy: -375.849 where: short stacking energy: -205.329 Base-Backbone interact. energy: -2.114 local terms energy: -355.043978 where: bonds (distance) C4'-P energy: -81.126 bonds (distance) P-C4' energy: -85.348 flat angles C4'-P-C4' energy: -87.797 flat angles P-C4'-P energy: -56.171 tors. eta vs tors. theta energy: -44.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -587.442700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.442700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.442700 (E_RNA) where: Base-Base interactions energy: -287.763 where: short stacking energy: -183.653 Base-Backbone interact. energy: 0.479 local terms energy: -300.158456 where: bonds (distance) C4'-P energy: -92.036 bonds (distance) P-C4' energy: -84.774 flat angles C4'-P-C4' energy: -56.325 flat angles P-C4'-P energy: -47.410 tors. eta vs tors. theta energy: -19.614 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: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -517.830928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.830928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.830928 (E_RNA) where: Base-Base interactions energy: -237.619 where: short stacking energy: -134.555 Base-Backbone interact. energy: 0.082 local terms energy: -280.293922 where: bonds (distance) C4'-P energy: -81.053 bonds (distance) P-C4' energy: -96.712 flat angles C4'-P-C4' energy: -71.326 flat angles P-C4'-P energy: -35.581 tors. eta vs tors. theta energy: 4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -371.081860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.081860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.081860 (E_RNA) where: Base-Base interactions energy: -107.107 where: short stacking energy: -100.877 Base-Backbone interact. energy: -2.415 local terms energy: -261.560475 where: bonds (distance) C4'-P energy: -71.363 bonds (distance) P-C4' energy: -85.522 flat angles C4'-P-C4' energy: -67.883 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: 11.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1496.266137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.266137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.266137 (E_RNA) where: Base-Base interactions energy: -985.627 where: short stacking energy: -433.790 Base-Backbone interact. energy: -3.403 local terms energy: -507.236993 where: bonds (distance) C4'-P energy: -97.914 bonds (distance) P-C4' energy: -99.569 flat angles C4'-P-C4' energy: -107.563 flat angles P-C4'-P energy: -73.690 tors. eta vs tors. theta energy: -128.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1352.842725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.842725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.842725 (E_RNA) where: Base-Base interactions energy: -885.996 where: short stacking energy: -445.344 Base-Backbone interact. energy: -1.168 local terms energy: -465.678704 where: bonds (distance) C4'-P energy: -75.083 bonds (distance) P-C4' energy: -93.694 flat angles C4'-P-C4' energy: -101.511 flat angles P-C4'-P energy: -72.837 tors. eta vs tors. theta energy: -122.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1246.636506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.636506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.636506 (E_RNA) where: Base-Base interactions energy: -811.566 where: short stacking energy: -357.776 Base-Backbone interact. energy: -2.583 local terms energy: -432.487732 where: bonds (distance) C4'-P energy: -100.530 bonds (distance) P-C4' energy: -90.305 flat angles C4'-P-C4' energy: -100.955 flat angles P-C4'-P energy: -47.016 tors. eta vs tors. theta energy: -93.682 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: 161 Temperature: 1.050000 Total energy: -1189.562162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.562162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.562162 (E_RNA) where: Base-Base interactions energy: -726.968 where: short stacking energy: -344.614 Base-Backbone interact. energy: -1.024 local terms energy: -461.570808 where: bonds (distance) C4'-P energy: -103.754 bonds (distance) P-C4' energy: -97.944 flat angles C4'-P-C4' energy: -91.928 flat angles P-C4'-P energy: -60.454 tors. eta vs tors. theta energy: -107.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1139.026007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.026007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.026007 (E_RNA) where: Base-Base interactions energy: -718.954 where: short stacking energy: -334.319 Base-Backbone interact. energy: -2.475 local terms energy: -417.596548 where: bonds (distance) C4'-P energy: -75.056 bonds (distance) P-C4' energy: -95.605 flat angles C4'-P-C4' energy: -85.827 flat angles P-C4'-P energy: -74.504 tors. eta vs tors. theta energy: -86.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -953.987206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.987206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.987206 (E_RNA) where: Base-Base interactions energy: -575.164 where: short stacking energy: -290.795 Base-Backbone interact. energy: -0.595 local terms energy: -378.227936 where: bonds (distance) C4'-P energy: -74.105 bonds (distance) P-C4' energy: -80.031 flat angles C4'-P-C4' energy: -95.269 flat angles P-C4'-P energy: -66.403 tors. eta vs tors. theta energy: -62.420 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: 3 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -727.214789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.214789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.214789 (E_RNA) where: Base-Base interactions energy: -385.028 where: short stacking energy: -216.992 Base-Backbone interact. energy: -1.489 local terms energy: -340.698484 where: bonds (distance) C4'-P energy: -90.530 bonds (distance) P-C4' energy: -74.014 flat angles C4'-P-C4' energy: -89.807 flat angles P-C4'-P energy: -47.318 tors. eta vs tors. theta energy: -39.029 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: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -515.455115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.455115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.455115 (E_RNA) where: Base-Base interactions energy: -234.617 where: short stacking energy: -119.965 Base-Backbone interact. energy: -1.021 local terms energy: -279.817143 where: bonds (distance) C4'-P energy: -93.303 bonds (distance) P-C4' energy: -83.421 flat angles C4'-P-C4' energy: -84.264 flat angles P-C4'-P energy: -37.524 tors. eta vs tors. theta energy: 18.694 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: 161 Temperature: 1.300000 Total energy: -488.569233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.569233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.569233 (E_RNA) where: Base-Base interactions energy: -241.092 where: short stacking energy: -139.337 Base-Backbone interact. energy: -0.964 local terms energy: -246.513211 where: bonds (distance) C4'-P energy: -77.430 bonds (distance) P-C4' energy: -72.539 flat angles C4'-P-C4' energy: -69.509 flat angles P-C4'-P energy: -36.113 tors. eta vs tors. theta energy: 9.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -393.907206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.907206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.907206 (E_RNA) where: Base-Base interactions energy: -140.534 where: short stacking energy: -119.011 Base-Backbone interact. energy: -2.092 local terms energy: -251.281235 where: bonds (distance) C4'-P energy: -77.276 bonds (distance) P-C4' energy: -79.457 flat angles C4'-P-C4' energy: -63.861 flat angles P-C4'-P energy: -42.541 tors. eta vs tors. theta energy: 11.854 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: 8 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1494.605645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.605645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.605645 (E_RNA) where: Base-Base interactions energy: -998.903 where: short stacking energy: -467.720 Base-Backbone interact. energy: -2.693 local terms energy: -493.009079 where: bonds (distance) C4'-P energy: -86.141 bonds (distance) P-C4' energy: -95.428 flat angles C4'-P-C4' energy: -102.039 flat angles P-C4'-P energy: -74.601 tors. eta vs tors. theta energy: -134.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1380.463681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.463681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.463681 (E_RNA) where: Base-Base interactions energy: -895.086 where: short stacking energy: -432.347 Base-Backbone interact. energy: -0.550 local terms energy: -484.828142 where: bonds (distance) C4'-P energy: -100.542 bonds (distance) P-C4' energy: -91.713 flat angles C4'-P-C4' energy: -101.910 flat angles P-C4'-P energy: -55.376 tors. eta vs tors. theta energy: -135.288 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: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1269.016244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.016244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.016244 (E_RNA) where: Base-Base interactions energy: -813.747 where: short stacking energy: -375.820 Base-Backbone interact. energy: -3.112 local terms energy: -452.157487 where: bonds (distance) C4'-P energy: -89.887 bonds (distance) P-C4' energy: -96.165 flat angles C4'-P-C4' energy: -96.792 flat angles P-C4'-P energy: -63.553 tors. eta vs tors. theta energy: -105.760 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: 162 Temperature: 1.050000 Total energy: -1179.915941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.915941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.915941 (E_RNA) where: Base-Base interactions energy: -731.995 where: short stacking energy: -335.719 Base-Backbone interact. energy: -0.021 local terms energy: -447.900077 where: bonds (distance) C4'-P energy: -86.282 bonds (distance) P-C4' energy: -83.538 flat angles C4'-P-C4' energy: -107.684 flat angles P-C4'-P energy: -67.073 tors. eta vs tors. theta energy: -103.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1128.095879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.095879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.095879 (E_RNA) where: Base-Base interactions energy: -697.348 where: short stacking energy: -332.573 Base-Backbone interact. energy: -1.017 local terms energy: -429.730799 where: bonds (distance) C4'-P energy: -95.643 bonds (distance) P-C4' energy: -98.394 flat angles C4'-P-C4' energy: -74.097 flat angles P-C4'-P energy: -69.523 tors. eta vs tors. theta energy: -92.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -961.591264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.591264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.591264 (E_RNA) where: Base-Base interactions energy: -581.639 where: short stacking energy: -284.024 Base-Backbone interact. energy: -0.771 local terms energy: -379.181228 where: bonds (distance) C4'-P energy: -76.755 bonds (distance) P-C4' energy: -83.592 flat angles C4'-P-C4' energy: -89.974 flat angles P-C4'-P energy: -56.028 tors. eta vs tors. theta energy: -72.831 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: 3 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -694.432800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.432800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.432800 (E_RNA) where: Base-Base interactions energy: -396.901 where: short stacking energy: -229.882 Base-Backbone interact. energy: -1.744 local terms energy: -295.787933 where: bonds (distance) C4'-P energy: -63.882 bonds (distance) P-C4' energy: -86.555 flat angles C4'-P-C4' energy: -75.834 flat angles P-C4'-P energy: -41.822 tors. eta vs tors. theta energy: -27.695 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: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -565.306729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.306729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.306729 (E_RNA) where: Base-Base interactions energy: -266.412 where: short stacking energy: -179.359 Base-Backbone interact. energy: -1.375 local terms energy: -297.519380 where: bonds (distance) C4'-P energy: -80.899 bonds (distance) P-C4' energy: -73.539 flat angles C4'-P-C4' energy: -74.587 flat angles P-C4'-P energy: -51.048 tors. eta vs tors. theta energy: -17.447 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: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -470.959894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.959894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.959894 (E_RNA) where: Base-Base interactions energy: -200.572 where: short stacking energy: -124.319 Base-Backbone interact. energy: -2.193 local terms energy: -268.195040 where: bonds (distance) C4'-P energy: -74.010 bonds (distance) P-C4' energy: -77.394 flat angles C4'-P-C4' energy: -67.576 flat angles P-C4'-P energy: -50.149 tors. eta vs tors. theta energy: 0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -384.461399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.461399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.461399 (E_RNA) where: Base-Base interactions energy: -171.084 where: short stacking energy: -122.962 Base-Backbone interact. energy: 1.373 local terms energy: -214.750574 where: bonds (distance) C4'-P energy: -71.263 bonds (distance) P-C4' energy: -82.450 flat angles C4'-P-C4' energy: -65.382 flat angles P-C4'-P energy: -18.608 tors. eta vs tors. theta energy: 22.952 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: 8 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1499.269618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.269618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.269618 (E_RNA) where: Base-Base interactions energy: -984.134 where: short stacking energy: -441.161 Base-Backbone interact. energy: -1.492 local terms energy: -513.644316 where: bonds (distance) C4'-P energy: -87.094 bonds (distance) P-C4' energy: -110.123 flat angles C4'-P-C4' energy: -109.721 flat angles P-C4'-P energy: -73.885 tors. eta vs tors. theta energy: -132.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1404.850930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.850930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.850930 (E_RNA) where: Base-Base interactions energy: -918.279 where: short stacking energy: -432.815 Base-Backbone interact. energy: -3.088 local terms energy: -483.484513 where: bonds (distance) C4'-P energy: -88.838 bonds (distance) P-C4' energy: -100.382 flat angles C4'-P-C4' energy: -112.079 flat angles P-C4'-P energy: -59.694 tors. eta vs tors. theta energy: -122.493 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: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1268.955353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.955353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.955353 (E_RNA) where: Base-Base interactions energy: -832.388 where: short stacking energy: -380.333 Base-Backbone interact. energy: -1.678 local terms energy: -434.889723 where: bonds (distance) C4'-P energy: -80.873 bonds (distance) P-C4' energy: -90.393 flat angles C4'-P-C4' energy: -97.116 flat angles P-C4'-P energy: -65.315 tors. eta vs tors. theta energy: -101.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1139.602787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.602787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.602787 (E_RNA) where: Base-Base interactions energy: -715.577 where: short stacking energy: -332.284 Base-Backbone interact. energy: 0.531 local terms energy: -424.556966 where: bonds (distance) C4'-P energy: -81.179 bonds (distance) P-C4' energy: -89.676 flat angles C4'-P-C4' energy: -96.196 flat angles P-C4'-P energy: -47.979 tors. eta vs tors. theta energy: -109.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1149.538500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.538500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.538500 (E_RNA) where: Base-Base interactions energy: -726.762 where: short stacking energy: -345.487 Base-Backbone interact. energy: -0.856 local terms energy: -421.920560 where: bonds (distance) C4'-P energy: -86.268 bonds (distance) P-C4' energy: -95.019 flat angles C4'-P-C4' energy: -104.389 flat angles P-C4'-P energy: -48.769 tors. eta vs tors. theta energy: -87.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -959.245132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.245132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.245132 (E_RNA) where: Base-Base interactions energy: -585.162 where: short stacking energy: -280.733 Base-Backbone interact. energy: -2.260 local terms energy: -371.823234 where: bonds (distance) C4'-P energy: -69.111 bonds (distance) P-C4' energy: -94.853 flat angles C4'-P-C4' energy: -100.838 flat angles P-C4'-P energy: -50.812 tors. eta vs tors. theta energy: -56.210 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: 7, replica: 3 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -717.475505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.475505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.475505 (E_RNA) where: Base-Base interactions energy: -386.768 where: short stacking energy: -229.959 Base-Backbone interact. energy: -0.497 local terms energy: -330.210401 where: bonds (distance) C4'-P energy: -68.745 bonds (distance) P-C4' energy: -97.792 flat angles C4'-P-C4' energy: -89.225 flat angles P-C4'-P energy: -45.724 tors. eta vs tors. theta energy: -28.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -536.021841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.021841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.021841 (E_RNA) where: Base-Base interactions energy: -231.729 where: short stacking energy: -152.951 Base-Backbone interact. energy: -1.138 local terms energy: -303.154944 where: bonds (distance) C4'-P energy: -87.729 bonds (distance) P-C4' energy: -84.207 flat angles C4'-P-C4' energy: -86.405 flat angles P-C4'-P energy: -40.383 tors. eta vs tors. theta energy: -4.432 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: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -453.879066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.879066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.879066 (E_RNA) where: Base-Base interactions energy: -225.740 where: short stacking energy: -143.449 Base-Backbone interact. energy: -0.719 local terms energy: -227.419839 where: bonds (distance) C4'-P energy: -61.087 bonds (distance) P-C4' energy: -80.565 flat angles C4'-P-C4' energy: -63.409 flat angles P-C4'-P energy: -27.428 tors. eta vs tors. theta energy: 5.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -371.782089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.782089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.782089 (E_RNA) where: Base-Base interactions energy: -137.949 where: short stacking energy: -103.080 Base-Backbone interact. energy: -0.788 local terms energy: -233.044288 where: bonds (distance) C4'-P energy: -79.885 bonds (distance) P-C4' energy: -77.272 flat angles C4'-P-C4' energy: -68.295 flat angles P-C4'-P energy: -22.442 tors. eta vs tors. theta energy: 14.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1452.166249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.166249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.166249 (E_RNA) where: Base-Base interactions energy: -955.630 where: short stacking energy: -444.451 Base-Backbone interact. energy: -2.855 local terms energy: -493.681669 where: bonds (distance) C4'-P energy: -95.101 bonds (distance) P-C4' energy: -98.048 flat angles C4'-P-C4' energy: -110.084 flat angles P-C4'-P energy: -69.371 tors. eta vs tors. theta energy: -121.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1391.405873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.405873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.405873 (E_RNA) where: Base-Base interactions energy: -928.791 where: short stacking energy: -444.106 Base-Backbone interact. energy: 0.088 local terms energy: -462.702923 where: bonds (distance) C4'-P energy: -85.013 bonds (distance) P-C4' energy: -67.234 flat angles C4'-P-C4' energy: -102.788 flat angles P-C4'-P energy: -77.566 tors. eta vs tors. theta energy: -130.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1275.789092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.789092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.789092 (E_RNA) where: Base-Base interactions energy: -809.378 where: short stacking energy: -394.900 Base-Backbone interact. energy: 0.853 local terms energy: -467.264789 where: bonds (distance) C4'-P energy: -87.260 bonds (distance) P-C4' energy: -100.556 flat angles C4'-P-C4' energy: -107.076 flat angles P-C4'-P energy: -63.450 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: 10 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1165.004043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.004043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.004043 (E_RNA) where: Base-Base interactions energy: -745.276 where: short stacking energy: -372.494 Base-Backbone interact. energy: -1.213 local terms energy: -418.514462 where: bonds (distance) C4'-P energy: -83.041 bonds (distance) P-C4' energy: -87.404 flat angles C4'-P-C4' energy: -95.297 flat angles P-C4'-P energy: -53.694 tors. eta vs tors. theta energy: -99.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1071.858000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.858000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.858000 (E_RNA) where: Base-Base interactions energy: -688.644 where: short stacking energy: -330.441 Base-Backbone interact. energy: 2.221 local terms energy: -385.434810 where: bonds (distance) C4'-P energy: -72.944 bonds (distance) P-C4' energy: -89.882 flat angles C4'-P-C4' energy: -86.730 flat angles P-C4'-P energy: -55.711 tors. eta vs tors. theta energy: -80.169 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: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -928.384567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.384567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.384567 (E_RNA) where: Base-Base interactions energy: -551.107 where: short stacking energy: -259.753 Base-Backbone interact. energy: -0.741 local terms energy: -376.536439 where: bonds (distance) C4'-P energy: -85.561 bonds (distance) P-C4' energy: -96.716 flat angles C4'-P-C4' energy: -75.725 flat angles P-C4'-P energy: -65.355 tors. eta vs tors. theta energy: -53.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -694.248562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.248562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.248562 (E_RNA) where: Base-Base interactions energy: -370.848 where: short stacking energy: -183.670 Base-Backbone interact. energy: -0.731 local terms energy: -322.668924 where: bonds (distance) C4'-P energy: -81.809 bonds (distance) P-C4' energy: -80.654 flat angles C4'-P-C4' energy: -89.891 flat angles P-C4'-P energy: -46.772 tors. eta vs tors. theta energy: -23.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -522.005965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.005965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.005965 (E_RNA) where: Base-Base interactions energy: -216.964 where: short stacking energy: -139.250 Base-Backbone interact. energy: 0.161 local terms energy: -305.202625 where: bonds (distance) C4'-P energy: -89.868 bonds (distance) P-C4' energy: -83.258 flat angles C4'-P-C4' energy: -83.530 flat angles P-C4'-P energy: -41.371 tors. eta vs tors. theta energy: -7.176 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: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -494.836312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.836312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.836312 (E_RNA) where: Base-Base interactions energy: -234.404 where: short stacking energy: -125.288 Base-Backbone interact. energy: -1.759 local terms energy: -258.673321 where: bonds (distance) C4'-P energy: -69.760 bonds (distance) P-C4' energy: -85.072 flat angles C4'-P-C4' energy: -67.880 flat angles P-C4'-P energy: -49.448 tors. eta vs tors. theta energy: 13.486 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: 1 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -377.380484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.380484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.380484 (E_RNA) where: Base-Base interactions energy: -139.532 where: short stacking energy: -113.817 Base-Backbone interact. energy: -0.079 local terms energy: -237.769180 where: bonds (distance) C4'-P energy: -75.542 bonds (distance) P-C4' energy: -73.273 flat angles C4'-P-C4' energy: -56.535 flat angles P-C4'-P energy: -32.281 tors. eta vs tors. theta energy: -0.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1475.124434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.124434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.124434 (E_RNA) where: Base-Base interactions energy: -965.375 where: short stacking energy: -448.370 Base-Backbone interact. energy: -3.785 local terms energy: -505.963565 where: bonds (distance) C4'-P energy: -82.998 bonds (distance) P-C4' energy: -102.508 flat angles C4'-P-C4' energy: -115.215 flat angles P-C4'-P energy: -67.955 tors. eta vs tors. theta energy: -137.288 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: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1435.692255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.692255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.692255 (E_RNA) where: Base-Base interactions energy: -942.129 where: short stacking energy: -458.975 Base-Backbone interact. energy: -1.177 local terms energy: -492.385813 where: bonds (distance) C4'-P energy: -87.673 bonds (distance) P-C4' energy: -90.671 flat angles C4'-P-C4' energy: -109.289 flat angles P-C4'-P energy: -72.339 tors. eta vs tors. theta energy: -132.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1291.157590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.157590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.157590 (E_RNA) where: Base-Base interactions energy: -842.918 where: short stacking energy: -385.993 Base-Backbone interact. energy: -1.737 local terms energy: -446.502161 where: bonds (distance) C4'-P energy: -83.557 bonds (distance) P-C4' energy: -88.716 flat angles C4'-P-C4' energy: -94.646 flat angles P-C4'-P energy: -61.161 tors. eta vs tors. theta energy: -118.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1165.106758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.106758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.106758 (E_RNA) where: Base-Base interactions energy: -719.790 where: short stacking energy: -339.376 Base-Backbone interact. energy: -1.257 local terms energy: -444.059975 where: bonds (distance) C4'-P energy: -83.966 bonds (distance) P-C4' energy: -92.963 flat angles C4'-P-C4' energy: -96.028 flat angles P-C4'-P energy: -70.059 tors. eta vs tors. theta energy: -101.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1061.647841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.647841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.647841 (E_RNA) where: Base-Base interactions energy: -691.540 where: short stacking energy: -321.532 Base-Backbone interact. energy: -0.780 local terms energy: -369.327199 where: bonds (distance) C4'-P energy: -87.389 bonds (distance) P-C4' energy: -82.945 flat angles C4'-P-C4' energy: -76.920 flat angles P-C4'-P energy: -49.314 tors. eta vs tors. theta energy: -72.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -922.941219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.941219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.941219 (E_RNA) where: Base-Base interactions energy: -569.934 where: short stacking energy: -266.319 Base-Backbone interact. energy: 2.352 local terms energy: -355.358431 where: bonds (distance) C4'-P energy: -81.655 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -83.341 flat angles P-C4'-P energy: -44.531 tors. eta vs tors. theta energy: -59.678 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: 3 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -684.117911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.117911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.117911 (E_RNA) where: Base-Base interactions energy: -341.579 where: short stacking energy: -182.279 Base-Backbone interact. energy: -1.561 local terms energy: -340.978033 where: bonds (distance) C4'-P energy: -91.493 bonds (distance) P-C4' energy: -105.109 flat angles C4'-P-C4' energy: -83.113 flat angles P-C4'-P energy: -41.588 tors. eta vs tors. theta energy: -19.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -538.184960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.184960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.184960 (E_RNA) where: Base-Base interactions energy: -251.679 where: short stacking energy: -154.441 Base-Backbone interact. energy: -2.000 local terms energy: -284.506223 where: bonds (distance) C4'-P energy: -78.171 bonds (distance) P-C4' energy: -81.872 flat angles C4'-P-C4' energy: -72.603 flat angles P-C4'-P energy: -40.561 tors. eta vs tors. theta energy: -11.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -484.792312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.792312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.792312 (E_RNA) where: Base-Base interactions energy: -224.881 where: short stacking energy: -139.219 Base-Backbone interact. energy: 3.580 local terms energy: -263.491892 where: bonds (distance) C4'-P energy: -84.335 bonds (distance) P-C4' energy: -66.047 flat angles C4'-P-C4' energy: -79.964 flat angles P-C4'-P energy: -36.786 tors. eta vs tors. theta energy: 3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -388.157704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.157704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.157704 (E_RNA) where: Base-Base interactions energy: -125.164 where: short stacking energy: -108.913 Base-Backbone interact. energy: -1.996 local terms energy: -260.997727 where: bonds (distance) C4'-P energy: -84.894 bonds (distance) P-C4' energy: -71.114 flat angles C4'-P-C4' energy: -76.829 flat angles P-C4'-P energy: -33.399 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: 1, replica: 8 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1472.834387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.834387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.834387 (E_RNA) where: Base-Base interactions energy: -958.557 where: short stacking energy: -452.833 Base-Backbone interact. energy: -2.994 local terms energy: -511.283653 where: bonds (distance) C4'-P energy: -94.078 bonds (distance) P-C4' energy: -99.695 flat angles C4'-P-C4' energy: -107.272 flat angles P-C4'-P energy: -71.755 tors. eta vs tors. theta energy: -138.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1384.533142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.533142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.533142 (E_RNA) where: Base-Base interactions energy: -942.143 where: short stacking energy: -446.578 Base-Backbone interact. energy: 0.683 local terms energy: -443.072886 where: bonds (distance) C4'-P energy: -93.399 bonds (distance) P-C4' energy: -80.042 flat angles C4'-P-C4' energy: -93.044 flat angles P-C4'-P energy: -56.514 tors. eta vs tors. theta energy: -120.073 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: 3, replica: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1303.939011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.939011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.939011 (E_RNA) where: Base-Base interactions energy: -839.095 where: short stacking energy: -390.026 Base-Backbone interact. energy: -0.083 local terms energy: -464.761898 where: bonds (distance) C4'-P energy: -88.096 bonds (distance) P-C4' energy: -98.195 flat angles C4'-P-C4' energy: -96.511 flat angles P-C4'-P energy: -72.597 tors. eta vs tors. theta energy: -109.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1161.171417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.171417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.171417 (E_RNA) where: Base-Base interactions energy: -709.987 where: short stacking energy: -355.573 Base-Backbone interact. energy: 4.492 local terms energy: -455.676443 where: bonds (distance) C4'-P energy: -94.764 bonds (distance) P-C4' energy: -94.719 flat angles C4'-P-C4' energy: -96.094 flat angles P-C4'-P energy: -63.191 tors. eta vs tors. theta energy: -106.908 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: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1098.302160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.302160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.302160 (E_RNA) where: Base-Base interactions energy: -692.145 where: short stacking energy: -309.851 Base-Backbone interact. energy: -2.524 local terms energy: -403.633213 where: bonds (distance) C4'-P energy: -77.590 bonds (distance) P-C4' energy: -83.666 flat angles C4'-P-C4' energy: -93.583 flat angles P-C4'-P energy: -58.667 tors. eta vs tors. theta energy: -90.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -937.228858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.228858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.228858 (E_RNA) where: Base-Base interactions energy: -555.467 where: short stacking energy: -280.220 Base-Backbone interact. energy: -1.881 local terms energy: -379.881349 where: bonds (distance) C4'-P energy: -89.739 bonds (distance) P-C4' energy: -95.793 flat angles C4'-P-C4' energy: -89.612 flat angles P-C4'-P energy: -43.271 tors. eta vs tors. theta energy: -61.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -720.743825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.743825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.743825 (E_RNA) where: Base-Base interactions energy: -380.103 where: short stacking energy: -224.639 Base-Backbone interact. energy: -0.812 local terms energy: -339.828465 where: bonds (distance) C4'-P energy: -81.445 bonds (distance) P-C4' energy: -89.388 flat angles C4'-P-C4' energy: -89.018 flat angles P-C4'-P energy: -42.109 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: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -521.584489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.584489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.584489 (E_RNA) where: Base-Base interactions energy: -232.808 where: short stacking energy: -156.340 Base-Backbone interact. energy: -1.804 local terms energy: -286.972378 where: bonds (distance) C4'-P energy: -59.038 bonds (distance) P-C4' energy: -94.336 flat angles C4'-P-C4' energy: -85.060 flat angles P-C4'-P energy: -33.818 tors. eta vs tors. theta energy: -14.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -456.388935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.388935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.388935 (E_RNA) where: Base-Base interactions energy: -193.678 where: short stacking energy: -130.381 Base-Backbone interact. energy: -1.212 local terms energy: -261.498385 where: bonds (distance) C4'-P energy: -71.644 bonds (distance) P-C4' energy: -80.780 flat angles C4'-P-C4' energy: -68.791 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -368.750785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.750785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.750785 (E_RNA) where: Base-Base interactions energy: -121.293 where: short stacking energy: -94.156 Base-Backbone interact. energy: -1.238 local terms energy: -246.219693 where: bonds (distance) C4'-P energy: -71.420 bonds (distance) P-C4' energy: -81.412 flat angles C4'-P-C4' energy: -65.592 flat angles P-C4'-P energy: -41.427 tors. eta vs tors. theta energy: 13.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1467.329539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.329539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.329539 (E_RNA) where: Base-Base interactions energy: -956.298 where: short stacking energy: -421.957 Base-Backbone interact. energy: -2.538 local terms energy: -508.492962 where: bonds (distance) C4'-P energy: -94.951 bonds (distance) P-C4' energy: -107.252 flat angles C4'-P-C4' energy: -105.078 flat angles P-C4'-P energy: -78.767 tors. eta vs tors. theta energy: -122.445 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: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1377.633387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.633387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.633387 (E_RNA) where: Base-Base interactions energy: -898.955 where: short stacking energy: -434.742 Base-Backbone interact. energy: -0.878 local terms energy: -477.800521 where: bonds (distance) C4'-P energy: -83.998 bonds (distance) P-C4' energy: -103.232 flat angles C4'-P-C4' energy: -102.970 flat angles P-C4'-P energy: -70.312 tors. eta vs tors. theta energy: -117.289 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: 2 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1308.502209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.502209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.502209 (E_RNA) where: Base-Base interactions energy: -854.294 where: short stacking energy: -386.066 Base-Backbone interact. energy: -2.470 local terms energy: -451.738940 where: bonds (distance) C4'-P energy: -86.117 bonds (distance) P-C4' energy: -89.509 flat angles C4'-P-C4' energy: -103.953 flat angles P-C4'-P energy: -61.616 tors. eta vs tors. theta energy: -110.544 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: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1194.200358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.200358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.200358 (E_RNA) where: Base-Base interactions energy: -756.693 where: short stacking energy: -359.745 Base-Backbone interact. energy: -1.289 local terms energy: -436.217997 where: bonds (distance) C4'-P energy: -89.125 bonds (distance) P-C4' energy: -91.221 flat angles C4'-P-C4' energy: -94.382 flat angles P-C4'-P energy: -55.344 tors. eta vs tors. theta energy: -106.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1179.182542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.182542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.182542 (E_RNA) where: Base-Base interactions energy: -748.173 where: short stacking energy: -348.810 Base-Backbone interact. energy: -2.166 local terms energy: -428.842672 where: bonds (distance) C4'-P energy: -86.291 bonds (distance) P-C4' energy: -88.783 flat angles C4'-P-C4' energy: -105.064 flat angles P-C4'-P energy: -47.287 tors. eta vs tors. theta energy: -101.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -920.971106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.971106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.971106 (E_RNA) where: Base-Base interactions energy: -532.109 where: short stacking energy: -257.519 Base-Backbone interact. energy: -1.571 local terms energy: -387.291189 where: bonds (distance) C4'-P energy: -90.489 bonds (distance) P-C4' energy: -89.716 flat angles C4'-P-C4' energy: -91.679 flat angles P-C4'-P energy: -64.680 tors. eta vs tors. theta energy: -50.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -672.556904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.556904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.556904 (E_RNA) where: Base-Base interactions energy: -358.703 where: short stacking energy: -210.407 Base-Backbone interact. energy: -1.306 local terms energy: -312.547993 where: bonds (distance) C4'-P energy: -75.305 bonds (distance) P-C4' energy: -84.545 flat angles C4'-P-C4' energy: -92.217 flat angles P-C4'-P energy: -45.006 tors. eta vs tors. theta energy: -15.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -499.934333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.934333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.934333 (E_RNA) where: Base-Base interactions energy: -245.279 where: short stacking energy: -160.578 Base-Backbone interact. energy: -0.999 local terms energy: -253.655887 where: bonds (distance) C4'-P energy: -81.467 bonds (distance) P-C4' energy: -79.656 flat angles C4'-P-C4' energy: -52.101 flat angles P-C4'-P energy: -36.224 tors. eta vs tors. theta energy: -4.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -488.288066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.288066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.288066 (E_RNA) where: Base-Base interactions energy: -230.668 where: short stacking energy: -143.179 Base-Backbone interact. energy: 1.849 local terms energy: -259.468850 where: bonds (distance) C4'-P energy: -72.105 bonds (distance) P-C4' energy: -83.538 flat angles C4'-P-C4' energy: -70.675 flat angles P-C4'-P energy: -37.041 tors. eta vs tors. theta energy: 3.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -385.603114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.603114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.603114 (E_RNA) where: Base-Base interactions energy: -108.196 where: short stacking energy: -94.273 Base-Backbone interact. energy: -2.967 local terms energy: -274.440582 where: bonds (distance) C4'-P energy: -81.246 bonds (distance) P-C4' energy: -86.531 flat angles C4'-P-C4' energy: -74.445 flat angles P-C4'-P energy: -42.394 tors. eta vs tors. theta energy: 10.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1469.848316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.848316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.848316 (E_RNA) where: Base-Base interactions energy: -994.471 where: short stacking energy: -455.771 Base-Backbone interact. energy: -3.703 local terms energy: -471.674698 where: bonds (distance) C4'-P energy: -91.492 bonds (distance) P-C4' energy: -92.274 flat angles C4'-P-C4' energy: -97.818 flat angles P-C4'-P energy: -73.349 tors. eta vs tors. theta energy: -116.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1368.353702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.353702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.353702 (E_RNA) where: Base-Base interactions energy: -892.169 where: short stacking energy: -427.893 Base-Backbone interact. energy: -2.231 local terms energy: -473.953298 where: bonds (distance) C4'-P energy: -89.178 bonds (distance) P-C4' energy: -98.001 flat angles C4'-P-C4' energy: -98.251 flat angles P-C4'-P energy: -72.612 tors. eta vs tors. theta energy: -115.911 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: 3, replica: 2 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1356.304561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.304561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.304561 (E_RNA) where: Base-Base interactions energy: -872.425 where: short stacking energy: -391.689 Base-Backbone interact. energy: -3.342 local terms energy: -480.537339 where: bonds (distance) C4'-P energy: -90.092 bonds (distance) P-C4' energy: -100.174 flat angles C4'-P-C4' energy: -96.871 flat angles P-C4'-P energy: -74.216 tors. eta vs tors. theta energy: -119.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1190.208848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.208848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.208848 (E_RNA) where: Base-Base interactions energy: -753.345 where: short stacking energy: -352.178 Base-Backbone interact. energy: -2.122 local terms energy: -434.742229 where: bonds (distance) C4'-P energy: -84.395 bonds (distance) P-C4' energy: -78.026 flat angles C4'-P-C4' energy: -101.733 flat angles P-C4'-P energy: -75.220 tors. eta vs tors. theta energy: -95.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1140.847186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.847186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.847186 (E_RNA) where: Base-Base interactions energy: -742.256 where: short stacking energy: -337.329 Base-Backbone interact. energy: -1.137 local terms energy: -397.454396 where: bonds (distance) C4'-P energy: -80.993 bonds (distance) P-C4' energy: -82.139 flat angles C4'-P-C4' energy: -93.413 flat angles P-C4'-P energy: -58.285 tors. eta vs tors. theta energy: -82.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -919.150495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.150495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.150495 (E_RNA) where: Base-Base interactions energy: -558.820 where: short stacking energy: -271.819 Base-Backbone interact. energy: 5.482 local terms energy: -365.812687 where: bonds (distance) C4'-P energy: -65.698 bonds (distance) P-C4' energy: -94.297 flat angles C4'-P-C4' energy: -91.740 flat angles P-C4'-P energy: -51.931 tors. eta vs tors. theta energy: -62.148 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: 3 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -701.351035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.351035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.351035 (E_RNA) where: Base-Base interactions energy: -359.801 where: short stacking energy: -171.094 Base-Backbone interact. energy: -3.244 local terms energy: -338.306082 where: bonds (distance) C4'-P energy: -94.430 bonds (distance) P-C4' energy: -86.120 flat angles C4'-P-C4' energy: -91.584 flat angles P-C4'-P energy: -48.174 tors. eta vs tors. theta energy: -17.998 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: 8, replica: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -601.206052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.206052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.206052 (E_RNA) where: Base-Base interactions energy: -282.863 where: short stacking energy: -174.116 Base-Backbone interact. energy: -1.306 local terms energy: -317.036871 where: bonds (distance) C4'-P energy: -82.196 bonds (distance) P-C4' energy: -89.260 flat angles C4'-P-C4' energy: -83.959 flat angles P-C4'-P energy: -39.670 tors. eta vs tors. theta energy: -21.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -520.467252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.467252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.467252 (E_RNA) where: Base-Base interactions energy: -247.118 where: short stacking energy: -152.981 Base-Backbone interact. energy: 0.998 local terms energy: -274.346959 where: bonds (distance) C4'-P energy: -79.305 bonds (distance) P-C4' energy: -88.749 flat angles C4'-P-C4' energy: -62.690 flat angles P-C4'-P energy: -47.064 tors. eta vs tors. theta energy: 3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -363.805191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.805191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.805191 (E_RNA) where: Base-Base interactions energy: -140.101 where: short stacking energy: -103.621 Base-Backbone interact. energy: 0.882 local terms energy: -224.586891 where: bonds (distance) C4'-P energy: -79.754 bonds (distance) P-C4' energy: -88.635 flat angles C4'-P-C4' energy: -54.500 flat angles P-C4'-P energy: -26.801 tors. eta vs tors. theta energy: 25.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1481.156036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.156036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.156036 (E_RNA) where: Base-Base interactions energy: -975.777 where: short stacking energy: -427.613 Base-Backbone interact. energy: -4.576 local terms energy: -500.802709 where: bonds (distance) C4'-P energy: -100.155 bonds (distance) P-C4' energy: -95.096 flat angles C4'-P-C4' energy: -108.402 flat angles P-C4'-P energy: -68.070 tors. eta vs tors. theta energy: -129.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1351.171163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.171163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.171163 (E_RNA) where: Base-Base interactions energy: -881.605 where: short stacking energy: -425.812 Base-Backbone interact. energy: -1.546 local terms energy: -468.019565 where: bonds (distance) C4'-P energy: -96.124 bonds (distance) P-C4' energy: -84.650 flat angles C4'-P-C4' energy: -94.183 flat angles P-C4'-P energy: -73.414 tors. eta vs tors. theta energy: -119.649 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: 3, replica: 2 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1313.080563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.080563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.080563 (E_RNA) where: Base-Base interactions energy: -847.511 where: short stacking energy: -407.557 Base-Backbone interact. energy: -1.122 local terms energy: -464.447220 where: bonds (distance) C4'-P energy: -104.319 bonds (distance) P-C4' energy: -77.732 flat angles C4'-P-C4' energy: -97.467 flat angles P-C4'-P energy: -65.708 tors. eta vs tors. theta energy: -119.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1188.319792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.319792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.319792 (E_RNA) where: Base-Base interactions energy: -755.685 where: short stacking energy: -346.610 Base-Backbone interact. energy: -1.799 local terms energy: -430.836556 where: bonds (distance) C4'-P energy: -86.621 bonds (distance) P-C4' energy: -89.459 flat angles C4'-P-C4' energy: -97.338 flat angles P-C4'-P energy: -69.078 tors. eta vs tors. theta energy: -88.341 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: 10 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1108.437480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.437480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.437480 (E_RNA) where: Base-Base interactions energy: -690.259 where: short stacking energy: -328.856 Base-Backbone interact. energy: -1.566 local terms energy: -416.612477 where: bonds (distance) C4'-P energy: -86.258 bonds (distance) P-C4' energy: -89.263 flat angles C4'-P-C4' energy: -89.367 flat angles P-C4'-P energy: -60.659 tors. eta vs tors. theta energy: -91.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -981.835822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.835822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.835822 (E_RNA) where: Base-Base interactions energy: -577.155 where: short stacking energy: -284.703 Base-Backbone interact. energy: 3.815 local terms energy: -408.495626 where: bonds (distance) C4'-P energy: -99.086 bonds (distance) P-C4' energy: -98.380 flat angles C4'-P-C4' energy: -75.122 flat angles P-C4'-P energy: -65.552 tors. eta vs tors. theta energy: -70.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -685.219947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.219947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.219947 (E_RNA) where: Base-Base interactions energy: -348.881 where: short stacking energy: -205.604 Base-Backbone interact. energy: -1.942 local terms energy: -334.397300 where: bonds (distance) C4'-P energy: -81.798 bonds (distance) P-C4' energy: -85.723 flat angles C4'-P-C4' energy: -76.616 flat angles P-C4'-P energy: -51.191 tors. eta vs tors. theta energy: -39.070 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: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -590.016465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.016465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.016465 (E_RNA) where: Base-Base interactions energy: -309.842 where: short stacking energy: -187.378 Base-Backbone interact. energy: -0.431 local terms energy: -279.743464 where: bonds (distance) C4'-P energy: -82.563 bonds (distance) P-C4' energy: -85.887 flat angles C4'-P-C4' energy: -60.730 flat angles P-C4'-P energy: -40.270 tors. eta vs tors. theta energy: -10.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -519.408293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.408293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.408293 (E_RNA) where: Base-Base interactions energy: -241.323 where: short stacking energy: -150.155 Base-Backbone interact. energy: 0.209 local terms energy: -278.294474 where: bonds (distance) C4'-P energy: -69.560 bonds (distance) P-C4' energy: -87.388 flat angles C4'-P-C4' energy: -76.251 flat angles P-C4'-P energy: -38.936 tors. eta vs tors. theta energy: -6.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -382.746689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.746689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.746689 (E_RNA) where: Base-Base interactions energy: -155.104 where: short stacking energy: -143.622 Base-Backbone interact. energy: 4.546 local terms energy: -232.188344 where: bonds (distance) C4'-P energy: -68.728 bonds (distance) P-C4' energy: -55.045 flat angles C4'-P-C4' energy: -75.971 flat angles P-C4'-P energy: -32.370 tors. eta vs tors. theta energy: -0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1468.329580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.329580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.329580 (E_RNA) where: Base-Base interactions energy: -980.233 where: short stacking energy: -440.790 Base-Backbone interact. energy: -2.767 local terms energy: -485.329828 where: bonds (distance) C4'-P energy: -93.724 bonds (distance) P-C4' energy: -91.171 flat angles C4'-P-C4' energy: -108.985 flat angles P-C4'-P energy: -73.753 tors. eta vs tors. theta energy: -117.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1362.430908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.430908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.430908 (E_RNA) where: Base-Base interactions energy: -880.801 where: short stacking energy: -422.381 Base-Backbone interact. energy: -1.692 local terms energy: -479.938153 where: bonds (distance) C4'-P energy: -90.215 bonds (distance) P-C4' energy: -88.527 flat angles C4'-P-C4' energy: -109.217 flat angles P-C4'-P energy: -65.670 tors. eta vs tors. theta energy: -126.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1322.213871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.213871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.213871 (E_RNA) where: Base-Base interactions energy: -859.219 where: short stacking energy: -428.232 Base-Backbone interact. energy: -1.154 local terms energy: -461.841427 where: bonds (distance) C4'-P energy: -75.474 bonds (distance) P-C4' energy: -100.116 flat angles C4'-P-C4' energy: -104.367 flat angles P-C4'-P energy: -65.895 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: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1184.844674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.844674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.844674 (E_RNA) where: Base-Base interactions energy: -750.202 where: short stacking energy: -332.802 Base-Backbone interact. energy: -0.430 local terms energy: -434.212794 where: bonds (distance) C4'-P energy: -91.943 bonds (distance) P-C4' energy: -94.462 flat angles C4'-P-C4' energy: -104.759 flat angles P-C4'-P energy: -63.868 tors. eta vs tors. theta energy: -79.180 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: 5, replica: 10 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1109.956694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.956694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.956694 (E_RNA) where: Base-Base interactions energy: -694.585 where: short stacking energy: -346.596 Base-Backbone interact. energy: 2.444 local terms energy: -417.815832 where: bonds (distance) C4'-P energy: -86.387 bonds (distance) P-C4' energy: -87.830 flat angles C4'-P-C4' energy: -92.376 flat angles P-C4'-P energy: -59.371 tors. eta vs tors. theta energy: -91.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -960.610033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.610033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.610033 (E_RNA) where: Base-Base interactions energy: -589.054 where: short stacking energy: -313.627 Base-Backbone interact. energy: -1.927 local terms energy: -369.629514 where: bonds (distance) C4'-P energy: -90.513 bonds (distance) P-C4' energy: -67.493 flat angles C4'-P-C4' energy: -93.277 flat angles P-C4'-P energy: -41.110 tors. eta vs tors. theta energy: -77.236 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: 3 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -701.130327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.130327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.130327 (E_RNA) where: Base-Base interactions energy: -370.735 where: short stacking energy: -207.432 Base-Backbone interact. energy: 2.310 local terms energy: -332.705225 where: bonds (distance) C4'-P energy: -85.168 bonds (distance) P-C4' energy: -86.773 flat angles C4'-P-C4' energy: -79.064 flat angles P-C4'-P energy: -54.409 tors. eta vs tors. theta energy: -27.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -571.456471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.456471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.456471 (E_RNA) where: Base-Base interactions energy: -280.953 where: short stacking energy: -135.219 Base-Backbone interact. energy: -3.159 local terms energy: -287.345082 where: bonds (distance) C4'-P energy: -84.354 bonds (distance) P-C4' energy: -91.537 flat angles C4'-P-C4' energy: -74.762 flat angles P-C4'-P energy: -43.293 tors. eta vs tors. theta energy: 6.601 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: 170 Temperature: 1.300000 Total energy: -460.286615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.286615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.286615 (E_RNA) where: Base-Base interactions energy: -197.180 where: short stacking energy: -132.015 Base-Backbone interact. energy: -2.848 local terms energy: -260.258520 where: bonds (distance) C4'-P energy: -69.401 bonds (distance) P-C4' energy: -80.471 flat angles C4'-P-C4' energy: -75.738 flat angles P-C4'-P energy: -48.937 tors. eta vs tors. theta energy: 14.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -420.934714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.934714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.934714 (E_RNA) where: Base-Base interactions energy: -198.787 where: short stacking energy: -132.813 Base-Backbone interact. energy: 2.294 local terms energy: -224.440998 where: bonds (distance) C4'-P energy: -67.252 bonds (distance) P-C4' energy: -65.330 flat angles C4'-P-C4' energy: -75.756 flat angles P-C4'-P energy: -31.875 tors. eta vs tors. theta energy: 15.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1502.660708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.660708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.660708 (E_RNA) where: Base-Base interactions energy: -1012.003 where: short stacking energy: -440.771 Base-Backbone interact. energy: 2.613 local terms energy: -493.270615 where: bonds (distance) C4'-P energy: -91.232 bonds (distance) P-C4' energy: -91.523 flat angles C4'-P-C4' energy: -106.652 flat angles P-C4'-P energy: -74.958 tors. eta vs tors. theta energy: -128.906 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: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1396.808809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.808809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.808809 (E_RNA) where: Base-Base interactions energy: -895.576 where: short stacking energy: -423.764 Base-Backbone interact. energy: -2.458 local terms energy: -498.775019 where: bonds (distance) C4'-P energy: -93.091 bonds (distance) P-C4' energy: -98.990 flat angles C4'-P-C4' energy: -108.155 flat angles P-C4'-P energy: -75.647 tors. eta vs tors. theta energy: -122.893 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: 2 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1283.663445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.663445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.663445 (E_RNA) where: Base-Base interactions energy: -830.358 where: short stacking energy: -374.996 Base-Backbone interact. energy: 0.943 local terms energy: -454.248703 where: bonds (distance) C4'-P energy: -83.181 bonds (distance) P-C4' energy: -92.945 flat angles C4'-P-C4' energy: -109.026 flat angles P-C4'-P energy: -73.005 tors. eta vs tors. theta energy: -96.092 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: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1172.766800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.766800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.766800 (E_RNA) where: Base-Base interactions energy: -746.740 where: short stacking energy: -366.285 Base-Backbone interact. energy: -0.298 local terms energy: -425.728470 where: bonds (distance) C4'-P energy: -81.197 bonds (distance) P-C4' energy: -82.177 flat angles C4'-P-C4' energy: -93.457 flat angles P-C4'-P energy: -64.621 tors. eta vs tors. theta energy: -104.276 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: 5, replica: 6 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1116.024511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.024511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.024511 (E_RNA) where: Base-Base interactions energy: -696.413 where: short stacking energy: -337.326 Base-Backbone interact. energy: -2.983 local terms energy: -416.628313 where: bonds (distance) C4'-P energy: -92.719 bonds (distance) P-C4' energy: -96.255 flat angles C4'-P-C4' energy: -87.144 flat angles P-C4'-P energy: -57.336 tors. eta vs tors. theta energy: -83.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -917.589600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.589600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.589600 (E_RNA) where: Base-Base interactions energy: -540.166 where: short stacking energy: -260.737 Base-Backbone interact. energy: 0.236 local terms energy: -377.659674 where: bonds (distance) C4'-P energy: -87.664 bonds (distance) P-C4' energy: -97.335 flat angles C4'-P-C4' energy: -84.015 flat angles P-C4'-P energy: -57.745 tors. eta vs tors. theta energy: -50.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -712.038936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.038936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.038936 (E_RNA) where: Base-Base interactions energy: -399.874 where: short stacking energy: -201.215 Base-Backbone interact. energy: -1.226 local terms energy: -310.939250 where: bonds (distance) C4'-P energy: -81.803 bonds (distance) P-C4' energy: -89.694 flat angles C4'-P-C4' energy: -88.366 flat angles P-C4'-P energy: -38.930 tors. eta vs tors. theta energy: -12.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -635.584683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.584683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.584683 (E_RNA) where: Base-Base interactions energy: -324.609 where: short stacking energy: -163.853 Base-Backbone interact. energy: -5.073 local terms energy: -305.902673 where: bonds (distance) C4'-P energy: -74.556 bonds (distance) P-C4' energy: -73.073 flat angles C4'-P-C4' energy: -80.329 flat angles P-C4'-P energy: -49.227 tors. eta vs tors. theta energy: -28.717 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: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -460.644076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.644076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.644076 (E_RNA) where: Base-Base interactions energy: -189.868 where: short stacking energy: -105.085 Base-Backbone interact. energy: 1.055 local terms energy: -271.831298 where: bonds (distance) C4'-P energy: -77.333 bonds (distance) P-C4' energy: -94.736 flat angles C4'-P-C4' energy: -67.496 flat angles P-C4'-P energy: -44.619 tors. eta vs tors. theta energy: 12.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -381.193784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.193784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.193784 (E_RNA) where: Base-Base interactions energy: -133.576 where: short stacking energy: -109.838 Base-Backbone interact. energy: -1.152 local terms energy: -246.466161 where: bonds (distance) C4'-P energy: -69.724 bonds (distance) P-C4' energy: -81.459 flat angles C4'-P-C4' energy: -62.928 flat angles P-C4'-P energy: -47.051 tors. eta vs tors. theta energy: 14.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1481.651628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.651628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.651628 (E_RNA) where: Base-Base interactions energy: -996.778 where: short stacking energy: -439.207 Base-Backbone interact. energy: -2.101 local terms energy: -482.772558 where: bonds (distance) C4'-P energy: -79.690 bonds (distance) P-C4' energy: -101.323 flat angles C4'-P-C4' energy: -109.775 flat angles P-C4'-P energy: -64.446 tors. eta vs tors. theta energy: -127.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1393.342932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.342932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.342932 (E_RNA) where: Base-Base interactions energy: -913.821 where: short stacking energy: -429.496 Base-Backbone interact. energy: -2.276 local terms energy: -477.246450 where: bonds (distance) C4'-P energy: -100.930 bonds (distance) P-C4' energy: -86.321 flat angles C4'-P-C4' energy: -99.314 flat angles P-C4'-P energy: -66.768 tors. eta vs tors. theta energy: -123.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1303.336350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.336350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.336350 (E_RNA) where: Base-Base interactions energy: -844.446 where: short stacking energy: -393.700 Base-Backbone interact. energy: -2.796 local terms energy: -456.094232 where: bonds (distance) C4'-P energy: -97.973 bonds (distance) P-C4' energy: -96.436 flat angles C4'-P-C4' energy: -101.499 flat angles P-C4'-P energy: -50.459 tors. eta vs tors. theta energy: -109.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1180.971788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.971788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.971788 (E_RNA) where: Base-Base interactions energy: -742.817 where: short stacking energy: -378.395 Base-Backbone interact. energy: -1.079 local terms energy: -437.074948 where: bonds (distance) C4'-P energy: -78.591 bonds (distance) P-C4' energy: -85.171 flat angles C4'-P-C4' energy: -103.425 flat angles P-C4'-P energy: -70.011 tors. eta vs tors. theta energy: -99.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1052.058158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.058158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.058158 (E_RNA) where: Base-Base interactions energy: -651.030 where: short stacking energy: -316.535 Base-Backbone interact. energy: -1.928 local terms energy: -399.100187 where: bonds (distance) C4'-P energy: -82.955 bonds (distance) P-C4' energy: -88.207 flat angles C4'-P-C4' energy: -94.512 flat angles P-C4'-P energy: -52.787 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: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -928.540587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.540587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.540587 (E_RNA) where: Base-Base interactions energy: -561.543 where: short stacking energy: -283.072 Base-Backbone interact. energy: -0.082 local terms energy: -366.915456 where: bonds (distance) C4'-P energy: -83.019 bonds (distance) P-C4' energy: -78.108 flat angles C4'-P-C4' energy: -80.987 flat angles P-C4'-P energy: -68.585 tors. eta vs tors. theta energy: -56.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -719.025435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.025435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.025435 (E_RNA) where: Base-Base interactions energy: -400.569 where: short stacking energy: -213.139 Base-Backbone interact. energy: 0.810 local terms energy: -319.265507 where: bonds (distance) C4'-P energy: -74.279 bonds (distance) P-C4' energy: -89.137 flat angles C4'-P-C4' energy: -70.202 flat angles P-C4'-P energy: -59.618 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: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -663.149748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.149748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.149748 (E_RNA) where: Base-Base interactions energy: -354.518 where: short stacking energy: -186.020 Base-Backbone interact. energy: -1.655 local terms energy: -306.976289 where: bonds (distance) C4'-P energy: -90.286 bonds (distance) P-C4' energy: -80.393 flat angles C4'-P-C4' energy: -75.158 flat angles P-C4'-P energy: -49.665 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: 9, replica: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -437.035809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.035809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.035809 (E_RNA) where: Base-Base interactions energy: -158.817 where: short stacking energy: -116.521 Base-Backbone interact. energy: -0.076 local terms energy: -278.142410 where: bonds (distance) C4'-P energy: -83.192 bonds (distance) P-C4' energy: -83.733 flat angles C4'-P-C4' energy: -57.434 flat angles P-C4'-P energy: -50.967 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -436.959376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.959376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.959376 (E_RNA) where: Base-Base interactions energy: -163.110 where: short stacking energy: -113.925 Base-Backbone interact. energy: 6.655 local terms energy: -280.504826 where: bonds (distance) C4'-P energy: -80.658 bonds (distance) P-C4' energy: -85.419 flat angles C4'-P-C4' energy: -87.549 flat angles P-C4'-P energy: -46.111 tors. eta vs tors. theta energy: 19.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1510.615182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.615182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.615182 (E_RNA) where: Base-Base interactions energy: -983.612 where: short stacking energy: -450.852 Base-Backbone interact. energy: -4.312 local terms energy: -522.690502 where: bonds (distance) C4'-P energy: -94.840 bonds (distance) P-C4' energy: -111.967 flat angles C4'-P-C4' energy: -114.827 flat angles P-C4'-P energy: -61.498 tors. eta vs tors. theta energy: -139.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1399.843037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.843037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.843037 (E_RNA) where: Base-Base interactions energy: -906.853 where: short stacking energy: -426.493 Base-Backbone interact. energy: -1.327 local terms energy: -491.663591 where: bonds (distance) C4'-P energy: -95.656 bonds (distance) P-C4' energy: -96.655 flat angles C4'-P-C4' energy: -99.757 flat angles P-C4'-P energy: -69.878 tors. eta vs tors. theta energy: -129.718 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: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1298.727940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.727940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.727940 (E_RNA) where: Base-Base interactions energy: -854.500 where: short stacking energy: -403.495 Base-Backbone interact. energy: -1.381 local terms energy: -442.846813 where: bonds (distance) C4'-P energy: -76.967 bonds (distance) P-C4' energy: -90.054 flat angles C4'-P-C4' energy: -105.402 flat angles P-C4'-P energy: -55.384 tors. eta vs tors. theta energy: -115.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1212.768080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.768080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.768080 (E_RNA) where: Base-Base interactions energy: -812.363 where: short stacking energy: -373.073 Base-Backbone interact. energy: 2.248 local terms energy: -402.652561 where: bonds (distance) C4'-P energy: -76.310 bonds (distance) P-C4' energy: -82.944 flat angles C4'-P-C4' energy: -89.472 flat angles P-C4'-P energy: -60.962 tors. eta vs tors. theta energy: -92.965 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: 173 Temperature: 1.100000 Total energy: -1087.070811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.070811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.070811 (E_RNA) where: Base-Base interactions energy: -668.518 where: short stacking energy: -323.001 Base-Backbone interact. energy: 0.829 local terms energy: -419.381799 where: bonds (distance) C4'-P energy: -85.353 bonds (distance) P-C4' energy: -85.522 flat angles C4'-P-C4' energy: -97.348 flat angles P-C4'-P energy: -64.487 tors. eta vs tors. theta energy: -86.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -969.078606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.078606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.078606 (E_RNA) where: Base-Base interactions energy: -606.319 where: short stacking energy: -313.102 Base-Backbone interact. energy: -1.193 local terms energy: -361.566199 where: bonds (distance) C4'-P energy: -62.024 bonds (distance) P-C4' energy: -76.616 flat angles C4'-P-C4' energy: -91.512 flat angles P-C4'-P energy: -54.058 tors. eta vs tors. theta energy: -77.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -737.567343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.567343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.567343 (E_RNA) where: Base-Base interactions energy: -400.867 where: short stacking energy: -216.020 Base-Backbone interact. energy: -0.527 local terms energy: -336.173428 where: bonds (distance) C4'-P energy: -76.470 bonds (distance) P-C4' energy: -92.345 flat angles C4'-P-C4' energy: -75.996 flat angles P-C4'-P energy: -51.569 tors. eta vs tors. theta energy: -39.794 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: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -647.390769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.390769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.390769 (E_RNA) where: Base-Base interactions energy: -348.947 where: short stacking energy: -177.628 Base-Backbone interact. energy: -2.832 local terms energy: -295.612148 where: bonds (distance) C4'-P energy: -77.075 bonds (distance) P-C4' energy: -68.574 flat angles C4'-P-C4' energy: -80.163 flat angles P-C4'-P energy: -60.161 tors. eta vs tors. theta energy: -9.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -412.047384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.047384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.047384 (E_RNA) where: Base-Base interactions energy: -145.691 where: short stacking energy: -130.290 Base-Backbone interact. energy: 0.448 local terms energy: -266.804791 where: bonds (distance) C4'-P energy: -62.930 bonds (distance) P-C4' energy: -85.055 flat angles C4'-P-C4' energy: -79.244 flat angles P-C4'-P energy: -43.894 tors. eta vs tors. theta energy: 4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -446.444421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.444421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.444421 (E_RNA) where: Base-Base interactions energy: -173.557 where: short stacking energy: -102.579 Base-Backbone interact. energy: 0.504 local terms energy: -273.390908 where: bonds (distance) C4'-P energy: -83.070 bonds (distance) P-C4' energy: -81.031 flat angles C4'-P-C4' energy: -76.858 flat angles P-C4'-P energy: -42.281 tors. eta vs tors. theta energy: 9.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1515.377176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.377176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.377176 (E_RNA) where: Base-Base interactions energy: -1010.524 where: short stacking energy: -460.879 Base-Backbone interact. energy: -0.120 local terms energy: -504.733364 where: bonds (distance) C4'-P energy: -86.854 bonds (distance) P-C4' energy: -92.074 flat angles C4'-P-C4' energy: -107.091 flat angles P-C4'-P energy: -82.864 tors. eta vs tors. theta energy: -135.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1439.725640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.725640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.725640 (E_RNA) where: Base-Base interactions energy: -951.322 where: short stacking energy: -450.165 Base-Backbone interact. energy: -4.865 local terms energy: -483.539062 where: bonds (distance) C4'-P energy: -102.610 bonds (distance) P-C4' energy: -81.024 flat angles C4'-P-C4' energy: -110.706 flat angles P-C4'-P energy: -59.476 tors. eta vs tors. theta energy: -129.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1310.120424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.120424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.120424 (E_RNA) where: Base-Base interactions energy: -846.809 where: short stacking energy: -408.163 Base-Backbone interact. energy: 0.770 local terms energy: -464.081599 where: bonds (distance) C4'-P energy: -88.423 bonds (distance) P-C4' energy: -90.374 flat angles C4'-P-C4' energy: -103.934 flat angles P-C4'-P energy: -66.263 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: 4, replica: 10 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1190.908352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.908352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.908352 (E_RNA) where: Base-Base interactions energy: -750.101 where: short stacking energy: -358.823 Base-Backbone interact. energy: -0.913 local terms energy: -439.895323 where: bonds (distance) C4'-P energy: -80.118 bonds (distance) P-C4' energy: -92.194 flat angles C4'-P-C4' energy: -97.096 flat angles P-C4'-P energy: -64.656 tors. eta vs tors. theta energy: -105.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1048.320704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.320704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.320704 (E_RNA) where: Base-Base interactions energy: -649.440 where: short stacking energy: -314.714 Base-Backbone interact. energy: -0.134 local terms energy: -398.746507 where: bonds (distance) C4'-P energy: -88.713 bonds (distance) P-C4' energy: -79.651 flat angles C4'-P-C4' energy: -82.772 flat angles P-C4'-P energy: -57.621 tors. eta vs tors. theta energy: -89.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -941.086513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.086513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.086513 (E_RNA) where: Base-Base interactions energy: -562.004 where: short stacking energy: -297.280 Base-Backbone interact. energy: -0.240 local terms energy: -378.842498 where: bonds (distance) C4'-P energy: -80.358 bonds (distance) P-C4' energy: -97.355 flat angles C4'-P-C4' energy: -83.611 flat angles P-C4'-P energy: -62.429 tors. eta vs tors. theta energy: -55.089 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: 3 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -687.824709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.824709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.824709 (E_RNA) where: Base-Base interactions energy: -340.856 where: short stacking energy: -194.741 Base-Backbone interact. energy: -0.530 local terms energy: -346.438779 where: bonds (distance) C4'-P energy: -80.302 bonds (distance) P-C4' energy: -91.727 flat angles C4'-P-C4' energy: -93.827 flat angles P-C4'-P energy: -44.321 tors. eta vs tors. theta energy: -36.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -659.755135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.755135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.755135 (E_RNA) where: Base-Base interactions energy: -364.280 where: short stacking energy: -187.420 Base-Backbone interact. energy: 0.522 local terms energy: -295.997274 where: bonds (distance) C4'-P energy: -72.648 bonds (distance) P-C4' energy: -82.252 flat angles C4'-P-C4' energy: -82.571 flat angles P-C4'-P energy: -39.685 tors. eta vs tors. theta energy: -18.841 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: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -455.425378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.425378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.425378 (E_RNA) where: Base-Base interactions energy: -183.337 where: short stacking energy: -118.411 Base-Backbone interact. energy: -1.426 local terms energy: -270.662144 where: bonds (distance) C4'-P energy: -78.482 bonds (distance) P-C4' energy: -87.867 flat angles C4'-P-C4' energy: -64.855 flat angles P-C4'-P energy: -46.103 tors. eta vs tors. theta energy: 6.645 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: 10, replica: 1 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -374.104092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.104092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.104092 (E_RNA) where: Base-Base interactions energy: -106.104 where: short stacking energy: -80.524 Base-Backbone interact. energy: 0.322 local terms energy: -268.322155 where: bonds (distance) C4'-P energy: -81.548 bonds (distance) P-C4' energy: -92.279 flat angles C4'-P-C4' energy: -63.737 flat angles P-C4'-P energy: -50.362 tors. eta vs tors. theta energy: 19.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1505.969548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.969548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.969548 (E_RNA) where: Base-Base interactions energy: -1006.465 where: short stacking energy: -441.101 Base-Backbone interact. energy: -1.849 local terms energy: -497.656087 where: bonds (distance) C4'-P energy: -96.893 bonds (distance) P-C4' energy: -93.489 flat angles C4'-P-C4' energy: -107.616 flat angles P-C4'-P energy: -73.225 tors. eta vs tors. theta energy: -126.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1433.945098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.945098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.945098 (E_RNA) where: Base-Base interactions energy: -946.394 where: short stacking energy: -469.443 Base-Backbone interact. energy: -2.645 local terms energy: -484.906113 where: bonds (distance) C4'-P energy: -85.497 bonds (distance) P-C4' energy: -104.960 flat angles C4'-P-C4' energy: -89.323 flat angles P-C4'-P energy: -62.650 tors. eta vs tors. theta energy: -142.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1254.289290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.289290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.289290 (E_RNA) where: Base-Base interactions energy: -803.695 where: short stacking energy: -368.356 Base-Backbone interact. energy: -2.082 local terms energy: -448.511542 where: bonds (distance) C4'-P energy: -89.282 bonds (distance) P-C4' energy: -95.614 flat angles C4'-P-C4' energy: -102.484 flat angles P-C4'-P energy: -60.364 tors. eta vs tors. theta energy: -100.767 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: 10 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1169.876501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.876501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.876501 (E_RNA) where: Base-Base interactions energy: -746.182 where: short stacking energy: -364.652 Base-Backbone interact. energy: 1.761 local terms energy: -425.456155 where: bonds (distance) C4'-P energy: -86.106 bonds (distance) P-C4' energy: -90.150 flat angles C4'-P-C4' energy: -96.593 flat angles P-C4'-P energy: -59.155 tors. eta vs tors. theta energy: -93.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -994.606769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.606769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.606769 (E_RNA) where: Base-Base interactions energy: -620.334 where: short stacking energy: -307.523 Base-Backbone interact. energy: 0.109 local terms energy: -374.382184 where: bonds (distance) C4'-P energy: -88.175 bonds (distance) P-C4' energy: -94.078 flat angles C4'-P-C4' energy: -74.866 flat angles P-C4'-P energy: -43.405 tors. eta vs tors. theta energy: -73.859 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: 175 Temperature: 1.150000 Total energy: -929.329181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.329181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.329181 (E_RNA) where: Base-Base interactions energy: -556.628 where: short stacking energy: -256.336 Base-Backbone interact. energy: -2.743 local terms energy: -369.958051 where: bonds (distance) C4'-P energy: -80.301 bonds (distance) P-C4' energy: -90.097 flat angles C4'-P-C4' energy: -96.324 flat angles P-C4'-P energy: -56.609 tors. eta vs tors. theta energy: -46.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -720.204650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.204650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.204650 (E_RNA) where: Base-Base interactions energy: -386.489 where: short stacking energy: -204.957 Base-Backbone interact. energy: 1.763 local terms energy: -335.478683 where: bonds (distance) C4'-P energy: -87.080 bonds (distance) P-C4' energy: -92.961 flat angles C4'-P-C4' energy: -83.021 flat angles P-C4'-P energy: -41.084 tors. eta vs tors. theta energy: -31.332 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: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -680.951533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.951533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.951533 (E_RNA) where: Base-Base interactions energy: -372.616 where: short stacking energy: -181.569 Base-Backbone interact. energy: 1.925 local terms energy: -310.260466 where: bonds (distance) C4'-P energy: -78.144 bonds (distance) P-C4' energy: -99.868 flat angles C4'-P-C4' energy: -76.920 flat angles P-C4'-P energy: -42.301 tors. eta vs tors. theta energy: -13.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -575.377503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.377503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.377503 (E_RNA) where: Base-Base interactions energy: -311.328 where: short stacking energy: -159.086 Base-Backbone interact. energy: 0.165 local terms energy: -264.214514 where: bonds (distance) C4'-P energy: -80.981 bonds (distance) P-C4' energy: -71.164 flat angles C4'-P-C4' energy: -63.961 flat angles P-C4'-P energy: -42.591 tors. eta vs tors. theta energy: -5.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -373.482812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.482812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.482812 (E_RNA) where: Base-Base interactions energy: -118.012 where: short stacking energy: -101.377 Base-Backbone interact. energy: 0.297 local terms energy: -255.767088 where: bonds (distance) C4'-P energy: -75.080 bonds (distance) P-C4' energy: -72.033 flat angles C4'-P-C4' energy: -77.192 flat angles P-C4'-P energy: -42.033 tors. eta vs tors. theta energy: 10.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1517.991036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.991036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.991036 (E_RNA) where: Base-Base interactions energy: -992.794 where: short stacking energy: -432.481 Base-Backbone interact. energy: -1.591 local terms energy: -523.605584 where: bonds (distance) C4'-P energy: -105.621 bonds (distance) P-C4' energy: -100.746 flat angles C4'-P-C4' energy: -115.606 flat angles P-C4'-P energy: -76.340 tors. eta vs tors. theta energy: -125.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1440.149760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.149760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.149760 (E_RNA) where: Base-Base interactions energy: -930.533 where: short stacking energy: -448.615 Base-Backbone interact. energy: -2.861 local terms energy: -506.755243 where: bonds (distance) C4'-P energy: -101.200 bonds (distance) P-C4' energy: -85.668 flat angles C4'-P-C4' energy: -110.202 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: -136.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1276.924250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.924250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.924250 (E_RNA) where: Base-Base interactions energy: -839.634 where: short stacking energy: -400.374 Base-Backbone interact. energy: -0.337 local terms energy: -436.953792 where: bonds (distance) C4'-P energy: -82.319 bonds (distance) P-C4' energy: -88.765 flat angles C4'-P-C4' energy: -97.213 flat angles P-C4'-P energy: -58.193 tors. eta vs tors. theta energy: -110.464 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: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1181.741123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.741123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.741123 (E_RNA) where: Base-Base interactions energy: -737.094 where: short stacking energy: -358.324 Base-Backbone interact. energy: 0.175 local terms energy: -444.821925 where: bonds (distance) C4'-P energy: -83.463 bonds (distance) P-C4' energy: -98.759 flat angles C4'-P-C4' energy: -97.567 flat angles P-C4'-P energy: -71.026 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: 5, replica: 6 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1031.007830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.007830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.007830 (E_RNA) where: Base-Base interactions energy: -674.706 where: short stacking energy: -299.488 Base-Backbone interact. energy: 2.532 local terms energy: -358.833412 where: bonds (distance) C4'-P energy: -77.503 bonds (distance) P-C4' energy: -78.873 flat angles C4'-P-C4' energy: -95.971 flat angles P-C4'-P energy: -48.634 tors. eta vs tors. theta energy: -57.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -971.850658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.850658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.850658 (E_RNA) where: Base-Base interactions energy: -584.675 where: short stacking energy: -297.348 Base-Backbone interact. energy: -0.447 local terms energy: -386.728210 where: bonds (distance) C4'-P energy: -79.644 bonds (distance) P-C4' energy: -86.881 flat angles C4'-P-C4' energy: -97.762 flat angles P-C4'-P energy: -57.856 tors. eta vs tors. theta energy: -64.585 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: 7, replica: 3 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -752.645112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.645112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.645112 (E_RNA) where: Base-Base interactions energy: -425.254 where: short stacking energy: -207.323 Base-Backbone interact. energy: -0.939 local terms energy: -326.451787 where: bonds (distance) C4'-P energy: -77.143 bonds (distance) P-C4' energy: -87.683 flat angles C4'-P-C4' energy: -75.948 flat angles P-C4'-P energy: -48.161 tors. eta vs tors. theta energy: -37.516 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: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -721.031809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.031809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.031809 (E_RNA) where: Base-Base interactions energy: -422.709 where: short stacking energy: -228.579 Base-Backbone interact. energy: 2.998 local terms energy: -301.320767 where: bonds (distance) C4'-P energy: -61.244 bonds (distance) P-C4' energy: -88.618 flat angles C4'-P-C4' energy: -85.167 flat angles P-C4'-P energy: -27.610 tors. eta vs tors. theta energy: -38.682 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: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -566.424202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.424202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.424202 (E_RNA) where: Base-Base interactions energy: -299.845 where: short stacking energy: -170.248 Base-Backbone interact. energy: 2.630 local terms energy: -269.208806 where: bonds (distance) C4'-P energy: -80.188 bonds (distance) P-C4' energy: -76.384 flat angles C4'-P-C4' energy: -57.599 flat angles P-C4'-P energy: -39.479 tors. eta vs tors. theta energy: -15.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -390.297929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.297929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.297929 (E_RNA) where: Base-Base interactions energy: -124.873 where: short stacking energy: -99.906 Base-Backbone interact. energy: -1.913 local terms energy: -263.512645 where: bonds (distance) C4'-P energy: -75.663 bonds (distance) P-C4' energy: -79.835 flat angles C4'-P-C4' energy: -79.601 flat angles P-C4'-P energy: -35.106 tors. eta vs tors. theta energy: 6.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1459.628124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.628124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.628124 (E_RNA) where: Base-Base interactions energy: -972.773 where: short stacking energy: -417.718 Base-Backbone interact. energy: -0.545 local terms energy: -486.310682 where: bonds (distance) C4'-P energy: -98.947 bonds (distance) P-C4' energy: -98.451 flat angles C4'-P-C4' energy: -107.842 flat angles P-C4'-P energy: -70.374 tors. eta vs tors. theta energy: -110.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1438.717726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.717726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.717726 (E_RNA) where: Base-Base interactions energy: -931.101 where: short stacking energy: -483.200 Base-Backbone interact. energy: -1.142 local terms energy: -506.475271 where: bonds (distance) C4'-P energy: -92.073 bonds (distance) P-C4' energy: -86.093 flat angles C4'-P-C4' energy: -108.330 flat angles P-C4'-P energy: -69.214 tors. eta vs tors. theta energy: -150.766 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: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1309.214848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.214848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.214848 (E_RNA) where: Base-Base interactions energy: -871.050 where: short stacking energy: -389.446 Base-Backbone interact. energy: -2.234 local terms energy: -435.930869 where: bonds (distance) C4'-P energy: -93.442 bonds (distance) P-C4' energy: -93.114 flat angles C4'-P-C4' energy: -99.375 flat angles P-C4'-P energy: -41.929 tors. eta vs tors. theta energy: -108.070 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: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1201.786706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.786706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.786706 (E_RNA) where: Base-Base interactions energy: -758.704 where: short stacking energy: -397.044 Base-Backbone interact. energy: -2.661 local terms energy: -440.421146 where: bonds (distance) C4'-P energy: -78.796 bonds (distance) P-C4' energy: -96.329 flat angles C4'-P-C4' energy: -101.582 flat angles P-C4'-P energy: -55.827 tors. eta vs tors. theta energy: -107.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1060.915255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.915255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.915255 (E_RNA) where: Base-Base interactions energy: -693.041 where: short stacking energy: -338.570 Base-Backbone interact. energy: 0.304 local terms energy: -368.178331 where: bonds (distance) C4'-P energy: -63.273 bonds (distance) P-C4' energy: -75.362 flat angles C4'-P-C4' energy: -87.023 flat angles P-C4'-P energy: -68.754 tors. eta vs tors. theta energy: -73.766 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: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -900.912342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.912342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.912342 (E_RNA) where: Base-Base interactions energy: -567.617 where: short stacking energy: -292.994 Base-Backbone interact. energy: 2.270 local terms energy: -335.565155 where: bonds (distance) C4'-P energy: -77.806 bonds (distance) P-C4' energy: -89.336 flat angles C4'-P-C4' energy: -79.264 flat angles P-C4'-P energy: -32.704 tors. eta vs tors. theta energy: -56.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -752.957256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.957256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.957256 (E_RNA) where: Base-Base interactions energy: -438.098 where: short stacking energy: -222.395 Base-Backbone interact. energy: -0.096 local terms energy: -314.763354 where: bonds (distance) C4'-P energy: -74.862 bonds (distance) P-C4' energy: -96.895 flat angles C4'-P-C4' energy: -59.560 flat angles P-C4'-P energy: -51.201 tors. eta vs tors. theta energy: -32.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -659.688565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.688565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.688565 (E_RNA) where: Base-Base interactions energy: -355.409 where: short stacking energy: -192.860 Base-Backbone interact. energy: -0.140 local terms energy: -304.140335 where: bonds (distance) C4'-P energy: -75.371 bonds (distance) P-C4' energy: -84.486 flat angles C4'-P-C4' energy: -67.828 flat angles P-C4'-P energy: -50.583 tors. eta vs tors. theta energy: -25.872 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: 177 Temperature: 1.300000 Total energy: -541.536485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.536485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.536485 (E_RNA) where: Base-Base interactions energy: -256.983 where: short stacking energy: -145.177 Base-Backbone interact. energy: -1.247 local terms energy: -283.306426 where: bonds (distance) C4'-P energy: -81.804 bonds (distance) P-C4' energy: -87.929 flat angles C4'-P-C4' energy: -74.459 flat angles P-C4'-P energy: -35.325 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -355.822113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.822113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.822113 (E_RNA) where: Base-Base interactions energy: -111.348 where: short stacking energy: -95.975 Base-Backbone interact. energy: 0.348 local terms energy: -244.822714 where: bonds (distance) C4'-P energy: -82.485 bonds (distance) P-C4' energy: -67.022 flat angles C4'-P-C4' energy: -62.464 flat angles P-C4'-P energy: -45.554 tors. eta vs tors. theta energy: 12.702 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: 4 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1425.423946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.423946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.423946 (E_RNA) where: Base-Base interactions energy: -929.603 where: short stacking energy: -460.470 Base-Backbone interact. energy: -1.208 local terms energy: -494.613107 where: bonds (distance) C4'-P energy: -86.264 bonds (distance) P-C4' energy: -92.904 flat angles C4'-P-C4' energy: -108.812 flat angles P-C4'-P energy: -71.816 tors. eta vs tors. theta energy: -134.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1461.924915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.924915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.924915 (E_RNA) where: Base-Base interactions energy: -986.347 where: short stacking energy: -421.918 Base-Backbone interact. energy: -0.421 local terms energy: -475.156587 where: bonds (distance) C4'-P energy: -97.029 bonds (distance) P-C4' energy: -94.240 flat angles C4'-P-C4' energy: -95.234 flat angles P-C4'-P energy: -66.589 tors. eta vs tors. theta energy: -122.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1341.758749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.758749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.758749 (E_RNA) where: Base-Base interactions energy: -894.884 where: short stacking energy: -411.573 Base-Backbone interact. energy: -0.960 local terms energy: -445.915137 where: bonds (distance) C4'-P energy: -83.536 bonds (distance) P-C4' energy: -85.612 flat angles C4'-P-C4' energy: -105.272 flat angles P-C4'-P energy: -58.097 tors. eta vs tors. theta energy: -113.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1158.517045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.517045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.517045 (E_RNA) where: Base-Base interactions energy: -698.586 where: short stacking energy: -356.195 Base-Backbone interact. energy: -2.120 local terms energy: -457.811338 where: bonds (distance) C4'-P energy: -77.510 bonds (distance) P-C4' energy: -99.531 flat angles C4'-P-C4' energy: -100.789 flat angles P-C4'-P energy: -80.582 tors. eta vs tors. theta energy: -99.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1055.743220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.743220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.743220 (E_RNA) where: Base-Base interactions energy: -662.969 where: short stacking energy: -323.152 Base-Backbone interact. energy: 0.371 local terms energy: -393.145205 where: bonds (distance) C4'-P energy: -89.732 bonds (distance) P-C4' energy: -100.733 flat angles C4'-P-C4' energy: -82.474 flat angles P-C4'-P energy: -59.225 tors. eta vs tors. theta energy: -60.980 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: 178 Temperature: 1.150000 Total energy: -916.470105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.470105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.470105 (E_RNA) where: Base-Base interactions energy: -549.224 where: short stacking energy: -270.340 Base-Backbone interact. energy: 7.089 local terms energy: -374.334578 where: bonds (distance) C4'-P energy: -71.445 bonds (distance) P-C4' energy: -105.543 flat angles C4'-P-C4' energy: -79.873 flat angles P-C4'-P energy: -52.457 tors. eta vs tors. theta energy: -65.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -822.798272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.798272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.798272 (E_RNA) where: Base-Base interactions energy: -465.802 where: short stacking energy: -215.122 Base-Backbone interact. energy: 0.016 local terms energy: -357.012464 where: bonds (distance) C4'-P energy: -77.390 bonds (distance) P-C4' energy: -95.651 flat angles C4'-P-C4' energy: -86.695 flat angles P-C4'-P energy: -49.807 tors. eta vs tors. theta energy: -47.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -669.615785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.615785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.615785 (E_RNA) where: Base-Base interactions energy: -359.478 where: short stacking energy: -197.945 Base-Backbone interact. energy: -1.408 local terms energy: -308.730295 where: bonds (distance) C4'-P energy: -62.998 bonds (distance) P-C4' energy: -74.164 flat angles C4'-P-C4' energy: -94.025 flat angles P-C4'-P energy: -60.133 tors. eta vs tors. theta energy: -17.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -494.940302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.940302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.940302 (E_RNA) where: Base-Base interactions energy: -215.002 where: short stacking energy: -113.379 Base-Backbone interact. energy: -3.719 local terms energy: -276.218728 where: bonds (distance) C4'-P energy: -93.448 bonds (distance) P-C4' energy: -76.786 flat angles C4'-P-C4' energy: -78.614 flat angles P-C4'-P energy: -37.625 tors. eta vs tors. theta energy: 10.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -452.395277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.395277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.395277 (E_RNA) where: Base-Base interactions energy: -189.437 where: short stacking energy: -124.663 Base-Backbone interact. energy: 5.731 local terms energy: -268.688968 where: bonds (distance) C4'-P energy: -75.101 bonds (distance) P-C4' energy: -79.565 flat angles C4'-P-C4' energy: -73.368 flat angles P-C4'-P energy: -52.711 tors. eta vs tors. theta energy: 12.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1459.124384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.124384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.124384 (E_RNA) where: Base-Base interactions energy: -954.522 where: short stacking energy: -455.458 Base-Backbone interact. energy: -0.907 local terms energy: -503.695288 where: bonds (distance) C4'-P energy: -89.389 bonds (distance) P-C4' energy: -107.085 flat angles C4'-P-C4' energy: -107.340 flat angles P-C4'-P energy: -64.832 tors. eta vs tors. theta energy: -135.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1507.931767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.931767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.931767 (E_RNA) where: Base-Base interactions energy: -1000.054 where: short stacking energy: -448.308 Base-Backbone interact. energy: 0.382 local terms energy: -508.259832 where: bonds (distance) C4'-P energy: -105.420 bonds (distance) P-C4' energy: -95.608 flat angles C4'-P-C4' energy: -112.587 flat angles P-C4'-P energy: -66.218 tors. eta vs tors. theta energy: -128.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1300.064865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.064865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.064865 (E_RNA) where: Base-Base interactions energy: -853.682 where: short stacking energy: -387.045 Base-Backbone interact. energy: -1.381 local terms energy: -445.002311 where: bonds (distance) C4'-P energy: -86.342 bonds (distance) P-C4' energy: -77.024 flat angles C4'-P-C4' energy: -94.934 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: -113.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1135.781097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.781097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.781097 (E_RNA) where: Base-Base interactions energy: -703.066 where: short stacking energy: -345.859 Base-Backbone interact. energy: -0.300 local terms energy: -432.415249 where: bonds (distance) C4'-P energy: -86.881 bonds (distance) P-C4' energy: -96.053 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -62.506 tors. eta vs tors. theta energy: -93.329 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: 179 Temperature: 1.100000 Total energy: -1075.603532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.603532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.603532 (E_RNA) where: Base-Base interactions energy: -680.834 where: short stacking energy: -310.990 Base-Backbone interact. energy: -3.786 local terms energy: -390.983055 where: bonds (distance) C4'-P energy: -91.299 bonds (distance) P-C4' energy: -69.519 flat angles C4'-P-C4' energy: -90.452 flat angles P-C4'-P energy: -70.541 tors. eta vs tors. theta energy: -69.173 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: 6, replica: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -862.599599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.599599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.599599 (E_RNA) where: Base-Base interactions energy: -523.649 where: short stacking energy: -281.926 Base-Backbone interact. energy: 2.394 local terms energy: -341.344379 where: bonds (distance) C4'-P energy: -73.605 bonds (distance) P-C4' energy: -81.455 flat angles C4'-P-C4' energy: -70.660 flat angles P-C4'-P energy: -51.618 tors. eta vs tors. theta energy: -64.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -795.328091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.328091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.328091 (E_RNA) where: Base-Base interactions energy: -484.088 where: short stacking energy: -241.550 Base-Backbone interact. energy: -1.573 local terms energy: -309.667219 where: bonds (distance) C4'-P energy: -69.478 bonds (distance) P-C4' energy: -77.831 flat angles C4'-P-C4' energy: -70.544 flat angles P-C4'-P energy: -41.541 tors. eta vs tors. theta energy: -50.273 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: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -665.704748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.704748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.704748 (E_RNA) where: Base-Base interactions energy: -361.430 where: short stacking energy: -196.995 Base-Backbone interact. energy: 0.175 local terms energy: -304.450251 where: bonds (distance) C4'-P energy: -71.592 bonds (distance) P-C4' energy: -80.296 flat angles C4'-P-C4' energy: -82.757 flat angles P-C4'-P energy: -51.362 tors. eta vs tors. theta energy: -18.444 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: 179 Temperature: 1.300000 Total energy: -452.859582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.859582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.859582 (E_RNA) where: Base-Base interactions energy: -164.036 where: short stacking energy: -106.498 Base-Backbone interact. energy: 2.020 local terms energy: -290.843133 where: bonds (distance) C4'-P energy: -85.953 bonds (distance) P-C4' energy: -88.730 flat angles C4'-P-C4' energy: -77.936 flat angles P-C4'-P energy: -44.350 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: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -415.315324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.315324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.315324 (E_RNA) where: Base-Base interactions energy: -177.910 where: short stacking energy: -130.688 Base-Backbone interact. energy: 2.201 local terms energy: -239.605882 where: bonds (distance) C4'-P energy: -66.814 bonds (distance) P-C4' energy: -75.123 flat angles C4'-P-C4' energy: -67.807 flat angles P-C4'-P energy: -37.300 tors. eta vs tors. theta energy: 7.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1485.663664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.663664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.663664 (E_RNA) where: Base-Base interactions energy: -975.080 where: short stacking energy: -436.032 Base-Backbone interact. energy: -2.457 local terms energy: -508.126783 where: bonds (distance) C4'-P energy: -92.828 bonds (distance) P-C4' energy: -88.726 flat angles C4'-P-C4' energy: -111.852 flat angles P-C4'-P energy: -70.853 tors. eta vs tors. theta energy: -143.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1447.050589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.050589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.050589 (E_RNA) where: Base-Base interactions energy: -944.066 where: short stacking energy: -463.608 Base-Backbone interact. energy: 0.175 local terms energy: -503.158919 where: bonds (distance) C4'-P energy: -92.092 bonds (distance) P-C4' energy: -90.828 flat angles C4'-P-C4' energy: -109.999 flat angles P-C4'-P energy: -62.472 tors. eta vs tors. theta energy: -147.768 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: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1322.623012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.623012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.623012 (E_RNA) where: Base-Base interactions energy: -850.543 where: short stacking energy: -393.220 Base-Backbone interact. energy: -0.978 local terms energy: -471.101496 where: bonds (distance) C4'-P energy: -85.453 bonds (distance) P-C4' energy: -93.130 flat angles C4'-P-C4' energy: -95.272 flat angles P-C4'-P energy: -66.307 tors. eta vs tors. theta energy: -130.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1158.648367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.648367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.648367 (E_RNA) where: Base-Base interactions energy: -727.750 where: short stacking energy: -345.360 Base-Backbone interact. energy: -2.464 local terms energy: -428.433614 where: bonds (distance) C4'-P energy: -98.538 bonds (distance) P-C4' energy: -80.526 flat angles C4'-P-C4' energy: -93.429 flat angles P-C4'-P energy: -60.497 tors. eta vs tors. theta energy: -95.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1148.251316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.251316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.251316 (E_RNA) where: Base-Base interactions energy: -747.063 where: short stacking energy: -325.299 Base-Backbone interact. energy: -1.088 local terms energy: -400.100480 where: bonds (distance) C4'-P energy: -81.428 bonds (distance) P-C4' energy: -69.773 flat angles C4'-P-C4' energy: -98.252 flat angles P-C4'-P energy: -67.145 tors. eta vs tors. theta energy: -83.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -909.272176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.272176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.272176 (E_RNA) where: Base-Base interactions energy: -534.484 where: short stacking energy: -282.412 Base-Backbone interact. energy: -2.209 local terms energy: -372.578955 where: bonds (distance) C4'-P energy: -85.438 bonds (distance) P-C4' energy: -83.643 flat angles C4'-P-C4' energy: -85.612 flat angles P-C4'-P energy: -56.702 tors. eta vs tors. theta energy: -61.184 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: 7, replica: 3 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -808.587391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.587391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.587391 (E_RNA) where: Base-Base interactions energy: -472.299 where: short stacking energy: -283.613 Base-Backbone interact. energy: 0.139 local terms energy: -336.427179 where: bonds (distance) C4'-P energy: -70.373 bonds (distance) P-C4' energy: -84.055 flat angles C4'-P-C4' energy: -82.629 flat angles P-C4'-P energy: -43.021 tors. eta vs tors. theta energy: -56.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -723.731179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.731179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.731179 (E_RNA) where: Base-Base interactions energy: -406.183 where: short stacking energy: -224.611 Base-Backbone interact. energy: 2.953 local terms energy: -320.501860 where: bonds (distance) C4'-P energy: -59.319 bonds (distance) P-C4' energy: -82.022 flat angles C4'-P-C4' energy: -85.529 flat angles P-C4'-P energy: -59.208 tors. eta vs tors. theta energy: -34.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -431.713744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.713744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.713744 (E_RNA) where: Base-Base interactions energy: -193.465 where: short stacking energy: -146.228 Base-Backbone interact. energy: -0.134 local terms energy: -238.115264 where: bonds (distance) C4'-P energy: -72.256 bonds (distance) P-C4' energy: -80.155 flat angles C4'-P-C4' energy: -65.432 flat angles P-C4'-P energy: -37.307 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: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -413.076969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.076969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.076969 (E_RNA) where: Base-Base interactions energy: -180.388 where: short stacking energy: -135.160 Base-Backbone interact. energy: 5.682 local terms energy: -238.371057 where: bonds (distance) C4'-P energy: -77.073 bonds (distance) P-C4' energy: -84.366 flat angles C4'-P-C4' energy: -46.959 flat angles P-C4'-P energy: -44.174 tors. eta vs tors. theta energy: 14.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1454.232361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.232361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.232361 (E_RNA) where: Base-Base interactions energy: -973.275 where: short stacking energy: -429.895 Base-Backbone interact. energy: 0.641 local terms energy: -481.598988 where: bonds (distance) C4'-P energy: -96.880 bonds (distance) P-C4' energy: -99.865 flat angles C4'-P-C4' energy: -98.817 flat angles P-C4'-P energy: -61.201 tors. eta vs tors. theta energy: -124.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1419.764310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.764310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.764310 (E_RNA) where: Base-Base interactions energy: -910.761 where: short stacking energy: -452.497 Base-Backbone interact. energy: -1.700 local terms energy: -507.303515 where: bonds (distance) C4'-P energy: -101.007 bonds (distance) P-C4' energy: -98.652 flat angles C4'-P-C4' energy: -108.005 flat angles P-C4'-P energy: -61.789 tors. eta vs tors. theta energy: -137.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1323.631288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.631288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.631288 (E_RNA) where: Base-Base interactions energy: -867.062 where: short stacking energy: -411.937 Base-Backbone interact. energy: -1.516 local terms energy: -455.054042 where: bonds (distance) C4'-P energy: -85.396 bonds (distance) P-C4' energy: -85.619 flat angles C4'-P-C4' energy: -105.445 flat angles P-C4'-P energy: -63.781 tors. eta vs tors. theta energy: -114.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1206.494563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.494563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.494563 (E_RNA) where: Base-Base interactions energy: -789.533 where: short stacking energy: -377.981 Base-Backbone interact. energy: -1.547 local terms energy: -415.414885 where: bonds (distance) C4'-P energy: -79.122 bonds (distance) P-C4' energy: -85.465 flat angles C4'-P-C4' energy: -95.256 flat angles P-C4'-P energy: -63.407 tors. eta vs tors. theta energy: -92.164 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: 10 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1106.085037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.085037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.085037 (E_RNA) where: Base-Base interactions energy: -700.067 where: short stacking energy: -335.126 Base-Backbone interact. energy: -1.224 local terms energy: -404.793540 where: bonds (distance) C4'-P energy: -79.724 bonds (distance) P-C4' energy: -84.920 flat angles C4'-P-C4' energy: -92.221 flat angles P-C4'-P energy: -58.148 tors. eta vs tors. theta energy: -89.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -847.235559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.235559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.235559 (E_RNA) where: Base-Base interactions energy: -496.199 where: short stacking energy: -263.216 Base-Backbone interact. energy: -0.385 local terms energy: -350.651163 where: bonds (distance) C4'-P energy: -71.993 bonds (distance) P-C4' energy: -82.579 flat angles C4'-P-C4' energy: -81.319 flat angles P-C4'-P energy: -68.382 tors. eta vs tors. theta energy: -46.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -805.322783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.322783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.322783 (E_RNA) where: Base-Base interactions energy: -472.146 where: short stacking energy: -245.707 Base-Backbone interact. energy: 0.873 local terms energy: -334.049828 where: bonds (distance) C4'-P energy: -80.223 bonds (distance) P-C4' energy: -80.786 flat angles C4'-P-C4' energy: -85.499 flat angles P-C4'-P energy: -45.128 tors. eta vs tors. theta energy: -42.412 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: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -699.960327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.960327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.960327 (E_RNA) where: Base-Base interactions energy: -379.404 where: short stacking energy: -208.737 Base-Backbone interact. energy: -1.566 local terms energy: -318.991149 where: bonds (distance) C4'-P energy: -76.124 bonds (distance) P-C4' energy: -87.865 flat angles C4'-P-C4' energy: -87.794 flat angles P-C4'-P energy: -32.829 tors. eta vs tors. theta energy: -34.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -454.342946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.342946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.342946 (E_RNA) where: Base-Base interactions energy: -204.125 where: short stacking energy: -175.348 Base-Backbone interact. energy: -2.505 local terms energy: -247.712929 where: bonds (distance) C4'-P energy: -72.283 bonds (distance) P-C4' energy: -64.397 flat angles C4'-P-C4' energy: -74.541 flat angles P-C4'-P energy: -36.057 tors. eta vs tors. theta energy: -0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -365.943721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.943721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.943721 (E_RNA) where: Base-Base interactions energy: -125.379 where: short stacking energy: -94.325 Base-Backbone interact. energy: 0.464 local terms energy: -241.028123 where: bonds (distance) C4'-P energy: -68.824 bonds (distance) P-C4' energy: -83.590 flat angles C4'-P-C4' energy: -60.433 flat angles P-C4'-P energy: -49.723 tors. eta vs tors. theta energy: 21.542 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: 8 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1496.113188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.113188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.113188 (E_RNA) where: Base-Base interactions energy: -994.954 where: short stacking energy: -433.836 Base-Backbone interact. energy: -1.711 local terms energy: -499.448234 where: bonds (distance) C4'-P energy: -94.228 bonds (distance) P-C4' energy: -100.993 flat angles C4'-P-C4' energy: -104.457 flat angles P-C4'-P energy: -65.741 tors. eta vs tors. theta energy: -134.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1388.389130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.389130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.389130 (E_RNA) where: Base-Base interactions energy: -883.636 where: short stacking energy: -425.011 Base-Backbone interact. energy: -2.113 local terms energy: -502.640059 where: bonds (distance) C4'-P energy: -94.783 bonds (distance) P-C4' energy: -85.385 flat angles C4'-P-C4' energy: -115.073 flat angles P-C4'-P energy: -82.092 tors. eta vs tors. theta energy: -125.306 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: 182 Temperature: 1.000000 Total energy: -1318.909932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.909932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.909932 (E_RNA) where: Base-Base interactions energy: -843.511 where: short stacking energy: -389.037 Base-Backbone interact. energy: -0.028 local terms energy: -475.370751 where: bonds (distance) C4'-P energy: -90.855 bonds (distance) P-C4' energy: -90.057 flat angles C4'-P-C4' energy: -103.705 flat angles P-C4'-P energy: -66.279 tors. eta vs tors. theta energy: -124.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1250.636053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.636053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.636053 (E_RNA) where: Base-Base interactions energy: -843.397 where: short stacking energy: -381.753 Base-Backbone interact. energy: -0.982 local terms energy: -406.256822 where: bonds (distance) C4'-P energy: -66.946 bonds (distance) P-C4' energy: -89.439 flat angles C4'-P-C4' energy: -87.670 flat angles P-C4'-P energy: -63.552 tors. eta vs tors. theta energy: -98.650 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: 10 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1114.403469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.403469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.403469 (E_RNA) where: Base-Base interactions energy: -711.311 where: short stacking energy: -334.045 Base-Backbone interact. energy: -3.358 local terms energy: -399.733883 where: bonds (distance) C4'-P energy: -89.718 bonds (distance) P-C4' energy: -77.707 flat angles C4'-P-C4' energy: -88.166 flat angles P-C4'-P energy: -52.252 tors. eta vs tors. theta energy: -91.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -865.574769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.574769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.574769 (E_RNA) where: Base-Base interactions energy: -513.609 where: short stacking energy: -272.071 Base-Backbone interact. energy: -1.378 local terms energy: -350.587409 where: bonds (distance) C4'-P energy: -78.747 bonds (distance) P-C4' energy: -80.729 flat angles C4'-P-C4' energy: -78.650 flat angles P-C4'-P energy: -59.882 tors. eta vs tors. theta energy: -52.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -770.361435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.361435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.361435 (E_RNA) where: Base-Base interactions energy: -444.679 where: short stacking energy: -247.723 Base-Backbone interact. energy: 1.009 local terms energy: -326.691177 where: bonds (distance) C4'-P energy: -78.641 bonds (distance) P-C4' energy: -80.914 flat angles C4'-P-C4' energy: -86.387 flat angles P-C4'-P energy: -39.663 tors. eta vs tors. theta energy: -41.086 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: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -673.313078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.313078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.313078 (E_RNA) where: Base-Base interactions energy: -377.544 where: short stacking energy: -215.959 Base-Backbone interact. energy: -0.629 local terms energy: -295.139537 where: bonds (distance) C4'-P energy: -68.895 bonds (distance) P-C4' energy: -91.197 flat angles C4'-P-C4' energy: -74.254 flat angles P-C4'-P energy: -25.907 tors. eta vs tors. theta energy: -34.888 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: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -392.325781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.325781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.325781 (E_RNA) where: Base-Base interactions energy: -145.749 where: short stacking energy: -133.381 Base-Backbone interact. energy: -1.773 local terms energy: -244.803943 where: bonds (distance) C4'-P energy: -76.233 bonds (distance) P-C4' energy: -76.372 flat angles C4'-P-C4' energy: -59.563 flat angles P-C4'-P energy: -40.983 tors. eta vs tors. theta energy: 8.346 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: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -361.885539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.885539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.885539 (E_RNA) where: Base-Base interactions energy: -126.073 where: short stacking energy: -106.845 Base-Backbone interact. energy: -1.840 local terms energy: -233.972160 where: bonds (distance) C4'-P energy: -68.583 bonds (distance) P-C4' energy: -89.664 flat angles C4'-P-C4' energy: -58.910 flat angles P-C4'-P energy: -41.087 tors. eta vs tors. theta energy: 24.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1493.304773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.304773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.304773 (E_RNA) where: Base-Base interactions energy: -998.014 where: short stacking energy: -436.104 Base-Backbone interact. energy: -1.267 local terms energy: -494.023606 where: bonds (distance) C4'-P energy: -92.933 bonds (distance) P-C4' energy: -92.682 flat angles C4'-P-C4' energy: -108.631 flat angles P-C4'-P energy: -67.958 tors. eta vs tors. theta energy: -131.820 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: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1396.380177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.380177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.380177 (E_RNA) where: Base-Base interactions energy: -928.899 where: short stacking energy: -446.162 Base-Backbone interact. energy: -3.307 local terms energy: -464.174161 where: bonds (distance) C4'-P energy: -74.283 bonds (distance) P-C4' energy: -97.550 flat angles C4'-P-C4' energy: -98.319 flat angles P-C4'-P energy: -71.004 tors. eta vs tors. theta energy: -123.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1305.749536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.749536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.749536 (E_RNA) where: Base-Base interactions energy: -857.042 where: short stacking energy: -415.115 Base-Backbone interact. energy: 7.369 local terms energy: -456.076969 where: bonds (distance) C4'-P energy: -80.643 bonds (distance) P-C4' energy: -92.913 flat angles C4'-P-C4' energy: -107.494 flat angles P-C4'-P energy: -61.992 tors. eta vs tors. theta energy: -113.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1212.554836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.554836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.554836 (E_RNA) where: Base-Base interactions energy: -806.409 where: short stacking energy: -379.631 Base-Backbone interact. energy: -2.572 local terms energy: -403.573097 where: bonds (distance) C4'-P energy: -92.503 bonds (distance) P-C4' energy: -82.847 flat angles C4'-P-C4' energy: -83.782 flat angles P-C4'-P energy: -53.881 tors. eta vs tors. theta energy: -90.559 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: 10 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1099.906148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.906148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.906148 (E_RNA) where: Base-Base interactions energy: -684.178 where: short stacking energy: -320.410 Base-Backbone interact. energy: -0.207 local terms energy: -415.521238 where: bonds (distance) C4'-P energy: -85.106 bonds (distance) P-C4' energy: -81.583 flat angles C4'-P-C4' energy: -111.075 flat angles P-C4'-P energy: -48.529 tors. eta vs tors. theta energy: -89.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -867.722065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.722065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.722065 (E_RNA) where: Base-Base interactions energy: -480.790 where: short stacking energy: -243.423 Base-Backbone interact. energy: 3.358 local terms energy: -390.290096 where: bonds (distance) C4'-P energy: -91.391 bonds (distance) P-C4' energy: -82.426 flat angles C4'-P-C4' energy: -96.570 flat angles P-C4'-P energy: -60.769 tors. eta vs tors. theta energy: -59.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -869.327994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.327994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.327994 (E_RNA) where: Base-Base interactions energy: -511.328 where: short stacking energy: -260.949 Base-Backbone interact. energy: -0.376 local terms energy: -357.624291 where: bonds (distance) C4'-P energy: -91.694 bonds (distance) P-C4' energy: -68.045 flat angles C4'-P-C4' energy: -83.531 flat angles P-C4'-P energy: -50.079 tors. eta vs tors. theta energy: -64.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -712.641476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.641476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.641476 (E_RNA) where: Base-Base interactions energy: -398.737 where: short stacking energy: -224.460 Base-Backbone interact. energy: -0.268 local terms energy: -313.636986 where: bonds (distance) C4'-P energy: -61.348 bonds (distance) P-C4' energy: -88.438 flat angles C4'-P-C4' energy: -72.992 flat angles P-C4'-P energy: -53.789 tors. eta vs tors. theta energy: -37.070 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: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -414.502576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.502576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.502576 (E_RNA) where: Base-Base interactions energy: -162.085 where: short stacking energy: -129.900 Base-Backbone interact. energy: 4.290 local terms energy: -256.706878 where: bonds (distance) C4'-P energy: -63.214 bonds (distance) P-C4' energy: -82.006 flat angles C4'-P-C4' energy: -70.251 flat angles P-C4'-P energy: -51.677 tors. eta vs tors. theta energy: 10.441 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: 10, replica: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -392.438950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.438950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.438950 (E_RNA) where: Base-Base interactions energy: -162.411 where: short stacking energy: -108.907 Base-Backbone interact. energy: 3.060 local terms energy: -233.087512 where: bonds (distance) C4'-P energy: -80.194 bonds (distance) P-C4' energy: -83.475 flat angles C4'-P-C4' energy: -64.669 flat angles P-C4'-P energy: -15.466 tors. eta vs tors. theta energy: 10.717 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: 1, replica: 8 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1482.308168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.308168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.308168 (E_RNA) where: Base-Base interactions energy: -983.487 where: short stacking energy: -437.887 Base-Backbone interact. energy: -0.240 local terms energy: -498.581162 where: bonds (distance) C4'-P energy: -96.789 bonds (distance) P-C4' energy: -100.998 flat angles C4'-P-C4' energy: -109.957 flat angles P-C4'-P energy: -66.709 tors. eta vs tors. theta energy: -124.127 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: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1387.057948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.057948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.057948 (E_RNA) where: Base-Base interactions energy: -890.801 where: short stacking energy: -424.610 Base-Backbone interact. energy: -3.076 local terms energy: -493.181070 where: bonds (distance) C4'-P energy: -96.185 bonds (distance) P-C4' energy: -98.180 flat angles C4'-P-C4' energy: -111.772 flat angles P-C4'-P energy: -64.747 tors. eta vs tors. theta energy: -122.298 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: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1316.937428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.937428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.937428 (E_RNA) where: Base-Base interactions energy: -860.249 where: short stacking energy: -394.909 Base-Backbone interact. energy: 2.052 local terms energy: -458.739961 where: bonds (distance) C4'-P energy: -89.638 bonds (distance) P-C4' energy: -91.090 flat angles C4'-P-C4' energy: -104.333 flat angles P-C4'-P energy: -67.886 tors. eta vs tors. theta energy: -105.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1270.819559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.819559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.819559 (E_RNA) where: Base-Base interactions energy: -822.281 where: short stacking energy: -379.695 Base-Backbone interact. energy: -1.737 local terms energy: -446.800761 where: bonds (distance) C4'-P energy: -87.229 bonds (distance) P-C4' energy: -94.971 flat angles C4'-P-C4' energy: -98.316 flat angles P-C4'-P energy: -59.318 tors. eta vs tors. theta energy: -106.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1068.065322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.065322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.065322 (E_RNA) where: Base-Base interactions energy: -649.053 where: short stacking energy: -331.072 Base-Backbone interact. energy: 3.630 local terms energy: -422.642295 where: bonds (distance) C4'-P energy: -92.935 bonds (distance) P-C4' energy: -86.808 flat angles C4'-P-C4' energy: -90.985 flat angles P-C4'-P energy: -61.482 tors. eta vs tors. theta energy: -90.433 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: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -871.966910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.966910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.966910 (E_RNA) where: Base-Base interactions energy: -508.076 where: short stacking energy: -275.534 Base-Backbone interact. energy: -1.649 local terms energy: -362.241780 where: bonds (distance) C4'-P energy: -69.269 bonds (distance) P-C4' energy: -83.734 flat angles C4'-P-C4' energy: -79.758 flat angles P-C4'-P energy: -64.666 tors. eta vs tors. theta energy: -64.815 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: 7, replica: 3 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -802.221662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.221662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.221662 (E_RNA) where: Base-Base interactions energy: -453.997 where: short stacking energy: -245.943 Base-Backbone interact. energy: -2.464 local terms energy: -345.760110 where: bonds (distance) C4'-P energy: -87.168 bonds (distance) P-C4' energy: -83.486 flat angles C4'-P-C4' energy: -74.906 flat angles P-C4'-P energy: -53.518 tors. eta vs tors. theta energy: -46.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -706.440026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.440026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.440026 (E_RNA) where: Base-Base interactions energy: -391.304 where: short stacking energy: -198.845 Base-Backbone interact. energy: 1.777 local terms energy: -316.912313 where: bonds (distance) C4'-P energy: -86.831 bonds (distance) P-C4' energy: -89.383 flat angles C4'-P-C4' energy: -67.572 flat angles P-C4'-P energy: -56.465 tors. eta vs tors. theta energy: -16.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -407.624354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.624354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.624354 (E_RNA) where: Base-Base interactions energy: -136.342 where: short stacking energy: -120.633 Base-Backbone interact. energy: -1.300 local terms energy: -269.982764 where: bonds (distance) C4'-P energy: -87.947 bonds (distance) P-C4' energy: -85.417 flat angles C4'-P-C4' energy: -55.047 flat angles P-C4'-P energy: -59.802 tors. eta vs tors. theta energy: 18.230 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: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -406.196114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.196114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.196114 (E_RNA) where: Base-Base interactions energy: -141.003 where: short stacking energy: -127.535 Base-Backbone interact. energy: 0.442 local terms energy: -265.634313 where: bonds (distance) C4'-P energy: -83.251 bonds (distance) P-C4' energy: -83.437 flat angles C4'-P-C4' energy: -67.381 flat angles P-C4'-P energy: -39.853 tors. eta vs tors. theta energy: 8.288 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: 8 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1504.047219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.047219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.047219 (E_RNA) where: Base-Base interactions energy: -1012.927 where: short stacking energy: -447.091 Base-Backbone interact. energy: -3.331 local terms energy: -487.788879 where: bonds (distance) C4'-P energy: -96.322 bonds (distance) P-C4' energy: -95.091 flat angles C4'-P-C4' energy: -99.757 flat angles P-C4'-P energy: -62.134 tors. eta vs tors. theta energy: -134.485 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: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1381.813419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.813419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.813419 (E_RNA) where: Base-Base interactions energy: -886.816 where: short stacking energy: -429.323 Base-Backbone interact. energy: 1.696 local terms energy: -496.694074 where: bonds (distance) C4'-P energy: -94.423 bonds (distance) P-C4' energy: -100.016 flat angles C4'-P-C4' energy: -102.203 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -135.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1279.738760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.738760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.738760 (E_RNA) where: Base-Base interactions energy: -845.233 where: short stacking energy: -399.587 Base-Backbone interact. energy: 0.640 local terms energy: -435.145652 where: bonds (distance) C4'-P energy: -83.229 bonds (distance) P-C4' energy: -98.337 flat angles C4'-P-C4' energy: -85.727 flat angles P-C4'-P energy: -48.298 tors. eta vs tors. theta energy: -119.554 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: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1218.906274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.906274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.906274 (E_RNA) where: Base-Base interactions energy: -814.360 where: short stacking energy: -361.669 Base-Backbone interact. energy: -1.566 local terms energy: -402.980160 where: bonds (distance) C4'-P energy: -84.986 bonds (distance) P-C4' energy: -90.312 flat angles C4'-P-C4' energy: -97.038 flat angles P-C4'-P energy: -50.177 tors. eta vs tors. theta energy: -80.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1059.662774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.662774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.662774 (E_RNA) where: Base-Base interactions energy: -663.139 where: short stacking energy: -317.535 Base-Backbone interact. energy: -0.938 local terms energy: -395.585303 where: bonds (distance) C4'-P energy: -87.457 bonds (distance) P-C4' energy: -92.382 flat angles C4'-P-C4' energy: -88.428 flat angles P-C4'-P energy: -43.794 tors. eta vs tors. theta energy: -83.525 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: 5 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -879.510210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.510210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.510210 (E_RNA) where: Base-Base interactions energy: -524.693 where: short stacking energy: -261.769 Base-Backbone interact. energy: -0.584 local terms energy: -354.233456 where: bonds (distance) C4'-P energy: -82.187 bonds (distance) P-C4' energy: -87.351 flat angles C4'-P-C4' energy: -78.316 flat angles P-C4'-P energy: -64.498 tors. eta vs tors. theta energy: -41.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -823.952220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.952220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.952220 (E_RNA) where: Base-Base interactions energy: -474.162 where: short stacking energy: -248.465 Base-Backbone interact. energy: -1.666 local terms energy: -348.123976 where: bonds (distance) C4'-P energy: -95.721 bonds (distance) P-C4' energy: -75.100 flat angles C4'-P-C4' energy: -87.734 flat angles P-C4'-P energy: -36.940 tors. eta vs tors. theta energy: -52.629 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: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -669.443662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.443662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.443662 (E_RNA) where: Base-Base interactions energy: -343.070 where: short stacking energy: -179.129 Base-Backbone interact. energy: -1.955 local terms energy: -324.418185 where: bonds (distance) C4'-P energy: -83.233 bonds (distance) P-C4' energy: -87.388 flat angles C4'-P-C4' energy: -81.866 flat angles P-C4'-P energy: -53.926 tors. eta vs tors. theta energy: -18.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -437.014407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.014407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.014407 (E_RNA) where: Base-Base interactions energy: -163.564 where: short stacking energy: -140.836 Base-Backbone interact. energy: 1.834 local terms energy: -275.285226 where: bonds (distance) C4'-P energy: -81.109 bonds (distance) P-C4' energy: -77.641 flat angles C4'-P-C4' energy: -56.237 flat angles P-C4'-P energy: -59.289 tors. eta vs tors. theta energy: -1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -394.508759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.508759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.508759 (E_RNA) where: Base-Base interactions energy: -123.017 where: short stacking energy: -108.672 Base-Backbone interact. energy: -1.377 local terms energy: -270.115004 where: bonds (distance) C4'-P energy: -74.128 bonds (distance) P-C4' energy: -92.495 flat angles C4'-P-C4' energy: -75.753 flat angles P-C4'-P energy: -40.977 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: 1, replica: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1539.581129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.581129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.581129 (E_RNA) where: Base-Base interactions energy: -1019.967 where: short stacking energy: -463.640 Base-Backbone interact. energy: 1.332 local terms energy: -520.945941 where: bonds (distance) C4'-P energy: -100.861 bonds (distance) P-C4' energy: -100.327 flat angles C4'-P-C4' energy: -103.961 flat angles P-C4'-P energy: -73.492 tors. eta vs tors. theta energy: -142.305 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: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1389.124947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.124947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.124947 (E_RNA) where: Base-Base interactions energy: -917.035 where: short stacking energy: -432.915 Base-Backbone interact. energy: -0.220 local terms energy: -471.869795 where: bonds (distance) C4'-P energy: -99.691 bonds (distance) P-C4' energy: -87.746 flat angles C4'-P-C4' energy: -93.688 flat angles P-C4'-P energy: -65.351 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: 3, replica: 2 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1300.290995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.290995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.290995 (E_RNA) where: Base-Base interactions energy: -824.901 where: short stacking energy: -386.287 Base-Backbone interact. energy: -3.307 local terms energy: -472.083543 where: bonds (distance) C4'-P energy: -95.157 bonds (distance) P-C4' energy: -98.522 flat angles C4'-P-C4' energy: -98.786 flat angles P-C4'-P energy: -62.661 tors. eta vs tors. theta energy: -116.957 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: 4, replica: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1233.079269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.079269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.079269 (E_RNA) where: Base-Base interactions energy: -806.072 where: short stacking energy: -360.599 Base-Backbone interact. energy: -0.173 local terms energy: -426.834236 where: bonds (distance) C4'-P energy: -77.946 bonds (distance) P-C4' energy: -87.124 flat angles C4'-P-C4' energy: -92.181 flat angles P-C4'-P energy: -67.842 tors. eta vs tors. theta energy: -101.742 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: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1094.155509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.155509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.155509 (E_RNA) where: Base-Base interactions energy: -691.116 where: short stacking energy: -335.017 Base-Backbone interact. energy: -2.941 local terms energy: -400.098365 where: bonds (distance) C4'-P energy: -93.671 bonds (distance) P-C4' energy: -87.821 flat angles C4'-P-C4' energy: -90.041 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: -84.146 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: 186 Temperature: 1.150000 Total energy: -906.632697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.632697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.632697 (E_RNA) where: Base-Base interactions energy: -541.315 where: short stacking energy: -251.210 Base-Backbone interact. energy: -0.889 local terms energy: -364.429460 where: bonds (distance) C4'-P energy: -88.402 bonds (distance) P-C4' energy: -81.572 flat angles C4'-P-C4' energy: -89.501 flat angles P-C4'-P energy: -49.566 tors. eta vs tors. theta energy: -55.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -814.818344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.818344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.818344 (E_RNA) where: Base-Base interactions energy: -457.796 where: short stacking energy: -233.616 Base-Backbone interact. energy: -1.323 local terms energy: -355.698620 where: bonds (distance) C4'-P energy: -85.809 bonds (distance) P-C4' energy: -86.830 flat angles C4'-P-C4' energy: -86.829 flat angles P-C4'-P energy: -60.934 tors. eta vs tors. theta energy: -35.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -686.138948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.138948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.138948 (E_RNA) where: Base-Base interactions energy: -347.205 where: short stacking energy: -206.676 Base-Backbone interact. energy: 1.621 local terms energy: -340.555780 where: bonds (distance) C4'-P energy: -82.255 bonds (distance) P-C4' energy: -94.098 flat angles C4'-P-C4' energy: -83.099 flat angles P-C4'-P energy: -49.158 tors. eta vs tors. theta energy: -31.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -409.994251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.994251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.994251 (E_RNA) where: Base-Base interactions energy: -162.847 where: short stacking energy: -143.741 Base-Backbone interact. energy: -0.530 local terms energy: -246.617016 where: bonds (distance) C4'-P energy: -67.905 bonds (distance) P-C4' energy: -88.459 flat angles C4'-P-C4' energy: -55.258 flat angles P-C4'-P energy: -40.156 tors. eta vs tors. theta energy: 5.161 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: 1 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -373.105340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.105340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.105340 (E_RNA) where: Base-Base interactions energy: -117.228 where: short stacking energy: -109.330 Base-Backbone interact. energy: 4.089 local terms energy: -259.966456 where: bonds (distance) C4'-P energy: -89.949 bonds (distance) P-C4' energy: -77.219 flat angles C4'-P-C4' energy: -65.448 flat angles P-C4'-P energy: -43.989 tors. eta vs tors. theta energy: 16.639 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: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1508.563375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.563375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.563375 (E_RNA) where: Base-Base interactions energy: -1001.593 where: short stacking energy: -441.112 Base-Backbone interact. energy: -0.790 local terms energy: -506.180509 where: bonds (distance) C4'-P energy: -94.148 bonds (distance) P-C4' energy: -89.653 flat angles C4'-P-C4' energy: -109.537 flat angles P-C4'-P energy: -68.256 tors. eta vs tors. theta energy: -144.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1379.386150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.386150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.386150 (E_RNA) where: Base-Base interactions energy: -917.647 where: short stacking energy: -442.451 Base-Backbone interact. energy: -2.455 local terms energy: -459.284202 where: bonds (distance) C4'-P energy: -74.694 bonds (distance) P-C4' energy: -73.039 flat angles C4'-P-C4' energy: -111.250 flat angles P-C4'-P energy: -72.982 tors. eta vs tors. theta energy: -127.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1294.322799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.322799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.322799 (E_RNA) where: Base-Base interactions energy: -825.718 where: short stacking energy: -383.275 Base-Backbone interact. energy: -2.853 local terms energy: -465.752532 where: bonds (distance) C4'-P energy: -98.100 bonds (distance) P-C4' energy: -99.117 flat angles C4'-P-C4' energy: -98.665 flat angles P-C4'-P energy: -53.895 tors. eta vs tors. theta energy: -115.976 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: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1225.172805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.172805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.172805 (E_RNA) where: Base-Base interactions energy: -806.568 where: short stacking energy: -358.040 Base-Backbone interact. energy: -1.848 local terms energy: -416.756849 where: bonds (distance) C4'-P energy: -83.118 bonds (distance) P-C4' energy: -85.151 flat angles C4'-P-C4' energy: -96.368 flat angles P-C4'-P energy: -57.834 tors. eta vs tors. theta energy: -94.285 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: 10 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1159.080074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.080074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.080074 (E_RNA) where: Base-Base interactions energy: -743.096 where: short stacking energy: -332.921 Base-Backbone interact. energy: -4.256 local terms energy: -411.728332 where: bonds (distance) C4'-P energy: -77.475 bonds (distance) P-C4' energy: -95.106 flat angles C4'-P-C4' energy: -92.552 flat angles P-C4'-P energy: -58.446 tors. eta vs tors. theta energy: -88.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -913.053878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.053878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.053878 (E_RNA) where: Base-Base interactions energy: -543.137 where: short stacking energy: -260.813 Base-Backbone interact. energy: 2.836 local terms energy: -372.752769 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -90.614 flat angles C4'-P-C4' energy: -94.112 flat angles P-C4'-P energy: -56.372 tors. eta vs tors. theta energy: -39.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -844.884956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.884956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.884956 (E_RNA) where: Base-Base interactions energy: -490.304 where: short stacking energy: -239.518 Base-Backbone interact. energy: -1.265 local terms energy: -353.315196 where: bonds (distance) C4'-P energy: -84.874 bonds (distance) P-C4' energy: -92.063 flat angles C4'-P-C4' energy: -79.492 flat angles P-C4'-P energy: -54.535 tors. eta vs tors. theta energy: -42.351 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: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -661.245466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.245466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.245466 (E_RNA) where: Base-Base interactions energy: -354.273 where: short stacking energy: -186.872 Base-Backbone interact. energy: -2.535 local terms energy: -304.437426 where: bonds (distance) C4'-P energy: -71.983 bonds (distance) P-C4' energy: -90.079 flat angles C4'-P-C4' energy: -88.718 flat angles P-C4'-P energy: -35.506 tors. eta vs tors. theta energy: -18.150 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: 187 Temperature: 1.300000 Total energy: -408.154857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.154857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.154857 (E_RNA) where: Base-Base interactions energy: -133.337 where: short stacking energy: -123.685 Base-Backbone interact. energy: 0.727 local terms energy: -275.544406 where: bonds (distance) C4'-P energy: -67.253 bonds (distance) P-C4' energy: -88.840 flat angles C4'-P-C4' energy: -71.110 flat angles P-C4'-P energy: -44.617 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -426.816541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.816541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.816541 (E_RNA) where: Base-Base interactions energy: -184.151 where: short stacking energy: -129.959 Base-Backbone interact. energy: 0.294 local terms energy: -242.960153 where: bonds (distance) C4'-P energy: -72.853 bonds (distance) P-C4' energy: -82.243 flat angles C4'-P-C4' energy: -61.972 flat angles P-C4'-P energy: -43.280 tors. eta vs tors. theta energy: 17.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1537.804342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.804342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.804342 (E_RNA) where: Base-Base interactions energy: -1014.115 where: short stacking energy: -473.813 Base-Backbone interact. energy: -3.916 local terms energy: -519.773847 where: bonds (distance) C4'-P energy: -88.091 bonds (distance) P-C4' energy: -111.776 flat angles C4'-P-C4' energy: -100.426 flat angles P-C4'-P energy: -74.574 tors. eta vs tors. theta energy: -144.907 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: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1400.434170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.434170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.434170 (E_RNA) where: Base-Base interactions energy: -908.986 where: short stacking energy: -440.337 Base-Backbone interact. energy: -0.703 local terms energy: -490.744986 where: bonds (distance) C4'-P energy: -97.326 bonds (distance) P-C4' energy: -84.024 flat angles C4'-P-C4' energy: -105.691 flat angles P-C4'-P energy: -71.724 tors. eta vs tors. theta energy: -131.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1282.713113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.713113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.713113 (E_RNA) where: Base-Base interactions energy: -838.318 where: short stacking energy: -367.907 Base-Backbone interact. energy: -3.995 local terms energy: -440.399887 where: bonds (distance) C4'-P energy: -90.589 bonds (distance) P-C4' energy: -75.082 flat angles C4'-P-C4' energy: -100.683 flat angles P-C4'-P energy: -70.496 tors. eta vs tors. theta energy: -103.550 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: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1276.026718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.026718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.026718 (E_RNA) where: Base-Base interactions energy: -831.148 where: short stacking energy: -405.225 Base-Backbone interact. energy: 1.608 local terms energy: -446.487103 where: bonds (distance) C4'-P energy: -90.999 bonds (distance) P-C4' energy: -86.125 flat angles C4'-P-C4' energy: -99.932 flat angles P-C4'-P energy: -60.778 tors. eta vs tors. theta energy: -108.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1098.381086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.381086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.381086 (E_RNA) where: Base-Base interactions energy: -724.829 where: short stacking energy: -313.780 Base-Backbone interact. energy: 0.584 local terms energy: -374.135899 where: bonds (distance) C4'-P energy: -73.224 bonds (distance) P-C4' energy: -78.696 flat angles C4'-P-C4' energy: -92.273 flat angles P-C4'-P energy: -54.727 tors. eta vs tors. theta energy: -75.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -952.247960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.247960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.247960 (E_RNA) where: Base-Base interactions energy: -559.719 where: short stacking energy: -303.716 Base-Backbone interact. energy: 1.680 local terms energy: -394.208600 where: bonds (distance) C4'-P energy: -73.639 bonds (distance) P-C4' energy: -99.508 flat angles C4'-P-C4' energy: -90.585 flat angles P-C4'-P energy: -51.039 tors. eta vs tors. theta energy: -79.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -829.379100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.379100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.379100 (E_RNA) where: Base-Base interactions energy: -462.755 where: short stacking energy: -244.661 Base-Backbone interact. energy: -2.336 local terms energy: -364.288000 where: bonds (distance) C4'-P energy: -85.422 bonds (distance) P-C4' energy: -92.822 flat angles C4'-P-C4' energy: -79.321 flat angles P-C4'-P energy: -62.670 tors. eta vs tors. theta energy: -44.053 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: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -660.439173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.439173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.439173 (E_RNA) where: Base-Base interactions energy: -345.241 where: short stacking energy: -197.370 Base-Backbone interact. energy: -1.368 local terms energy: -313.830643 where: bonds (distance) C4'-P energy: -87.687 bonds (distance) P-C4' energy: -89.259 flat angles C4'-P-C4' energy: -73.195 flat angles P-C4'-P energy: -44.044 tors. eta vs tors. theta energy: -19.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -419.840190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.840190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.840190 (E_RNA) where: Base-Base interactions energy: -148.518 where: short stacking energy: -126.416 Base-Backbone interact. energy: -1.345 local terms energy: -269.976787 where: bonds (distance) C4'-P energy: -70.731 bonds (distance) P-C4' energy: -90.227 flat angles C4'-P-C4' energy: -59.746 flat angles P-C4'-P energy: -48.747 tors. eta vs tors. theta energy: -0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -353.487519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.487519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.487519 (E_RNA) where: Base-Base interactions energy: -132.304 where: short stacking energy: -102.366 Base-Backbone interact. energy: 1.599 local terms energy: -222.782348 where: bonds (distance) C4'-P energy: -78.021 bonds (distance) P-C4' energy: -87.162 flat angles C4'-P-C4' energy: -57.049 flat angles P-C4'-P energy: -27.017 tors. eta vs tors. theta energy: 26.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1510.372243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.372243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.372243 (E_RNA) where: Base-Base interactions energy: -1025.246 where: short stacking energy: -467.093 Base-Backbone interact. energy: 3.596 local terms energy: -488.722933 where: bonds (distance) C4'-P energy: -91.354 bonds (distance) P-C4' energy: -84.412 flat angles C4'-P-C4' energy: -101.911 flat angles P-C4'-P energy: -71.385 tors. eta vs tors. theta energy: -139.660 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: 2, replica: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1383.879002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.879002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.879002 (E_RNA) where: Base-Base interactions energy: -899.835 where: short stacking energy: -438.362 Base-Backbone interact. energy: -2.162 local terms energy: -481.881507 where: bonds (distance) C4'-P energy: -87.100 bonds (distance) P-C4' energy: -91.698 flat angles C4'-P-C4' energy: -105.486 flat angles P-C4'-P energy: -66.305 tors. eta vs tors. theta energy: -131.293 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: 6 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1287.638383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.638383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.638383 (E_RNA) where: Base-Base interactions energy: -853.082 where: short stacking energy: -386.656 Base-Backbone interact. energy: -3.730 local terms energy: -430.825960 where: bonds (distance) C4'-P energy: -79.362 bonds (distance) P-C4' energy: -87.419 flat angles C4'-P-C4' energy: -103.536 flat angles P-C4'-P energy: -60.592 tors. eta vs tors. theta energy: -99.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1243.875272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.875272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.875272 (E_RNA) where: Base-Base interactions energy: -804.736 where: short stacking energy: -357.904 Base-Backbone interact. energy: -3.408 local terms energy: -435.730488 where: bonds (distance) C4'-P energy: -79.195 bonds (distance) P-C4' energy: -87.295 flat angles C4'-P-C4' energy: -95.826 flat angles P-C4'-P energy: -65.550 tors. eta vs tors. theta energy: -107.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1103.648399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.648399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.648399 (E_RNA) where: Base-Base interactions energy: -693.471 where: short stacking energy: -312.764 Base-Backbone interact. energy: -1.787 local terms energy: -408.390388 where: bonds (distance) C4'-P energy: -95.595 bonds (distance) P-C4' energy: -77.788 flat angles C4'-P-C4' energy: -94.589 flat angles P-C4'-P energy: -58.138 tors. eta vs tors. theta energy: -82.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -952.025641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.025641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.025641 (E_RNA) where: Base-Base interactions energy: -595.268 where: short stacking energy: -301.014 Base-Backbone interact. energy: -0.316 local terms energy: -356.442073 where: bonds (distance) C4'-P energy: -80.569 bonds (distance) P-C4' energy: -81.865 flat angles C4'-P-C4' energy: -84.969 flat angles P-C4'-P energy: -51.561 tors. eta vs tors. theta energy: -57.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -723.138581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.138581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.138581 (E_RNA) where: Base-Base interactions energy: -400.088 where: short stacking energy: -191.929 Base-Backbone interact. energy: -3.497 local terms energy: -319.553554 where: bonds (distance) C4'-P energy: -85.869 bonds (distance) P-C4' energy: -85.099 flat angles C4'-P-C4' energy: -70.847 flat angles P-C4'-P energy: -48.710 tors. eta vs tors. theta energy: -29.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -642.450977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.450977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.450977 (E_RNA) where: Base-Base interactions energy: -354.595 where: short stacking energy: -193.287 Base-Backbone interact. energy: 4.744 local terms energy: -292.599793 where: bonds (distance) C4'-P energy: -87.158 bonds (distance) P-C4' energy: -71.415 flat angles C4'-P-C4' energy: -79.918 flat angles P-C4'-P energy: -37.081 tors. eta vs tors. theta energy: -17.028 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: 189 Temperature: 1.300000 Total energy: -410.906774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.906774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.906774 (E_RNA) where: Base-Base interactions energy: -157.536 where: short stacking energy: -132.741 Base-Backbone interact. energy: 0.153 local terms energy: -253.523830 where: bonds (distance) C4'-P energy: -65.955 bonds (distance) P-C4' energy: -85.937 flat angles C4'-P-C4' energy: -68.971 flat angles P-C4'-P energy: -39.873 tors. eta vs tors. theta energy: 7.212 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: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -380.773479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.773479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.773479 (E_RNA) where: Base-Base interactions energy: -124.856 where: short stacking energy: -85.799 Base-Backbone interact. energy: -0.967 local terms energy: -254.950227 where: bonds (distance) C4'-P energy: -89.479 bonds (distance) P-C4' energy: -87.877 flat angles C4'-P-C4' energy: -58.314 flat angles P-C4'-P energy: -42.308 tors. eta vs tors. theta energy: 23.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1521.345476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.345476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.345476 (E_RNA) where: Base-Base interactions energy: -1031.975 where: short stacking energy: -461.597 Base-Backbone interact. energy: -3.803 local terms energy: -485.567060 where: bonds (distance) C4'-P energy: -87.616 bonds (distance) P-C4' energy: -74.662 flat angles C4'-P-C4' energy: -113.568 flat angles P-C4'-P energy: -76.336 tors. eta vs tors. theta energy: -133.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1433.717051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.717051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.717051 (E_RNA) where: Base-Base interactions energy: -934.100 where: short stacking energy: -449.112 Base-Backbone interact. energy: -2.077 local terms energy: -497.540176 where: bonds (distance) C4'-P energy: -95.752 bonds (distance) P-C4' energy: -98.213 flat angles C4'-P-C4' energy: -107.775 flat angles P-C4'-P energy: -70.400 tors. eta vs tors. theta energy: -125.401 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: 6 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1312.838438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.838438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.838438 (E_RNA) where: Base-Base interactions energy: -863.228 where: short stacking energy: -371.398 Base-Backbone interact. energy: -1.459 local terms energy: -448.152126 where: bonds (distance) C4'-P energy: -90.383 bonds (distance) P-C4' energy: -94.377 flat angles C4'-P-C4' energy: -97.153 flat angles P-C4'-P energy: -68.875 tors. eta vs tors. theta energy: -97.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1233.186707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.186707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.186707 (E_RNA) where: Base-Base interactions energy: -782.710 where: short stacking energy: -353.405 Base-Backbone interact. energy: -1.430 local terms energy: -449.046407 where: bonds (distance) C4'-P energy: -86.051 bonds (distance) P-C4' energy: -101.137 flat angles C4'-P-C4' energy: -99.928 flat angles P-C4'-P energy: -61.829 tors. eta vs tors. theta energy: -100.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1094.358941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.358941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.358941 (E_RNA) where: Base-Base interactions energy: -708.066 where: short stacking energy: -364.164 Base-Backbone interact. energy: -4.404 local terms energy: -381.889098 where: bonds (distance) C4'-P energy: -84.620 bonds (distance) P-C4' energy: -81.038 flat angles C4'-P-C4' energy: -87.077 flat angles P-C4'-P energy: -30.523 tors. eta vs tors. theta energy: -98.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -903.579491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.579491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.579491 (E_RNA) where: Base-Base interactions energy: -577.711 where: short stacking energy: -283.409 Base-Backbone interact. energy: 3.186 local terms energy: -329.054287 where: bonds (distance) C4'-P energy: -72.804 bonds (distance) P-C4' energy: -79.896 flat angles C4'-P-C4' energy: -77.912 flat angles P-C4'-P energy: -40.117 tors. eta vs tors. theta energy: -58.325 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: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -745.433626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.433626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.433626 (E_RNA) where: Base-Base interactions energy: -425.455 where: short stacking energy: -236.027 Base-Backbone interact. energy: -1.586 local terms energy: -318.392691 where: bonds (distance) C4'-P energy: -80.784 bonds (distance) P-C4' energy: -84.405 flat angles C4'-P-C4' energy: -69.709 flat angles P-C4'-P energy: -46.998 tors. eta vs tors. theta energy: -36.497 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: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -671.205841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.205841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.205841 (E_RNA) where: Base-Base interactions energy: -362.107 where: short stacking energy: -221.852 Base-Backbone interact. energy: -0.988 local terms energy: -308.110934 where: bonds (distance) C4'-P energy: -79.190 bonds (distance) P-C4' energy: -88.662 flat angles C4'-P-C4' energy: -80.424 flat angles P-C4'-P energy: -34.658 tors. eta vs tors. theta energy: -25.178 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: 190 Temperature: 1.300000 Total energy: -404.140958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.140958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.140958 (E_RNA) where: Base-Base interactions energy: -133.272 where: short stacking energy: -132.477 Base-Backbone interact. energy: -0.543 local terms energy: -270.325885 where: bonds (distance) C4'-P energy: -74.624 bonds (distance) P-C4' energy: -68.881 flat angles C4'-P-C4' energy: -95.409 flat angles P-C4'-P energy: -36.525 tors. eta vs tors. theta energy: 5.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -399.008312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.008312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.008312 (E_RNA) where: Base-Base interactions energy: -141.288 where: short stacking energy: -105.849 Base-Backbone interact. energy: -1.735 local terms energy: -255.985459 where: bonds (distance) C4'-P energy: -70.605 bonds (distance) P-C4' energy: -83.505 flat angles C4'-P-C4' energy: -72.481 flat angles P-C4'-P energy: -44.550 tors. eta vs tors. theta energy: 15.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1533.945310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.945310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.945310 (E_RNA) where: Base-Base interactions energy: -1025.538 where: short stacking energy: -458.735 Base-Backbone interact. energy: -2.433 local terms energy: -505.973879 where: bonds (distance) C4'-P energy: -89.993 bonds (distance) P-C4' energy: -107.405 flat angles C4'-P-C4' energy: -96.799 flat angles P-C4'-P energy: -71.913 tors. eta vs tors. theta energy: -139.865 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: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1393.035402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.035402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.035402 (E_RNA) where: Base-Base interactions energy: -898.866 where: short stacking energy: -434.183 Base-Backbone interact. energy: -0.583 local terms energy: -493.587167 where: bonds (distance) C4'-P energy: -95.903 bonds (distance) P-C4' energy: -99.979 flat angles C4'-P-C4' energy: -108.960 flat angles P-C4'-P energy: -68.340 tors. eta vs tors. theta energy: -120.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1343.187784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.187784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.187784 (E_RNA) where: Base-Base interactions energy: -883.915 where: short stacking energy: -404.884 Base-Backbone interact. energy: -0.964 local terms energy: -458.308047 where: bonds (distance) C4'-P energy: -90.194 bonds (distance) P-C4' energy: -92.917 flat angles C4'-P-C4' energy: -96.925 flat angles P-C4'-P energy: -68.760 tors. eta vs tors. theta energy: -109.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1245.506158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.506158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.506158 (E_RNA) where: Base-Base interactions energy: -820.317 where: short stacking energy: -372.141 Base-Backbone interact. energy: 3.027 local terms energy: -428.216581 where: bonds (distance) C4'-P energy: -82.258 bonds (distance) P-C4' energy: -98.775 flat angles C4'-P-C4' energy: -96.861 flat angles P-C4'-P energy: -48.943 tors. eta vs tors. theta energy: -101.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1074.376577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.376577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.376577 (E_RNA) where: Base-Base interactions energy: -683.650 where: short stacking energy: -315.470 Base-Backbone interact. energy: -0.873 local terms energy: -389.853280 where: bonds (distance) C4'-P energy: -71.737 bonds (distance) P-C4' energy: -88.869 flat angles C4'-P-C4' energy: -84.936 flat angles P-C4'-P energy: -62.752 tors. eta vs tors. theta energy: -81.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -944.835947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.835947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.835947 (E_RNA) where: Base-Base interactions energy: -563.036 where: short stacking energy: -287.201 Base-Backbone interact. energy: 0.431 local terms energy: -382.230197 where: bonds (distance) C4'-P energy: -97.220 bonds (distance) P-C4' energy: -66.147 flat angles C4'-P-C4' energy: -97.052 flat angles P-C4'-P energy: -50.275 tors. eta vs tors. theta energy: -71.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -737.424308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.424308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.424308 (E_RNA) where: Base-Base interactions energy: -421.287 where: short stacking energy: -208.280 Base-Backbone interact. energy: 3.900 local terms energy: -320.037226 where: bonds (distance) C4'-P energy: -84.638 bonds (distance) P-C4' energy: -88.380 flat angles C4'-P-C4' energy: -66.317 flat angles P-C4'-P energy: -50.764 tors. eta vs tors. theta energy: -29.938 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: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -657.808366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.808366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.808366 (E_RNA) where: Base-Base interactions energy: -344.041 where: short stacking energy: -199.936 Base-Backbone interact. energy: -1.078 local terms energy: -312.689458 where: bonds (distance) C4'-P energy: -85.839 bonds (distance) P-C4' energy: -86.189 flat angles C4'-P-C4' energy: -82.821 flat angles P-C4'-P energy: -43.026 tors. eta vs tors. theta energy: -14.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -399.616298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.616298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.616298 (E_RNA) where: Base-Base interactions energy: -143.888 where: short stacking energy: -119.609 Base-Backbone interact. energy: -0.463 local terms energy: -255.264857 where: bonds (distance) C4'-P energy: -71.802 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -49.080 flat angles P-C4'-P energy: -38.591 tors. eta vs tors. theta energy: -9.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -370.919842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.919842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.919842 (E_RNA) where: Base-Base interactions energy: -132.900 where: short stacking energy: -104.656 Base-Backbone interact. energy: 4.833 local terms energy: -242.853315 where: bonds (distance) C4'-P energy: -66.412 bonds (distance) P-C4' energy: -84.871 flat angles C4'-P-C4' energy: -62.711 flat angles P-C4'-P energy: -52.313 tors. eta vs tors. theta energy: 23.454 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: 8 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1551.400245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.400245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.400245 (E_RNA) where: Base-Base interactions energy: -1037.323 where: short stacking energy: -475.000 Base-Backbone interact. energy: -0.402 local terms energy: -513.675009 where: bonds (distance) C4'-P energy: -97.130 bonds (distance) P-C4' energy: -96.433 flat angles C4'-P-C4' energy: -108.971 flat angles P-C4'-P energy: -69.227 tors. eta vs tors. theta energy: -141.914 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: 4 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1421.658392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.658392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.658392 (E_RNA) where: Base-Base interactions energy: -934.429 where: short stacking energy: -443.534 Base-Backbone interact. energy: 2.986 local terms energy: -490.215291 where: bonds (distance) C4'-P energy: -89.049 bonds (distance) P-C4' energy: -96.172 flat angles C4'-P-C4' energy: -101.505 flat angles P-C4'-P energy: -69.219 tors. eta vs tors. theta energy: -134.270 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: 6 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1334.775460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.775460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.775460 (E_RNA) where: Base-Base interactions energy: -879.481 where: short stacking energy: -407.580 Base-Backbone interact. energy: -0.651 local terms energy: -454.643471 where: bonds (distance) C4'-P energy: -92.397 bonds (distance) P-C4' energy: -88.925 flat angles C4'-P-C4' energy: -103.043 flat angles P-C4'-P energy: -71.112 tors. eta vs tors. theta energy: -99.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1229.951637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.951637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.951637 (E_RNA) where: Base-Base interactions energy: -789.402 where: short stacking energy: -354.615 Base-Backbone interact. energy: -0.026 local terms energy: -440.524506 where: bonds (distance) C4'-P energy: -79.138 bonds (distance) P-C4' energy: -98.206 flat angles C4'-P-C4' energy: -97.692 flat angles P-C4'-P energy: -70.397 tors. eta vs tors. theta energy: -95.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1089.995055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.995055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.995055 (E_RNA) where: Base-Base interactions energy: -693.182 where: short stacking energy: -338.726 Base-Backbone interact. energy: -2.048 local terms energy: -394.764698 where: bonds (distance) C4'-P energy: -71.973 bonds (distance) P-C4' energy: -83.675 flat angles C4'-P-C4' energy: -90.355 flat angles P-C4'-P energy: -56.266 tors. eta vs tors. theta energy: -92.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -903.679383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.679383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.679383 (E_RNA) where: Base-Base interactions energy: -542.777 where: short stacking energy: -266.945 Base-Backbone interact. energy: -0.363 local terms energy: -360.539197 where: bonds (distance) C4'-P energy: -87.548 bonds (distance) P-C4' energy: -82.994 flat angles C4'-P-C4' energy: -90.783 flat angles P-C4'-P energy: -49.580 tors. eta vs tors. theta energy: -49.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -762.454786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.454786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.454786 (E_RNA) where: Base-Base interactions energy: -443.108 where: short stacking energy: -231.744 Base-Backbone interact. energy: -1.734 local terms energy: -317.612225 where: bonds (distance) C4'-P energy: -77.653 bonds (distance) P-C4' energy: -76.673 flat angles C4'-P-C4' energy: -86.078 flat angles P-C4'-P energy: -46.236 tors. eta vs tors. theta energy: -30.973 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: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -653.983472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.983472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.983472 (E_RNA) where: Base-Base interactions energy: -345.555 where: short stacking energy: -184.235 Base-Backbone interact. energy: -1.596 local terms energy: -306.832121 where: bonds (distance) C4'-P energy: -88.047 bonds (distance) P-C4' energy: -72.697 flat angles C4'-P-C4' energy: -65.198 flat angles P-C4'-P energy: -64.082 tors. eta vs tors. theta energy: -16.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -415.821354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.821354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.821354 (E_RNA) where: Base-Base interactions energy: -149.545 where: short stacking energy: -127.616 Base-Backbone interact. energy: 4.768 local terms energy: -271.044456 where: bonds (distance) C4'-P energy: -86.548 bonds (distance) P-C4' energy: -72.692 flat angles C4'-P-C4' energy: -66.151 flat angles P-C4'-P energy: -42.384 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -359.463385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.463385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.463385 (E_RNA) where: Base-Base interactions energy: -111.831 where: short stacking energy: -89.751 Base-Backbone interact. energy: -0.605 local terms energy: -247.027001 where: bonds (distance) C4'-P energy: -78.709 bonds (distance) P-C4' energy: -82.701 flat angles C4'-P-C4' energy: -69.872 flat angles P-C4'-P energy: -32.512 tors. eta vs tors. theta energy: 16.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1545.366406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.366406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.366406 (E_RNA) where: Base-Base interactions energy: -1042.057 where: short stacking energy: -480.340 Base-Backbone interact. energy: -0.925 local terms energy: -502.384471 where: bonds (distance) C4'-P energy: -93.660 bonds (distance) P-C4' energy: -97.202 flat angles C4'-P-C4' energy: -105.451 flat angles P-C4'-P energy: -66.084 tors. eta vs tors. theta energy: -139.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1438.175329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.175329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.175329 (E_RNA) where: Base-Base interactions energy: -964.415 where: short stacking energy: -452.301 Base-Backbone interact. energy: 2.128 local terms energy: -475.887863 where: bonds (distance) C4'-P energy: -81.474 bonds (distance) P-C4' energy: -96.541 flat angles C4'-P-C4' energy: -97.824 flat angles P-C4'-P energy: -59.417 tors. eta vs tors. theta energy: -140.632 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: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1326.223263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.223263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.223263 (E_RNA) where: Base-Base interactions energy: -878.616 where: short stacking energy: -389.127 Base-Backbone interact. energy: -1.175 local terms energy: -446.432860 where: bonds (distance) C4'-P energy: -92.107 bonds (distance) P-C4' energy: -82.871 flat angles C4'-P-C4' energy: -102.848 flat angles P-C4'-P energy: -67.943 tors. eta vs tors. theta energy: -100.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1243.740186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.740186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.740186 (E_RNA) where: Base-Base interactions energy: -785.284 where: short stacking energy: -343.406 Base-Backbone interact. energy: 0.058 local terms energy: -458.514166 where: bonds (distance) C4'-P energy: -94.517 bonds (distance) P-C4' energy: -97.983 flat angles C4'-P-C4' energy: -103.140 flat angles P-C4'-P energy: -59.651 tors. eta vs tors. theta energy: -103.223 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: 5, replica: 10 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1110.640740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.640740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.640740 (E_RNA) where: Base-Base interactions energy: -691.861 where: short stacking energy: -348.413 Base-Backbone interact. energy: -1.131 local terms energy: -417.649302 where: bonds (distance) C4'-P energy: -91.287 bonds (distance) P-C4' energy: -98.414 flat angles C4'-P-C4' energy: -82.435 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -95.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -903.806225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.806225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.806225 (E_RNA) where: Base-Base interactions energy: -538.615 where: short stacking energy: -261.373 Base-Backbone interact. energy: 1.129 local terms energy: -366.319629 where: bonds (distance) C4'-P energy: -90.830 bonds (distance) P-C4' energy: -86.718 flat angles C4'-P-C4' energy: -84.198 flat angles P-C4'-P energy: -47.108 tors. eta vs tors. theta energy: -57.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -733.735022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.735022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.735022 (E_RNA) where: Base-Base interactions energy: -399.135 where: short stacking energy: -219.055 Base-Backbone interact. energy: 2.653 local terms energy: -337.252964 where: bonds (distance) C4'-P energy: -79.249 bonds (distance) P-C4' energy: -99.262 flat angles C4'-P-C4' energy: -76.959 flat angles P-C4'-P energy: -54.648 tors. eta vs tors. theta energy: -27.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -613.174936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.174936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.174936 (E_RNA) where: Base-Base interactions energy: -319.485 where: short stacking energy: -182.327 Base-Backbone interact. energy: -0.975 local terms energy: -292.715586 where: bonds (distance) C4'-P energy: -75.132 bonds (distance) P-C4' energy: -75.710 flat angles C4'-P-C4' energy: -79.479 flat angles P-C4'-P energy: -50.104 tors. eta vs tors. theta energy: -12.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -398.379377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.379377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.379377 (E_RNA) where: Base-Base interactions energy: -137.875 where: short stacking energy: -110.746 Base-Backbone interact. energy: 0.520 local terms energy: -261.025094 where: bonds (distance) C4'-P energy: -72.136 bonds (distance) P-C4' energy: -89.538 flat angles C4'-P-C4' energy: -71.636 flat angles P-C4'-P energy: -40.914 tors. eta vs tors. theta energy: 13.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -389.659444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.659444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.659444 (E_RNA) where: Base-Base interactions energy: -129.571 where: short stacking energy: -113.157 Base-Backbone interact. energy: -0.449 local terms energy: -259.640025 where: bonds (distance) C4'-P energy: -66.111 bonds (distance) P-C4' energy: -89.561 flat angles C4'-P-C4' energy: -68.579 flat angles P-C4'-P energy: -37.124 tors. eta vs tors. theta energy: 1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1503.728521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.728521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.728521 (E_RNA) where: Base-Base interactions energy: -1013.599 where: short stacking energy: -446.479 Base-Backbone interact. energy: -0.110 local terms energy: -490.019644 where: bonds (distance) C4'-P energy: -89.752 bonds (distance) P-C4' energy: -90.257 flat angles C4'-P-C4' energy: -100.431 flat angles P-C4'-P energy: -72.024 tors. eta vs tors. theta energy: -137.555 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: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1414.206193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.206193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.206193 (E_RNA) where: Base-Base interactions energy: -936.688 where: short stacking energy: -443.305 Base-Backbone interact. energy: -1.334 local terms energy: -476.184615 where: bonds (distance) C4'-P energy: -90.733 bonds (distance) P-C4' energy: -88.032 flat angles C4'-P-C4' energy: -102.168 flat angles P-C4'-P energy: -69.419 tors. eta vs tors. theta energy: -125.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1309.350358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.350358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.350358 (E_RNA) where: Base-Base interactions energy: -848.412 where: short stacking energy: -366.112 Base-Backbone interact. energy: -1.804 local terms energy: -459.133735 where: bonds (distance) C4'-P energy: -86.690 bonds (distance) P-C4' energy: -103.834 flat angles C4'-P-C4' energy: -96.093 flat angles P-C4'-P energy: -65.649 tors. eta vs tors. theta energy: -106.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1252.890753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.890753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.890753 (E_RNA) where: Base-Base interactions energy: -813.660 where: short stacking energy: -375.191 Base-Backbone interact. energy: -1.521 local terms energy: -437.710138 where: bonds (distance) C4'-P energy: -85.209 bonds (distance) P-C4' energy: -93.154 flat angles C4'-P-C4' energy: -96.754 flat angles P-C4'-P energy: -60.753 tors. eta vs tors. theta energy: -101.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1079.689219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.689219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.689219 (E_RNA) where: Base-Base interactions energy: -697.743 where: short stacking energy: -333.020 Base-Backbone interact. energy: -1.614 local terms energy: -380.331599 where: bonds (distance) C4'-P energy: -79.421 bonds (distance) P-C4' energy: -83.859 flat angles C4'-P-C4' energy: -90.117 flat angles P-C4'-P energy: -59.233 tors. eta vs tors. theta energy: -67.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -847.312619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.312619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.312619 (E_RNA) where: Base-Base interactions energy: -517.869 where: short stacking energy: -271.368 Base-Backbone interact. energy: 9.053 local terms energy: -338.496598 where: bonds (distance) C4'-P energy: -81.225 bonds (distance) P-C4' energy: -76.958 flat angles C4'-P-C4' energy: -71.787 flat angles P-C4'-P energy: -64.480 tors. eta vs tors. theta energy: -44.047 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: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -758.023873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.023873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.023873 (E_RNA) where: Base-Base interactions energy: -408.291 where: short stacking energy: -219.298 Base-Backbone interact. energy: -2.054 local terms energy: -347.678639 where: bonds (distance) C4'-P energy: -91.351 bonds (distance) P-C4' energy: -93.097 flat angles C4'-P-C4' energy: -88.307 flat angles P-C4'-P energy: -45.796 tors. eta vs tors. theta energy: -29.128 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: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -618.145756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.145756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.145756 (E_RNA) where: Base-Base interactions energy: -321.752 where: short stacking energy: -212.149 Base-Backbone interact. energy: 0.440 local terms energy: -296.834631 where: bonds (distance) C4'-P energy: -66.469 bonds (distance) P-C4' energy: -84.960 flat angles C4'-P-C4' energy: -72.713 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: -25.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -421.592825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.592825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.592825 (E_RNA) where: Base-Base interactions energy: -145.128 where: short stacking energy: -136.836 Base-Backbone interact. energy: -0.724 local terms energy: -275.740431 where: bonds (distance) C4'-P energy: -67.379 bonds (distance) P-C4' energy: -95.671 flat angles C4'-P-C4' energy: -73.673 flat angles P-C4'-P energy: -34.706 tors. eta vs tors. theta energy: -4.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -348.374529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.374529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.374529 (E_RNA) where: Base-Base interactions energy: -118.014 where: short stacking energy: -79.397 Base-Backbone interact. energy: -1.046 local terms energy: -229.315112 where: bonds (distance) C4'-P energy: -76.750 bonds (distance) P-C4' energy: -84.023 flat angles C4'-P-C4' energy: -53.354 flat angles P-C4'-P energy: -43.863 tors. eta vs tors. theta energy: 28.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1502.896881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.896881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.896881 (E_RNA) where: Base-Base interactions energy: -1010.026 where: short stacking energy: -473.084 Base-Backbone interact. energy: -0.569 local terms energy: -492.301949 where: bonds (distance) C4'-P energy: -95.421 bonds (distance) P-C4' energy: -87.578 flat angles C4'-P-C4' energy: -107.876 flat angles P-C4'-P energy: -58.135 tors. eta vs tors. theta energy: -143.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1406.965361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.965361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.965361 (E_RNA) where: Base-Base interactions energy: -909.070 where: short stacking energy: -433.008 Base-Backbone interact. energy: -0.748 local terms energy: -497.147289 where: bonds (distance) C4'-P energy: -81.432 bonds (distance) P-C4' energy: -102.810 flat angles C4'-P-C4' energy: -101.258 flat angles P-C4'-P energy: -77.332 tors. eta vs tors. theta energy: -134.315 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: 6 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1268.607364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.607364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.607364 (E_RNA) where: Base-Base interactions energy: -834.069 where: short stacking energy: -347.420 Base-Backbone interact. energy: -1.743 local terms energy: -432.795934 where: bonds (distance) C4'-P energy: -89.065 bonds (distance) P-C4' energy: -90.979 flat angles C4'-P-C4' energy: -99.054 flat angles P-C4'-P energy: -62.786 tors. eta vs tors. theta energy: -90.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1241.853320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.853320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.853320 (E_RNA) where: Base-Base interactions energy: -792.110 where: short stacking energy: -360.529 Base-Backbone interact. energy: -2.689 local terms energy: -447.054961 where: bonds (distance) C4'-P energy: -86.323 bonds (distance) P-C4' energy: -94.409 flat angles C4'-P-C4' energy: -103.550 flat angles P-C4'-P energy: -67.239 tors. eta vs tors. theta energy: -95.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1063.390999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.390999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.390999 (E_RNA) where: Base-Base interactions energy: -647.253 where: short stacking energy: -304.092 Base-Backbone interact. energy: 1.812 local terms energy: -417.950627 where: bonds (distance) C4'-P energy: -98.655 bonds (distance) P-C4' energy: -101.325 flat angles C4'-P-C4' energy: -89.917 flat angles P-C4'-P energy: -53.099 tors. eta vs tors. theta energy: -74.955 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: 195 Temperature: 1.150000 Total energy: -858.276820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.276820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.276820 (E_RNA) where: Base-Base interactions energy: -487.176 where: short stacking energy: -252.245 Base-Backbone interact. energy: 1.253 local terms energy: -372.354333 where: bonds (distance) C4'-P energy: -86.436 bonds (distance) P-C4' energy: -99.646 flat angles C4'-P-C4' energy: -77.214 flat angles P-C4'-P energy: -57.111 tors. eta vs tors. theta energy: -51.947 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: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -727.091548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.091548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.091548 (E_RNA) where: Base-Base interactions energy: -381.122 where: short stacking energy: -208.308 Base-Backbone interact. energy: 0.249 local terms energy: -346.218172 where: bonds (distance) C4'-P energy: -94.040 bonds (distance) P-C4' energy: -94.416 flat angles C4'-P-C4' energy: -78.470 flat angles P-C4'-P energy: -50.667 tors. eta vs tors. theta energy: -28.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -668.168399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.168399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.168399 (E_RNA) where: Base-Base interactions energy: -371.413 where: short stacking energy: -203.991 Base-Backbone interact. energy: 5.156 local terms energy: -301.910862 where: bonds (distance) C4'-P energy: -79.689 bonds (distance) P-C4' energy: -81.592 flat angles C4'-P-C4' energy: -87.798 flat angles P-C4'-P energy: -33.404 tors. eta vs tors. theta energy: -19.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -390.432472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.432472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.432472 (E_RNA) where: Base-Base interactions energy: -160.256 where: short stacking energy: -123.051 Base-Backbone interact. energy: 5.062 local terms energy: -235.238014 where: bonds (distance) C4'-P energy: -67.667 bonds (distance) P-C4' energy: -91.377 flat angles C4'-P-C4' energy: -55.405 flat angles P-C4'-P energy: -44.595 tors. eta vs tors. theta energy: 23.807 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: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -379.584951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.584951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.584951 (E_RNA) where: Base-Base interactions energy: -136.921 where: short stacking energy: -134.258 Base-Backbone interact. energy: 0.005 local terms energy: -242.668623 where: bonds (distance) C4'-P energy: -58.446 bonds (distance) P-C4' energy: -78.006 flat angles C4'-P-C4' energy: -64.985 flat angles P-C4'-P energy: -34.375 tors. eta vs tors. theta energy: -6.857 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: 8 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1512.047757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.047757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.047757 (E_RNA) where: Base-Base interactions energy: -1004.103 where: short stacking energy: -446.358 Base-Backbone interact. energy: -3.205 local terms energy: -504.739644 where: bonds (distance) C4'-P energy: -85.980 bonds (distance) P-C4' energy: -89.302 flat angles C4'-P-C4' energy: -112.975 flat angles P-C4'-P energy: -77.746 tors. eta vs tors. theta energy: -138.737 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: 4 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1411.919991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.919991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.919991 (E_RNA) where: Base-Base interactions energy: -912.796 where: short stacking energy: -427.429 Base-Backbone interact. energy: 5.851 local terms energy: -504.975004 where: bonds (distance) C4'-P energy: -98.729 bonds (distance) P-C4' energy: -99.498 flat angles C4'-P-C4' energy: -110.935 flat angles P-C4'-P energy: -67.054 tors. eta vs tors. theta energy: -128.758 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: 3, replica: 6 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1285.990825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.990825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.990825 (E_RNA) where: Base-Base interactions energy: -833.348 where: short stacking energy: -388.701 Base-Backbone interact. energy: -1.151 local terms energy: -451.491710 where: bonds (distance) C4'-P energy: -92.520 bonds (distance) P-C4' energy: -90.108 flat angles C4'-P-C4' energy: -102.334 flat angles P-C4'-P energy: -70.406 tors. eta vs tors. theta energy: -96.123 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: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1242.504379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.504379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.504379 (E_RNA) where: Base-Base interactions energy: -795.213 where: short stacking energy: -364.568 Base-Backbone interact. energy: -3.027 local terms energy: -444.263889 where: bonds (distance) C4'-P energy: -89.667 bonds (distance) P-C4' energy: -94.922 flat angles C4'-P-C4' energy: -92.595 flat angles P-C4'-P energy: -68.840 tors. eta vs tors. theta energy: -98.240 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: 10 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1107.180473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.180473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.180473 (E_RNA) where: Base-Base interactions energy: -689.079 where: short stacking energy: -343.528 Base-Backbone interact. energy: -0.958 local terms energy: -417.143647 where: bonds (distance) C4'-P energy: -91.796 bonds (distance) P-C4' energy: -77.422 flat angles C4'-P-C4' energy: -84.828 flat angles P-C4'-P energy: -63.685 tors. eta vs tors. theta energy: -99.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -888.228777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.228777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.228777 (E_RNA) where: Base-Base interactions energy: -533.787 where: short stacking energy: -273.310 Base-Backbone interact. energy: -2.202 local terms energy: -352.239662 where: bonds (distance) C4'-P energy: -92.167 bonds (distance) P-C4' energy: -82.458 flat angles C4'-P-C4' energy: -79.976 flat angles P-C4'-P energy: -50.847 tors. eta vs tors. theta energy: -46.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -751.102616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.102616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.102616 (E_RNA) where: Base-Base interactions energy: -389.163 where: short stacking energy: -213.576 Base-Backbone interact. energy: -0.993 local terms energy: -360.946245 where: bonds (distance) C4'-P energy: -82.648 bonds (distance) P-C4' energy: -94.403 flat angles C4'-P-C4' energy: -88.611 flat angles P-C4'-P energy: -61.999 tors. eta vs tors. theta energy: -33.285 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: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -646.660466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.660466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.660466 (E_RNA) where: Base-Base interactions energy: -351.350 where: short stacking energy: -196.023 Base-Backbone interact. energy: -2.323 local terms energy: -292.987892 where: bonds (distance) C4'-P energy: -67.014 bonds (distance) P-C4' energy: -94.805 flat angles C4'-P-C4' energy: -63.572 flat angles P-C4'-P energy: -39.880 tors. eta vs tors. theta energy: -27.717 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: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -403.718113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.718113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.718113 (E_RNA) where: Base-Base interactions energy: -163.949 where: short stacking energy: -136.566 Base-Backbone interact. energy: 2.999 local terms energy: -242.767680 where: bonds (distance) C4'-P energy: -86.911 bonds (distance) P-C4' energy: -75.848 flat angles C4'-P-C4' energy: -49.114 flat angles P-C4'-P energy: -39.827 tors. eta vs tors. theta energy: 8.933 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: 196 Temperature: 1.350000 Total energy: -386.453442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.453442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.453442 (E_RNA) where: Base-Base interactions energy: -150.347 where: short stacking energy: -119.463 Base-Backbone interact. energy: 5.546 local terms energy: -241.652682 where: bonds (distance) C4'-P energy: -76.716 bonds (distance) P-C4' energy: -83.747 flat angles C4'-P-C4' energy: -51.470 flat angles P-C4'-P energy: -36.743 tors. eta vs tors. theta energy: 7.025 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: 8 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1493.975689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.975689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.975689 (E_RNA) where: Base-Base interactions energy: -998.271 where: short stacking energy: -465.162 Base-Backbone interact. energy: -2.836 local terms energy: -492.868185 where: bonds (distance) C4'-P energy: -93.027 bonds (distance) P-C4' energy: -89.869 flat angles C4'-P-C4' energy: -105.230 flat angles P-C4'-P energy: -66.445 tors. eta vs tors. theta energy: -138.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1409.523696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.523696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.523696 (E_RNA) where: Base-Base interactions energy: -911.331 where: short stacking energy: -425.319 Base-Backbone interact. energy: -0.275 local terms energy: -497.917342 where: bonds (distance) C4'-P energy: -99.855 bonds (distance) P-C4' energy: -84.944 flat angles C4'-P-C4' energy: -115.844 flat angles P-C4'-P energy: -76.427 tors. eta vs tors. theta energy: -120.846 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: 6 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1240.903507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.903507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.903507 (E_RNA) where: Base-Base interactions energy: -827.947 where: short stacking energy: -360.561 Base-Backbone interact. energy: 0.320 local terms energy: -413.277127 where: bonds (distance) C4'-P energy: -91.819 bonds (distance) P-C4' energy: -86.552 flat angles C4'-P-C4' energy: -89.729 flat angles P-C4'-P energy: -51.090 tors. eta vs tors. theta energy: -94.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1248.825613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.825613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.825613 (E_RNA) where: Base-Base interactions energy: -798.396 where: short stacking energy: -369.487 Base-Backbone interact. energy: -1.295 local terms energy: -449.135296 where: bonds (distance) C4'-P energy: -85.623 bonds (distance) P-C4' energy: -94.404 flat angles C4'-P-C4' energy: -100.253 flat angles P-C4'-P energy: -61.370 tors. eta vs tors. theta energy: -107.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1112.158650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.158650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.158650 (E_RNA) where: Base-Base interactions energy: -701.804 where: short stacking energy: -330.657 Base-Backbone interact. energy: 0.863 local terms energy: -411.217641 where: bonds (distance) C4'-P energy: -90.241 bonds (distance) P-C4' energy: -82.841 flat angles C4'-P-C4' energy: -98.247 flat angles P-C4'-P energy: -60.237 tors. eta vs tors. theta energy: -79.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -902.817858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.817858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.817858 (E_RNA) where: Base-Base interactions energy: -547.069 where: short stacking energy: -277.378 Base-Backbone interact. energy: 1.056 local terms energy: -356.805249 where: bonds (distance) C4'-P energy: -81.840 bonds (distance) P-C4' energy: -85.056 flat angles C4'-P-C4' energy: -81.940 flat angles P-C4'-P energy: -57.925 tors. eta vs tors. theta energy: -50.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -764.987392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.987392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.987392 (E_RNA) where: Base-Base interactions energy: -431.568 where: short stacking energy: -237.487 Base-Backbone interact. energy: -0.176 local terms energy: -333.243166 where: bonds (distance) C4'-P energy: -79.363 bonds (distance) P-C4' energy: -82.076 flat angles C4'-P-C4' energy: -79.065 flat angles P-C4'-P energy: -52.514 tors. eta vs tors. theta energy: -40.225 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: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -647.648899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.648899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.648899 (E_RNA) where: Base-Base interactions energy: -351.141 where: short stacking energy: -172.617 Base-Backbone interact. energy: -0.214 local terms energy: -296.294374 where: bonds (distance) C4'-P energy: -88.326 bonds (distance) P-C4' energy: -78.380 flat angles C4'-P-C4' energy: -80.281 flat angles P-C4'-P energy: -40.383 tors. eta vs tors. theta energy: -8.923 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: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -427.313212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.313212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.313212 (E_RNA) where: Base-Base interactions energy: -159.303 where: short stacking energy: -127.889 Base-Backbone interact. energy: 3.594 local terms energy: -271.604669 where: bonds (distance) C4'-P energy: -93.422 bonds (distance) P-C4' energy: -83.372 flat angles C4'-P-C4' energy: -62.156 flat angles P-C4'-P energy: -36.497 tors. eta vs tors. theta energy: 3.842 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: 10, replica: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -377.713696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.713696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.713696 (E_RNA) where: Base-Base interactions energy: -139.914 where: short stacking energy: -133.713 Base-Backbone interact. energy: 0.871 local terms energy: -238.670086 where: bonds (distance) C4'-P energy: -88.920 bonds (distance) P-C4' energy: -89.621 flat angles C4'-P-C4' energy: -48.234 flat angles P-C4'-P energy: -26.320 tors. eta vs tors. theta energy: 14.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1527.541446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.541446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.541446 (E_RNA) where: Base-Base interactions energy: -1016.960 where: short stacking energy: -467.336 Base-Backbone interact. energy: -1.686 local terms energy: -508.894635 where: bonds (distance) C4'-P energy: -102.596 bonds (distance) P-C4' energy: -104.384 flat angles C4'-P-C4' energy: -103.278 flat angles P-C4'-P energy: -66.170 tors. eta vs tors. theta energy: -132.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1447.292390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.292390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.292390 (E_RNA) where: Base-Base interactions energy: -945.812 where: short stacking energy: -453.144 Base-Backbone interact. energy: -1.504 local terms energy: -499.976705 where: bonds (distance) C4'-P energy: -94.103 bonds (distance) P-C4' energy: -90.231 flat angles C4'-P-C4' energy: -107.071 flat angles P-C4'-P energy: -75.122 tors. eta vs tors. theta energy: -133.449 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: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1289.530903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.530903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.530903 (E_RNA) where: Base-Base interactions energy: -860.950 where: short stacking energy: -419.004 Base-Backbone interact. energy: 0.237 local terms energy: -428.817483 where: bonds (distance) C4'-P energy: -87.717 bonds (distance) P-C4' energy: -89.949 flat angles C4'-P-C4' energy: -80.869 flat angles P-C4'-P energy: -62.680 tors. eta vs tors. theta energy: -107.603 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: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1214.503514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.503514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.503514 (E_RNA) where: Base-Base interactions energy: -808.998 where: short stacking energy: -358.444 Base-Backbone interact. energy: -2.116 local terms energy: -403.389625 where: bonds (distance) C4'-P energy: -67.783 bonds (distance) P-C4' energy: -73.890 flat angles C4'-P-C4' energy: -103.404 flat angles P-C4'-P energy: -65.977 tors. eta vs tors. theta energy: -92.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1103.721842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.721842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.721842 (E_RNA) where: Base-Base interactions energy: -702.277 where: short stacking energy: -302.229 Base-Backbone interact. energy: -2.178 local terms energy: -399.266598 where: bonds (distance) C4'-P energy: -80.465 bonds (distance) P-C4' energy: -99.666 flat angles C4'-P-C4' energy: -96.397 flat angles P-C4'-P energy: -43.271 tors. eta vs tors. theta energy: -79.468 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: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -897.583535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.583535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.583535 (E_RNA) where: Base-Base interactions energy: -531.328 where: short stacking energy: -258.019 Base-Backbone interact. energy: 6.122 local terms energy: -372.377580 where: bonds (distance) C4'-P energy: -105.544 bonds (distance) P-C4' energy: -78.819 flat angles C4'-P-C4' energy: -82.434 flat angles P-C4'-P energy: -54.356 tors. eta vs tors. theta energy: -51.224 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: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -740.785150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.785150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.785150 (E_RNA) where: Base-Base interactions energy: -431.718 where: short stacking energy: -230.486 Base-Backbone interact. energy: -1.230 local terms energy: -307.837719 where: bonds (distance) C4'-P energy: -71.843 bonds (distance) P-C4' energy: -81.290 flat angles C4'-P-C4' energy: -87.820 flat angles P-C4'-P energy: -35.722 tors. eta vs tors. theta energy: -31.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -625.855824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.855824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.855824 (E_RNA) where: Base-Base interactions energy: -336.281 where: short stacking energy: -166.421 Base-Backbone interact. energy: 0.819 local terms energy: -290.393724 where: bonds (distance) C4'-P energy: -85.673 bonds (distance) P-C4' energy: -83.306 flat angles C4'-P-C4' energy: -75.303 flat angles P-C4'-P energy: -32.449 tors. eta vs tors. theta energy: -13.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -442.982944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.982944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.982944 (E_RNA) where: Base-Base interactions energy: -224.529 where: short stacking energy: -160.122 Base-Backbone interact. energy: -1.032 local terms energy: -217.421187 where: bonds (distance) C4'-P energy: -59.063 bonds (distance) P-C4' energy: -79.811 flat angles C4'-P-C4' energy: -62.131 flat angles P-C4'-P energy: -26.507 tors. eta vs tors. theta energy: 10.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -366.047855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.047855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.047855 (E_RNA) where: Base-Base interactions energy: -136.275 where: short stacking energy: -113.392 Base-Backbone interact. energy: 0.353 local terms energy: -230.125721 where: bonds (distance) C4'-P energy: -74.722 bonds (distance) P-C4' energy: -71.729 flat angles C4'-P-C4' energy: -58.459 flat angles P-C4'-P energy: -33.933 tors. eta vs tors. theta energy: 8.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1511.952870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.952870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.952870 (E_RNA) where: Base-Base interactions energy: -1012.529 where: short stacking energy: -457.677 Base-Backbone interact. energy: -2.616 local terms energy: -496.806984 where: bonds (distance) C4'-P energy: -88.981 bonds (distance) P-C4' energy: -98.274 flat angles C4'-P-C4' energy: -109.973 flat angles P-C4'-P energy: -69.703 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: 2, replica: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1432.110779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.110779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.110779 (E_RNA) where: Base-Base interactions energy: -913.688 where: short stacking energy: -428.987 Base-Backbone interact. energy: -1.055 local terms energy: -517.368194 where: bonds (distance) C4'-P energy: -93.757 bonds (distance) P-C4' energy: -111.216 flat angles C4'-P-C4' energy: -104.469 flat angles P-C4'-P energy: -73.683 tors. eta vs tors. theta energy: -134.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1318.399058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.399058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.399058 (E_RNA) where: Base-Base interactions energy: -870.318 where: short stacking energy: -399.607 Base-Backbone interact. energy: 0.543 local terms energy: -448.624338 where: bonds (distance) C4'-P energy: -91.702 bonds (distance) P-C4' energy: -86.031 flat angles C4'-P-C4' energy: -108.168 flat angles P-C4'-P energy: -59.451 tors. eta vs tors. theta energy: -103.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1186.465745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.465745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.465745 (E_RNA) where: Base-Base interactions energy: -779.898 where: short stacking energy: -351.598 Base-Backbone interact. energy: -2.436 local terms energy: -404.131690 where: bonds (distance) C4'-P energy: -82.524 bonds (distance) P-C4' energy: -78.581 flat angles C4'-P-C4' energy: -100.692 flat angles P-C4'-P energy: -58.913 tors. eta vs tors. theta energy: -83.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1092.094912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.094912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.094912 (E_RNA) where: Base-Base interactions energy: -680.778 where: short stacking energy: -315.856 Base-Backbone interact. energy: 0.044 local terms energy: -411.360241 where: bonds (distance) C4'-P energy: -88.340 bonds (distance) P-C4' energy: -93.012 flat angles C4'-P-C4' energy: -96.322 flat angles P-C4'-P energy: -51.283 tors. eta vs tors. theta energy: -82.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -853.777355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.777355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.777355 (E_RNA) where: Base-Base interactions energy: -512.854 where: short stacking energy: -259.855 Base-Backbone interact. energy: -3.103 local terms energy: -337.820026 where: bonds (distance) C4'-P energy: -70.780 bonds (distance) P-C4' energy: -88.168 flat angles C4'-P-C4' energy: -76.615 flat angles P-C4'-P energy: -57.705 tors. eta vs tors. theta energy: -44.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -735.726899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.726899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.726899 (E_RNA) where: Base-Base interactions energy: -429.210 where: short stacking energy: -206.622 Base-Backbone interact. energy: -0.139 local terms energy: -306.377376 where: bonds (distance) C4'-P energy: -78.586 bonds (distance) P-C4' energy: -83.067 flat angles C4'-P-C4' energy: -76.034 flat angles P-C4'-P energy: -43.625 tors. eta vs tors. theta energy: -25.065 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: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -662.348686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.348686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.348686 (E_RNA) where: Base-Base interactions energy: -342.908 where: short stacking energy: -201.214 Base-Backbone interact. energy: 2.381 local terms energy: -321.822334 where: bonds (distance) C4'-P energy: -98.272 bonds (distance) P-C4' energy: -69.542 flat angles C4'-P-C4' energy: -86.206 flat angles P-C4'-P energy: -55.729 tors. eta vs tors. theta energy: -12.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -417.652078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.652078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.652078 (E_RNA) where: Base-Base interactions energy: -140.057 where: short stacking energy: -120.053 Base-Backbone interact. energy: -0.279 local terms energy: -277.316288 where: bonds (distance) C4'-P energy: -76.817 bonds (distance) P-C4' energy: -80.062 flat angles C4'-P-C4' energy: -75.116 flat angles P-C4'-P energy: -49.604 tors. eta vs tors. theta energy: 4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -360.509385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.509385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.509385 (E_RNA) where: Base-Base interactions energy: -135.647 where: short stacking energy: -120.618 Base-Backbone interact. energy: 1.399 local terms energy: -226.261358 where: bonds (distance) C4'-P energy: -63.274 bonds (distance) P-C4' energy: -90.908 flat angles C4'-P-C4' energy: -45.650 flat angles P-C4'-P energy: -29.199 tors. eta vs tors. theta energy: 2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1502.457447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.457447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.457447 (E_RNA) where: Base-Base interactions energy: -992.172 where: short stacking energy: -456.869 Base-Backbone interact. energy: -4.894 local terms energy: -505.391937 where: bonds (distance) C4'-P energy: -94.550 bonds (distance) P-C4' energy: -104.150 flat angles C4'-P-C4' energy: -106.124 flat angles P-C4'-P energy: -67.209 tors. eta vs tors. theta energy: -133.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1453.748237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.748237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.748237 (E_RNA) where: Base-Base interactions energy: -967.222 where: short stacking energy: -449.331 Base-Backbone interact. energy: -2.619 local terms energy: -483.906718 where: bonds (distance) C4'-P energy: -82.296 bonds (distance) P-C4' energy: -107.937 flat angles C4'-P-C4' energy: -101.247 flat angles P-C4'-P energy: -68.403 tors. eta vs tors. theta energy: -124.024 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: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1329.461508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.461508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.461508 (E_RNA) where: Base-Base interactions energy: -863.321 where: short stacking energy: -399.098 Base-Backbone interact. energy: -1.532 local terms energy: -464.608189 where: bonds (distance) C4'-P energy: -91.898 bonds (distance) P-C4' energy: -101.231 flat angles C4'-P-C4' energy: -96.622 flat angles P-C4'-P energy: -64.509 tors. eta vs tors. theta energy: -110.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1225.062721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.062721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.062721 (E_RNA) where: Base-Base interactions energy: -794.435 where: short stacking energy: -365.827 Base-Backbone interact. energy: -6.156 local terms energy: -424.471803 where: bonds (distance) C4'-P energy: -91.022 bonds (distance) P-C4' energy: -84.419 flat angles C4'-P-C4' energy: -91.919 flat angles P-C4'-P energy: -62.395 tors. eta vs tors. theta energy: -94.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1111.763043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.763043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.763043 (E_RNA) where: Base-Base interactions energy: -709.599 where: short stacking energy: -328.204 Base-Backbone interact. energy: 1.834 local terms energy: -403.998194 where: bonds (distance) C4'-P energy: -78.608 bonds (distance) P-C4' energy: -90.566 flat angles C4'-P-C4' energy: -87.167 flat angles P-C4'-P energy: -59.109 tors. eta vs tors. theta energy: -88.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -870.543451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.543451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.543451 (E_RNA) where: Base-Base interactions energy: -522.747 where: short stacking energy: -270.888 Base-Backbone interact. energy: 1.739 local terms energy: -349.535783 where: bonds (distance) C4'-P energy: -77.159 bonds (distance) P-C4' energy: -84.689 flat angles C4'-P-C4' energy: -90.983 flat angles P-C4'-P energy: -46.466 tors. eta vs tors. theta energy: -50.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -800.792158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.792158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.792158 (E_RNA) where: Base-Base interactions energy: -467.954 where: short stacking energy: -214.669 Base-Backbone interact. energy: -1.870 local terms energy: -330.968139 where: bonds (distance) C4'-P energy: -81.667 bonds (distance) P-C4' energy: -92.527 flat angles C4'-P-C4' energy: -78.992 flat angles P-C4'-P energy: -41.564 tors. eta vs tors. theta energy: -36.219 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: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -641.614581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.614581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.614581 (E_RNA) where: Base-Base interactions energy: -349.526 where: short stacking energy: -181.837 Base-Backbone interact. energy: -0.255 local terms energy: -291.833913 where: bonds (distance) C4'-P energy: -76.070 bonds (distance) P-C4' energy: -71.313 flat angles C4'-P-C4' energy: -66.452 flat angles P-C4'-P energy: -59.267 tors. eta vs tors. theta energy: -18.732 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: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -420.079638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.079638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.079638 (E_RNA) where: Base-Base interactions energy: -153.789 where: short stacking energy: -122.698 Base-Backbone interact. energy: 4.871 local terms energy: -271.162184 where: bonds (distance) C4'-P energy: -79.820 bonds (distance) P-C4' energy: -87.025 flat angles C4'-P-C4' energy: -63.969 flat angles P-C4'-P energy: -46.795 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: 1 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -369.556932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.556932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.556932 (E_RNA) where: Base-Base interactions energy: -130.273 where: short stacking energy: -114.075 Base-Backbone interact. energy: -1.366 local terms energy: -237.917688 where: bonds (distance) C4'-P energy: -75.617 bonds (distance) P-C4' energy: -83.305 flat angles C4'-P-C4' energy: -54.358 flat angles P-C4'-P energy: -38.354 tors. eta vs tors. theta energy: 13.716 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: 8 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1500.386532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.386532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.386532 (E_RNA) where: Base-Base interactions energy: -992.928 where: short stacking energy: -435.072 Base-Backbone interact. energy: 2.176 local terms energy: -509.634209 where: bonds (distance) C4'-P energy: -92.634 bonds (distance) P-C4' energy: -105.360 flat angles C4'-P-C4' energy: -109.510 flat angles P-C4'-P energy: -68.842 tors. eta vs tors. theta energy: -133.288 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: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1417.451411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.451411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.451411 (E_RNA) where: Base-Base interactions energy: -928.043 where: short stacking energy: -438.526 Base-Backbone interact. energy: -0.809 local terms energy: -488.599302 where: bonds (distance) C4'-P energy: -88.125 bonds (distance) P-C4' energy: -96.148 flat angles C4'-P-C4' energy: -101.196 flat angles P-C4'-P energy: -63.956 tors. eta vs tors. theta energy: -139.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1314.859700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.859700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.859700 (E_RNA) where: Base-Base interactions energy: -848.175 where: short stacking energy: -391.480 Base-Backbone interact. energy: 0.388 local terms energy: -467.072286 where: bonds (distance) C4'-P energy: -88.240 bonds (distance) P-C4' energy: -90.586 flat angles C4'-P-C4' energy: -106.307 flat angles P-C4'-P energy: -68.975 tors. eta vs tors. theta energy: -112.964 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: 4, replica: 6 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1229.942666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.942666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.942666 (E_RNA) where: Base-Base interactions energy: -811.549 where: short stacking energy: -368.266 Base-Backbone interact. energy: -1.745 local terms energy: -416.648601 where: bonds (distance) C4'-P energy: -85.465 bonds (distance) P-C4' energy: -88.007 flat angles C4'-P-C4' energy: -90.779 flat angles P-C4'-P energy: -53.607 tors. eta vs tors. theta energy: -98.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1144.883699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.883699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.883699 (E_RNA) where: Base-Base interactions energy: -720.859 where: short stacking energy: -356.738 Base-Backbone interact. energy: 0.068 local terms energy: -424.092672 where: bonds (distance) C4'-P energy: -80.160 bonds (distance) P-C4' energy: -93.855 flat angles C4'-P-C4' energy: -94.310 flat angles P-C4'-P energy: -58.300 tors. eta vs tors. theta energy: -97.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -792.821175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.821175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.821175 (E_RNA) where: Base-Base interactions energy: -431.727 where: short stacking energy: -233.128 Base-Backbone interact. energy: -2.537 local terms energy: -358.556491 where: bonds (distance) C4'-P energy: -79.770 bonds (distance) P-C4' energy: -87.827 flat angles C4'-P-C4' energy: -94.312 flat angles P-C4'-P energy: -51.625 tors. eta vs tors. theta energy: -45.022 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: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -829.166935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.166935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.166935 (E_RNA) where: Base-Base interactions energy: -493.589 where: short stacking energy: -255.215 Base-Backbone interact. energy: -0.039 local terms energy: -335.538671 where: bonds (distance) C4'-P energy: -75.052 bonds (distance) P-C4' energy: -87.097 flat angles C4'-P-C4' energy: -81.512 flat angles P-C4'-P energy: -56.705 tors. eta vs tors. theta energy: -35.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -696.439896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.439896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.439896 (E_RNA) where: Base-Base interactions energy: -396.481 where: short stacking energy: -198.115 Base-Backbone interact. energy: 1.853 local terms energy: -301.811581 where: bonds (distance) C4'-P energy: -80.033 bonds (distance) P-C4' energy: -75.645 flat angles C4'-P-C4' energy: -78.018 flat angles P-C4'-P energy: -53.024 tors. eta vs tors. theta energy: -15.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -400.716052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.716052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.716052 (E_RNA) where: Base-Base interactions energy: -154.397 where: short stacking energy: -134.702 Base-Backbone interact. energy: 2.461 local terms energy: -248.779367 where: bonds (distance) C4'-P energy: -81.558 bonds (distance) P-C4' energy: -62.283 flat angles C4'-P-C4' energy: -57.520 flat angles P-C4'-P energy: -43.649 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -365.288745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.288745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.288745 (E_RNA) where: Base-Base interactions energy: -107.156 where: short stacking energy: -99.350 Base-Backbone interact. energy: 0.464 local terms energy: -258.596136 where: bonds (distance) C4'-P energy: -76.912 bonds (distance) P-C4' energy: -92.186 flat angles C4'-P-C4' energy: -56.232 flat angles P-C4'-P energy: -50.477 tors. eta vs tors. theta energy: 17.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1481.664170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.664170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.664170 (E_RNA) where: Base-Base interactions energy: -980.705 where: short stacking energy: -445.480 Base-Backbone interact. energy: 2.153 local terms energy: -503.112544 where: bonds (distance) C4'-P energy: -99.901 bonds (distance) P-C4' energy: -96.226 flat angles C4'-P-C4' energy: -112.685 flat angles P-C4'-P energy: -65.622 tors. eta vs tors. theta energy: -128.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1430.683808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.683808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.683808 (E_RNA) where: Base-Base interactions energy: -937.726 where: short stacking energy: -446.318 Base-Backbone interact. energy: -2.504 local terms energy: -490.453172 where: bonds (distance) C4'-P energy: -83.083 bonds (distance) P-C4' energy: -106.593 flat angles C4'-P-C4' energy: -105.876 flat angles P-C4'-P energy: -60.910 tors. eta vs tors. theta energy: -133.992 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: 6 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1271.607750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.607750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.607750 (E_RNA) where: Base-Base interactions energy: -830.693 where: short stacking energy: -366.777 Base-Backbone interact. energy: 0.234 local terms energy: -441.149078 where: bonds (distance) C4'-P energy: -88.908 bonds (distance) P-C4' energy: -93.546 flat angles C4'-P-C4' energy: -96.115 flat angles P-C4'-P energy: -66.153 tors. eta vs tors. theta energy: -96.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1225.921206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.921206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.921206 (E_RNA) where: Base-Base interactions energy: -796.855 where: short stacking energy: -374.560 Base-Backbone interact. energy: -2.676 local terms energy: -426.390855 where: bonds (distance) C4'-P energy: -71.316 bonds (distance) P-C4' energy: -90.531 flat angles C4'-P-C4' energy: -97.045 flat angles P-C4'-P energy: -60.384 tors. eta vs tors. theta energy: -107.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1150.641727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.641727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.641727 (E_RNA) where: Base-Base interactions energy: -723.599 where: short stacking energy: -354.634 Base-Backbone interact. energy: -1.913 local terms energy: -425.129779 where: bonds (distance) C4'-P energy: -82.512 bonds (distance) P-C4' energy: -81.945 flat angles C4'-P-C4' energy: -89.345 flat angles P-C4'-P energy: -62.988 tors. eta vs tors. theta energy: -108.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -879.853030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.853030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.853030 (E_RNA) where: Base-Base interactions energy: -520.375 where: short stacking energy: -284.568 Base-Backbone interact. energy: 2.026 local terms energy: -361.503753 where: bonds (distance) C4'-P energy: -94.205 bonds (distance) P-C4' energy: -68.927 flat angles C4'-P-C4' energy: -91.622 flat angles P-C4'-P energy: -59.254 tors. eta vs tors. theta energy: -47.495 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: 7 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -786.162736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.162736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.162736 (E_RNA) where: Base-Base interactions energy: -454.867 where: short stacking energy: -238.475 Base-Backbone interact. energy: 1.260 local terms energy: -332.556414 where: bonds (distance) C4'-P energy: -79.508 bonds (distance) P-C4' energy: -84.645 flat angles C4'-P-C4' energy: -76.171 flat angles P-C4'-P energy: -50.445 tors. eta vs tors. theta energy: -41.787 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: 202 Temperature: 1.250000 Total energy: -743.796707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.796707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.796707 (E_RNA) where: Base-Base interactions energy: -421.432 where: short stacking energy: -197.756 Base-Backbone interact. energy: 0.186 local terms energy: -322.550846 where: bonds (distance) C4'-P energy: -93.926 bonds (distance) P-C4' energy: -84.978 flat angles C4'-P-C4' energy: -55.261 flat angles P-C4'-P energy: -50.327 tors. eta vs tors. theta energy: -38.058 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: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -401.953358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.953358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.953358 (E_RNA) where: Base-Base interactions energy: -129.919 where: short stacking energy: -115.436 Base-Backbone interact. energy: 0.289 local terms energy: -272.323010 where: bonds (distance) C4'-P energy: -86.639 bonds (distance) P-C4' energy: -80.175 flat angles C4'-P-C4' energy: -69.585 flat angles P-C4'-P energy: -47.697 tors. eta vs tors. theta energy: 11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -378.646257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.646257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.646257 (E_RNA) where: Base-Base interactions energy: -141.629 where: short stacking energy: -129.988 Base-Backbone interact. energy: -0.095 local terms energy: -236.922288 where: bonds (distance) C4'-P energy: -68.151 bonds (distance) P-C4' energy: -67.610 flat angles C4'-P-C4' energy: -66.615 flat angles P-C4'-P energy: -37.090 tors. eta vs tors. theta energy: 2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1466.748912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.748912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.748912 (E_RNA) where: Base-Base interactions energy: -988.744 where: short stacking energy: -425.938 Base-Backbone interact. energy: -2.704 local terms energy: -475.300913 where: bonds (distance) C4'-P energy: -96.444 bonds (distance) P-C4' energy: -83.610 flat angles C4'-P-C4' energy: -102.289 flat angles P-C4'-P energy: -59.374 tors. eta vs tors. theta energy: -133.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1456.832240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.832240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.832240 (E_RNA) where: Base-Base interactions energy: -959.056 where: short stacking energy: -465.589 Base-Backbone interact. energy: -0.325 local terms energy: -497.451440 where: bonds (distance) C4'-P energy: -90.030 bonds (distance) P-C4' energy: -97.923 flat angles C4'-P-C4' energy: -107.965 flat angles P-C4'-P energy: -63.451 tors. eta vs tors. theta energy: -138.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1306.090343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.090343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.090343 (E_RNA) where: Base-Base interactions energy: -864.564 where: short stacking energy: -389.917 Base-Backbone interact. energy: -0.277 local terms energy: -441.249441 where: bonds (distance) C4'-P energy: -76.338 bonds (distance) P-C4' energy: -100.788 flat angles C4'-P-C4' energy: -99.089 flat angles P-C4'-P energy: -60.385 tors. eta vs tors. theta energy: -104.649 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: 203 Temperature: 1.050000 Total energy: -1229.539309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.539309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.539309 (E_RNA) where: Base-Base interactions energy: -795.473 where: short stacking energy: -367.206 Base-Backbone interact. energy: 1.586 local terms energy: -435.652442 where: bonds (distance) C4'-P energy: -78.966 bonds (distance) P-C4' energy: -88.490 flat angles C4'-P-C4' energy: -101.389 flat angles P-C4'-P energy: -65.663 tors. eta vs tors. theta energy: -101.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1129.009152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.009152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.009152 (E_RNA) where: Base-Base interactions energy: -714.015 where: short stacking energy: -321.715 Base-Backbone interact. energy: -2.435 local terms energy: -412.559091 where: bonds (distance) C4'-P energy: -83.420 bonds (distance) P-C4' energy: -91.543 flat angles C4'-P-C4' energy: -99.049 flat angles P-C4'-P energy: -58.868 tors. eta vs tors. theta energy: -79.678 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: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -862.945925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.945925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.945925 (E_RNA) where: Base-Base interactions energy: -517.399 where: short stacking energy: -224.723 Base-Backbone interact. energy: -3.618 local terms energy: -341.928942 where: bonds (distance) C4'-P energy: -83.263 bonds (distance) P-C4' energy: -83.784 flat angles C4'-P-C4' energy: -78.137 flat angles P-C4'-P energy: -54.621 tors. eta vs tors. theta energy: -42.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -784.250847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.250847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.250847 (E_RNA) where: Base-Base interactions energy: -449.919 where: short stacking energy: -250.136 Base-Backbone interact. energy: -2.162 local terms energy: -332.169878 where: bonds (distance) C4'-P energy: -79.885 bonds (distance) P-C4' energy: -88.802 flat angles C4'-P-C4' energy: -78.016 flat angles P-C4'-P energy: -52.642 tors. eta vs tors. theta energy: -32.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -690.716435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.716435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.716435 (E_RNA) where: Base-Base interactions energy: -376.535 where: short stacking energy: -187.850 Base-Backbone interact. energy: 1.473 local terms energy: -315.654200 where: bonds (distance) C4'-P energy: -99.355 bonds (distance) P-C4' energy: -75.442 flat angles C4'-P-C4' energy: -84.652 flat angles P-C4'-P energy: -38.116 tors. eta vs tors. theta energy: -18.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -398.965187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.965187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.965187 (E_RNA) where: Base-Base interactions energy: -145.161 where: short stacking energy: -127.424 Base-Backbone interact. energy: -0.550 local terms energy: -253.254519 where: bonds (distance) C4'-P energy: -84.972 bonds (distance) P-C4' energy: -70.380 flat angles C4'-P-C4' energy: -59.686 flat angles P-C4'-P energy: -40.959 tors. eta vs tors. theta energy: 2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -367.821473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.821473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.821473 (E_RNA) where: Base-Base interactions energy: -105.210 where: short stacking energy: -98.435 Base-Backbone interact. energy: -1.212 local terms energy: -261.399888 where: bonds (distance) C4'-P energy: -79.539 bonds (distance) P-C4' energy: -86.732 flat angles C4'-P-C4' energy: -56.190 flat angles P-C4'-P energy: -39.529 tors. eta vs tors. theta energy: 0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1508.928792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.928792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.928792 (E_RNA) where: Base-Base interactions energy: -1024.962 where: short stacking energy: -435.263 Base-Backbone interact. energy: -4.091 local terms energy: -479.875721 where: bonds (distance) C4'-P energy: -91.431 bonds (distance) P-C4' energy: -85.387 flat angles C4'-P-C4' energy: -106.562 flat angles P-C4'-P energy: -66.682 tors. eta vs tors. theta energy: -129.814 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: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1474.205993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.205993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.205993 (E_RNA) where: Base-Base interactions energy: -981.945 where: short stacking energy: -460.694 Base-Backbone interact. energy: 1.397 local terms energy: -493.658017 where: bonds (distance) C4'-P energy: -85.412 bonds (distance) P-C4' energy: -100.786 flat angles C4'-P-C4' energy: -100.864 flat angles P-C4'-P energy: -68.843 tors. eta vs tors. theta energy: -137.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1294.496635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.496635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.496635 (E_RNA) where: Base-Base interactions energy: -849.093 where: short stacking energy: -386.857 Base-Backbone interact. energy: -1.154 local terms energy: -444.249682 where: bonds (distance) C4'-P energy: -93.392 bonds (distance) P-C4' energy: -91.312 flat angles C4'-P-C4' energy: -85.786 flat angles P-C4'-P energy: -70.852 tors. eta vs tors. theta energy: -102.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1237.582895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.582895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.582895 (E_RNA) where: Base-Base interactions energy: -797.097 where: short stacking energy: -366.234 Base-Backbone interact. energy: -1.454 local terms energy: -439.032219 where: bonds (distance) C4'-P energy: -90.615 bonds (distance) P-C4' energy: -82.677 flat angles C4'-P-C4' energy: -100.788 flat angles P-C4'-P energy: -65.715 tors. eta vs tors. theta energy: -99.237 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: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1138.875998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.875998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.875998 (E_RNA) where: Base-Base interactions energy: -721.114 where: short stacking energy: -347.792 Base-Backbone interact. energy: 0.265 local terms energy: -418.026652 where: bonds (distance) C4'-P energy: -78.801 bonds (distance) P-C4' energy: -95.088 flat angles C4'-P-C4' energy: -97.566 flat angles P-C4'-P energy: -59.280 tors. eta vs tors. theta energy: -87.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -850.327849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.327849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.327849 (E_RNA) where: Base-Base interactions energy: -489.258 where: short stacking energy: -251.268 Base-Backbone interact. energy: -3.239 local terms energy: -357.831616 where: bonds (distance) C4'-P energy: -80.348 bonds (distance) P-C4' energy: -91.457 flat angles C4'-P-C4' energy: -80.502 flat angles P-C4'-P energy: -52.120 tors. eta vs tors. theta energy: -53.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -754.299978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.299978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.299978 (E_RNA) where: Base-Base interactions energy: -426.766 where: short stacking energy: -230.179 Base-Backbone interact. energy: 0.138 local terms energy: -327.672478 where: bonds (distance) C4'-P energy: -80.412 bonds (distance) P-C4' energy: -82.753 flat angles C4'-P-C4' energy: -69.107 flat angles P-C4'-P energy: -58.768 tors. eta vs tors. theta energy: -36.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -679.787787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.787787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.787787 (E_RNA) where: Base-Base interactions energy: -364.400 where: short stacking energy: -185.893 Base-Backbone interact. energy: -1.821 local terms energy: -313.567200 where: bonds (distance) C4'-P energy: -89.787 bonds (distance) P-C4' energy: -89.336 flat angles C4'-P-C4' energy: -69.972 flat angles P-C4'-P energy: -34.208 tors. eta vs tors. theta energy: -30.265 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: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -409.948938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.948938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.948938 (E_RNA) where: Base-Base interactions energy: -133.712 where: short stacking energy: -116.545 Base-Backbone interact. energy: 3.228 local terms energy: -279.464920 where: bonds (distance) C4'-P energy: -76.156 bonds (distance) P-C4' energy: -89.338 flat angles C4'-P-C4' energy: -71.192 flat angles P-C4'-P energy: -42.192 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: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -381.549749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.549749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.549749 (E_RNA) where: Base-Base interactions energy: -158.144 where: short stacking energy: -123.065 Base-Backbone interact. energy: -1.361 local terms energy: -222.045349 where: bonds (distance) C4'-P energy: -62.205 bonds (distance) P-C4' energy: -74.247 flat angles C4'-P-C4' energy: -60.980 flat angles P-C4'-P energy: -38.275 tors. eta vs tors. theta energy: 13.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1494.512497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.512497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.512497 (E_RNA) where: Base-Base interactions energy: -1017.005 where: short stacking energy: -414.082 Base-Backbone interact. energy: -1.408 local terms energy: -476.099103 where: bonds (distance) C4'-P energy: -105.246 bonds (distance) P-C4' energy: -82.866 flat angles C4'-P-C4' energy: -105.373 flat angles P-C4'-P energy: -63.318 tors. eta vs tors. theta energy: -119.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1479.145898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.145898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.145898 (E_RNA) where: Base-Base interactions energy: -982.148 where: short stacking energy: -462.984 Base-Backbone interact. energy: -1.833 local terms energy: -495.165158 where: bonds (distance) C4'-P energy: -85.285 bonds (distance) P-C4' energy: -90.690 flat angles C4'-P-C4' energy: -114.033 flat angles P-C4'-P energy: -61.965 tors. eta vs tors. theta energy: -143.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1305.668452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.668452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.668452 (E_RNA) where: Base-Base interactions energy: -845.842 where: short stacking energy: -359.318 Base-Backbone interact. energy: -2.703 local terms energy: -457.123521 where: bonds (distance) C4'-P energy: -99.957 bonds (distance) P-C4' energy: -99.684 flat angles C4'-P-C4' energy: -98.834 flat angles P-C4'-P energy: -56.386 tors. eta vs tors. theta energy: -102.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1228.985775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.985775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.985775 (E_RNA) where: Base-Base interactions energy: -797.801 where: short stacking energy: -350.151 Base-Backbone interact. energy: -1.415 local terms energy: -429.769336 where: bonds (distance) C4'-P energy: -81.029 bonds (distance) P-C4' energy: -88.834 flat angles C4'-P-C4' energy: -94.679 flat angles P-C4'-P energy: -75.182 tors. eta vs tors. theta energy: -90.045 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: 5, replica: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1067.706734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.706734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.706734 (E_RNA) where: Base-Base interactions energy: -682.874 where: short stacking energy: -324.402 Base-Backbone interact. energy: 2.920 local terms energy: -387.752905 where: bonds (distance) C4'-P energy: -86.346 bonds (distance) P-C4' energy: -81.362 flat angles C4'-P-C4' energy: -92.634 flat angles P-C4'-P energy: -45.767 tors. eta vs tors. theta energy: -81.643 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: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -920.748730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.748730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.748730 (E_RNA) where: Base-Base interactions energy: -540.999 where: short stacking energy: -288.073 Base-Backbone interact. energy: -1.058 local terms energy: -378.692149 where: bonds (distance) C4'-P energy: -80.116 bonds (distance) P-C4' energy: -95.616 flat angles C4'-P-C4' energy: -89.002 flat angles P-C4'-P energy: -51.511 tors. eta vs tors. theta energy: -62.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -816.353633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.353633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.353633 (E_RNA) where: Base-Base interactions energy: -484.067 where: short stacking energy: -241.295 Base-Backbone interact. energy: -1.337 local terms energy: -330.950107 where: bonds (distance) C4'-P energy: -89.584 bonds (distance) P-C4' energy: -88.037 flat angles C4'-P-C4' energy: -68.678 flat angles P-C4'-P energy: -52.938 tors. eta vs tors. theta energy: -31.714 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: 5 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -720.382741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.382741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.382741 (E_RNA) where: Base-Base interactions energy: -390.595 where: short stacking energy: -212.884 Base-Backbone interact. energy: 3.864 local terms energy: -333.652011 where: bonds (distance) C4'-P energy: -81.561 bonds (distance) P-C4' energy: -87.785 flat angles C4'-P-C4' energy: -90.635 flat angles P-C4'-P energy: -45.467 tors. eta vs tors. theta energy: -28.204 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: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -411.621214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.621214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.621214 (E_RNA) where: Base-Base interactions energy: -153.270 where: short stacking energy: -141.995 Base-Backbone interact. energy: -0.648 local terms energy: -257.703748 where: bonds (distance) C4'-P energy: -70.954 bonds (distance) P-C4' energy: -84.390 flat angles C4'-P-C4' energy: -59.179 flat angles P-C4'-P energy: -42.632 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -376.413188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.413188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.413188 (E_RNA) where: Base-Base interactions energy: -152.307 where: short stacking energy: -94.292 Base-Backbone interact. energy: -1.664 local terms energy: -222.441566 where: bonds (distance) C4'-P energy: -69.643 bonds (distance) P-C4' energy: -82.876 flat angles C4'-P-C4' energy: -58.576 flat angles P-C4'-P energy: -27.882 tors. eta vs tors. theta energy: 16.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1504.198427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.198427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.198427 (E_RNA) where: Base-Base interactions energy: -1036.612 where: short stacking energy: -444.877 Base-Backbone interact. energy: 4.056 local terms energy: -471.642816 where: bonds (distance) C4'-P energy: -94.392 bonds (distance) P-C4' energy: -87.120 flat angles C4'-P-C4' energy: -105.374 flat angles P-C4'-P energy: -59.194 tors. eta vs tors. theta energy: -125.563 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: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1481.808768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.808768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.808768 (E_RNA) where: Base-Base interactions energy: -972.571 where: short stacking energy: -467.467 Base-Backbone interact. energy: -2.559 local terms energy: -506.678664 where: bonds (distance) C4'-P energy: -91.849 bonds (distance) P-C4' energy: -100.061 flat angles C4'-P-C4' energy: -99.087 flat angles P-C4'-P energy: -71.330 tors. eta vs tors. theta energy: -144.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1298.995019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.995019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.995019 (E_RNA) where: Base-Base interactions energy: -855.381 where: short stacking energy: -375.459 Base-Backbone interact. energy: -3.158 local terms energy: -440.456156 where: bonds (distance) C4'-P energy: -93.248 bonds (distance) P-C4' energy: -88.716 flat angles C4'-P-C4' energy: -99.165 flat angles P-C4'-P energy: -67.793 tors. eta vs tors. theta energy: -91.535 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: 2 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1181.890837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.890837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.890837 (E_RNA) where: Base-Base interactions energy: -781.992 where: short stacking energy: -357.969 Base-Backbone interact. energy: -0.688 local terms energy: -399.211579 where: bonds (distance) C4'-P energy: -75.649 bonds (distance) P-C4' energy: -82.182 flat angles C4'-P-C4' energy: -100.562 flat angles P-C4'-P energy: -56.826 tors. eta vs tors. theta energy: -83.993 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: 10 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1064.804115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.804115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.804115 (E_RNA) where: Base-Base interactions energy: -674.249 where: short stacking energy: -308.631 Base-Backbone interact. energy: -3.979 local terms energy: -386.576635 where: bonds (distance) C4'-P energy: -99.456 bonds (distance) P-C4' energy: -77.333 flat angles C4'-P-C4' energy: -79.612 flat angles P-C4'-P energy: -51.942 tors. eta vs tors. theta energy: -78.234 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: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -961.757035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.757035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.757035 (E_RNA) where: Base-Base interactions energy: -603.369 where: short stacking energy: -307.083 Base-Backbone interact. energy: -1.097 local terms energy: -357.291536 where: bonds (distance) C4'-P energy: -85.346 bonds (distance) P-C4' energy: -83.316 flat angles C4'-P-C4' energy: -69.919 flat angles P-C4'-P energy: -52.380 tors. eta vs tors. theta energy: -66.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -803.096274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.096274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.096274 (E_RNA) where: Base-Base interactions energy: -465.275 where: short stacking energy: -229.633 Base-Backbone interact. energy: -1.060 local terms energy: -336.761729 where: bonds (distance) C4'-P energy: -83.117 bonds (distance) P-C4' energy: -80.219 flat angles C4'-P-C4' energy: -76.758 flat angles P-C4'-P energy: -48.625 tors. eta vs tors. theta energy: -48.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -735.706258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.706258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.706258 (E_RNA) where: Base-Base interactions energy: -432.365 where: short stacking energy: -205.758 Base-Backbone interact. energy: 1.083 local terms energy: -304.425074 where: bonds (distance) C4'-P energy: -67.275 bonds (distance) P-C4' energy: -88.670 flat angles C4'-P-C4' energy: -71.533 flat angles P-C4'-P energy: -47.920 tors. eta vs tors. theta energy: -29.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -416.173542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.173542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.173542 (E_RNA) where: Base-Base interactions energy: -146.479 where: short stacking energy: -120.333 Base-Backbone interact. energy: 1.421 local terms energy: -271.115662 where: bonds (distance) C4'-P energy: -78.330 bonds (distance) P-C4' energy: -85.655 flat angles C4'-P-C4' energy: -74.582 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: 14.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -385.665587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.665587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.665587 (E_RNA) where: Base-Base interactions energy: -125.737 where: short stacking energy: -108.189 Base-Backbone interact. energy: -3.325 local terms energy: -256.603954 where: bonds (distance) C4'-P energy: -69.107 bonds (distance) P-C4' energy: -83.589 flat angles C4'-P-C4' energy: -71.980 flat angles P-C4'-P energy: -42.218 tors. eta vs tors. theta energy: 10.290 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: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1502.900576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.900576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.900576 (E_RNA) where: Base-Base interactions energy: -994.479 where: short stacking energy: -455.468 Base-Backbone interact. energy: -3.375 local terms energy: -505.046190 where: bonds (distance) C4'-P energy: -95.970 bonds (distance) P-C4' energy: -94.703 flat angles C4'-P-C4' energy: -116.407 flat angles P-C4'-P energy: -65.338 tors. eta vs tors. theta energy: -132.629 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: 2, replica: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1457.848203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.848203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.848203 (E_RNA) where: Base-Base interactions energy: -988.516 where: short stacking energy: -458.399 Base-Backbone interact. energy: -2.122 local terms energy: -467.210109 where: bonds (distance) C4'-P energy: -81.197 bonds (distance) P-C4' energy: -86.132 flat angles C4'-P-C4' energy: -95.134 flat angles P-C4'-P energy: -66.093 tors. eta vs tors. theta energy: -138.655 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: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1317.991511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.991511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.991511 (E_RNA) where: Base-Base interactions energy: -888.683 where: short stacking energy: -416.171 Base-Backbone interact. energy: -1.813 local terms energy: -427.494995 where: bonds (distance) C4'-P energy: -73.120 bonds (distance) P-C4' energy: -93.152 flat angles C4'-P-C4' energy: -99.217 flat angles P-C4'-P energy: -52.352 tors. eta vs tors. theta energy: -109.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1168.820519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.820519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.820519 (E_RNA) where: Base-Base interactions energy: -751.237 where: short stacking energy: -338.404 Base-Backbone interact. energy: 0.024 local terms energy: -417.607081 where: bonds (distance) C4'-P energy: -88.655 bonds (distance) P-C4' energy: -105.964 flat angles C4'-P-C4' energy: -93.717 flat angles P-C4'-P energy: -52.194 tors. eta vs tors. theta energy: -77.077 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: 10 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1089.969072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.969072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.969072 (E_RNA) where: Base-Base interactions energy: -704.481 where: short stacking energy: -326.380 Base-Backbone interact. energy: 2.011 local terms energy: -387.499308 where: bonds (distance) C4'-P energy: -78.842 bonds (distance) P-C4' energy: -84.597 flat angles C4'-P-C4' energy: -81.646 flat angles P-C4'-P energy: -61.778 tors. eta vs tors. theta energy: -80.636 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: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -991.139728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.139728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.139728 (E_RNA) where: Base-Base interactions energy: -620.488 where: short stacking energy: -296.061 Base-Backbone interact. energy: 3.109 local terms energy: -373.760405 where: bonds (distance) C4'-P energy: -88.068 bonds (distance) P-C4' energy: -78.802 flat angles C4'-P-C4' energy: -86.582 flat angles P-C4'-P energy: -45.543 tors. eta vs tors. theta energy: -74.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -770.125121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.125121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.125121 (E_RNA) where: Base-Base interactions energy: -465.049 where: short stacking energy: -225.627 Base-Backbone interact. energy: -4.290 local terms energy: -300.785888 where: bonds (distance) C4'-P energy: -80.811 bonds (distance) P-C4' energy: -79.934 flat angles C4'-P-C4' energy: -75.339 flat angles P-C4'-P energy: -39.071 tors. eta vs tors. theta energy: -25.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -742.665713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.665713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.665713 (E_RNA) where: Base-Base interactions energy: -428.056 where: short stacking energy: -201.077 Base-Backbone interact. energy: -1.153 local terms energy: -313.457022 where: bonds (distance) C4'-P energy: -75.729 bonds (distance) P-C4' energy: -80.511 flat angles C4'-P-C4' energy: -83.282 flat angles P-C4'-P energy: -51.167 tors. eta vs tors. theta energy: -22.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -397.429460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.429460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.429460 (E_RNA) where: Base-Base interactions energy: -114.264 where: short stacking energy: -101.047 Base-Backbone interact. energy: 1.369 local terms energy: -284.534107 where: bonds (distance) C4'-P energy: -89.746 bonds (distance) P-C4' energy: -73.449 flat angles C4'-P-C4' energy: -86.160 flat angles P-C4'-P energy: -50.473 tors. eta vs tors. theta energy: 15.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -366.733941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.733941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.733941 (E_RNA) where: Base-Base interactions energy: -105.677 where: short stacking energy: -92.851 Base-Backbone interact. energy: 1.675 local terms energy: -262.731753 where: bonds (distance) C4'-P energy: -92.276 bonds (distance) P-C4' energy: -84.912 flat angles C4'-P-C4' energy: -59.235 flat angles P-C4'-P energy: -43.491 tors. eta vs tors. theta energy: 17.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1472.802541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.802541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.802541 (E_RNA) where: Base-Base interactions energy: -994.590 where: short stacking energy: -416.511 Base-Backbone interact. energy: -0.242 local terms energy: -477.970515 where: bonds (distance) C4'-P energy: -86.754 bonds (distance) P-C4' energy: -92.468 flat angles C4'-P-C4' energy: -103.830 flat angles P-C4'-P energy: -72.836 tors. eta vs tors. theta energy: -122.083 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: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1452.698292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.698292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.698292 (E_RNA) where: Base-Base interactions energy: -966.195 where: short stacking energy: -441.645 Base-Backbone interact. energy: -4.468 local terms energy: -482.035421 where: bonds (distance) C4'-P energy: -81.134 bonds (distance) P-C4' energy: -99.218 flat angles C4'-P-C4' energy: -111.210 flat angles P-C4'-P energy: -57.401 tors. eta vs tors. theta energy: -133.073 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: 3, replica: 6 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1344.273016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.273016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.273016 (E_RNA) where: Base-Base interactions energy: -891.469 where: short stacking energy: -408.081 Base-Backbone interact. energy: -1.960 local terms energy: -450.843884 where: bonds (distance) C4'-P energy: -90.213 bonds (distance) P-C4' energy: -85.631 flat angles C4'-P-C4' energy: -101.765 flat angles P-C4'-P energy: -67.478 tors. eta vs tors. theta energy: -105.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1234.464545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.464545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.464545 (E_RNA) where: Base-Base interactions energy: -795.118 where: short stacking energy: -373.769 Base-Backbone interact. energy: -1.456 local terms energy: -437.891072 where: bonds (distance) C4'-P energy: -82.226 bonds (distance) P-C4' energy: -92.536 flat angles C4'-P-C4' energy: -94.880 flat angles P-C4'-P energy: -57.199 tors. eta vs tors. theta energy: -111.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1162.315507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.315507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.315507 (E_RNA) where: Base-Base interactions energy: -789.760 where: short stacking energy: -335.237 Base-Backbone interact. energy: -0.302 local terms energy: -372.253621 where: bonds (distance) C4'-P energy: -68.169 bonds (distance) P-C4' energy: -90.688 flat angles C4'-P-C4' energy: -94.024 flat angles P-C4'-P energy: -44.997 tors. eta vs tors. theta energy: -74.376 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: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1020.839055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.839055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.839055 (E_RNA) where: Base-Base interactions energy: -641.305 where: short stacking energy: -311.743 Base-Backbone interact. energy: -0.682 local terms energy: -378.852732 where: bonds (distance) C4'-P energy: -78.324 bonds (distance) P-C4' energy: -76.185 flat angles C4'-P-C4' energy: -90.193 flat angles P-C4'-P energy: -47.168 tors. eta vs tors. theta energy: -86.982 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: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -744.989280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.989280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.989280 (E_RNA) where: Base-Base interactions energy: -417.245 where: short stacking energy: -207.715 Base-Backbone interact. energy: -0.784 local terms energy: -326.959738 where: bonds (distance) C4'-P energy: -85.726 bonds (distance) P-C4' energy: -93.791 flat angles C4'-P-C4' energy: -85.542 flat angles P-C4'-P energy: -36.630 tors. eta vs tors. theta energy: -25.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -713.987824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.987824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.987824 (E_RNA) where: Base-Base interactions energy: -434.069 where: short stacking energy: -220.920 Base-Backbone interact. energy: 0.961 local terms energy: -280.879872 where: bonds (distance) C4'-P energy: -66.508 bonds (distance) P-C4' energy: -79.051 flat angles C4'-P-C4' energy: -67.050 flat angles P-C4'-P energy: -43.018 tors. eta vs tors. theta energy: -25.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -414.085151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.085151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.085151 (E_RNA) where: Base-Base interactions energy: -143.012 where: short stacking energy: -121.775 Base-Backbone interact. energy: 1.177 local terms energy: -272.250123 where: bonds (distance) C4'-P energy: -76.798 bonds (distance) P-C4' energy: -80.728 flat angles C4'-P-C4' energy: -69.750 flat angles P-C4'-P energy: -43.714 tors. eta vs tors. theta energy: -1.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -369.463727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.463727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.463727 (E_RNA) where: Base-Base interactions energy: -111.725 where: short stacking energy: -104.182 Base-Backbone interact. energy: 2.516 local terms energy: -260.255618 where: bonds (distance) C4'-P energy: -80.572 bonds (distance) P-C4' energy: -76.801 flat angles C4'-P-C4' energy: -71.011 flat angles P-C4'-P energy: -40.287 tors. eta vs tors. theta energy: 8.415 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: 8 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1499.537935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.537935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.537935 (E_RNA) where: Base-Base interactions energy: -998.744 where: short stacking energy: -467.820 Base-Backbone interact. energy: -2.361 local terms energy: -498.432906 where: bonds (distance) C4'-P energy: -93.471 bonds (distance) P-C4' energy: -105.559 flat angles C4'-P-C4' energy: -95.248 flat angles P-C4'-P energy: -62.299 tors. eta vs tors. theta energy: -141.856 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: 4 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1424.566862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.566862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.566862 (E_RNA) where: Base-Base interactions energy: -914.353 where: short stacking energy: -434.815 Base-Backbone interact. energy: 0.016 local terms energy: -510.229197 where: bonds (distance) C4'-P energy: -89.783 bonds (distance) P-C4' energy: -98.818 flat angles C4'-P-C4' energy: -104.530 flat angles P-C4'-P energy: -77.144 tors. eta vs tors. theta energy: -139.955 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: 3, replica: 6 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1335.018791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.018791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.018791 (E_RNA) where: Base-Base interactions energy: -892.693 where: short stacking energy: -402.205 Base-Backbone interact. energy: -1.333 local terms energy: -440.993347 where: bonds (distance) C4'-P energy: -81.951 bonds (distance) P-C4' energy: -74.911 flat angles C4'-P-C4' energy: -98.989 flat angles P-C4'-P energy: -65.495 tors. eta vs tors. theta energy: -119.648 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: 10 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1153.233965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.233965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.233965 (E_RNA) where: Base-Base interactions energy: -734.911 where: short stacking energy: -317.861 Base-Backbone interact. energy: -2.831 local terms energy: -415.492527 where: bonds (distance) C4'-P energy: -82.187 bonds (distance) P-C4' energy: -92.068 flat angles C4'-P-C4' energy: -99.371 flat angles P-C4'-P energy: -70.539 tors. eta vs tors. theta energy: -71.328 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: 2 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1170.481167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.481167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.481167 (E_RNA) where: Base-Base interactions energy: -768.507 where: short stacking energy: -344.170 Base-Backbone interact. energy: -1.853 local terms energy: -400.120566 where: bonds (distance) C4'-P energy: -66.343 bonds (distance) P-C4' energy: -93.606 flat angles C4'-P-C4' energy: -92.682 flat angles P-C4'-P energy: -46.405 tors. eta vs tors. theta energy: -101.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1040.572383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.572383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.572383 (E_RNA) where: Base-Base interactions energy: -645.908 where: short stacking energy: -303.769 Base-Backbone interact. energy: -1.966 local terms energy: -392.698564 where: bonds (distance) C4'-P energy: -82.029 bonds (distance) P-C4' energy: -94.036 flat angles C4'-P-C4' energy: -90.061 flat angles P-C4'-P energy: -46.674 tors. eta vs tors. theta energy: -79.899 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: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -739.252619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.252619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.252619 (E_RNA) where: Base-Base interactions energy: -408.283 where: short stacking energy: -213.671 Base-Backbone interact. energy: -0.161 local terms energy: -330.808683 where: bonds (distance) C4'-P energy: -73.891 bonds (distance) P-C4' energy: -96.526 flat angles C4'-P-C4' energy: -82.093 flat angles P-C4'-P energy: -62.980 tors. eta vs tors. theta energy: -15.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -684.592467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.592467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.592467 (E_RNA) where: Base-Base interactions energy: -383.686 where: short stacking energy: -202.922 Base-Backbone interact. energy: -1.746 local terms energy: -299.160265 where: bonds (distance) C4'-P energy: -59.126 bonds (distance) P-C4' energy: -86.402 flat angles C4'-P-C4' energy: -75.280 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -28.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -417.332616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.332616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.332616 (E_RNA) where: Base-Base interactions energy: -151.722 where: short stacking energy: -125.725 Base-Backbone interact. energy: 3.507 local terms energy: -269.117340 where: bonds (distance) C4'-P energy: -75.369 bonds (distance) P-C4' energy: -79.115 flat angles C4'-P-C4' energy: -68.543 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: 1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -415.503547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.503547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.503547 (E_RNA) where: Base-Base interactions energy: -161.242 where: short stacking energy: -115.068 Base-Backbone interact. energy: 8.863 local terms energy: -263.124624 where: bonds (distance) C4'-P energy: -73.169 bonds (distance) P-C4' energy: -88.671 flat angles C4'-P-C4' energy: -66.395 flat angles P-C4'-P energy: -43.752 tors. eta vs tors. theta energy: 8.861 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: 8 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1513.800521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.800521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.800521 (E_RNA) where: Base-Base interactions energy: -997.368 where: short stacking energy: -456.768 Base-Backbone interact. energy: -3.033 local terms energy: -513.399952 where: bonds (distance) C4'-P energy: -91.474 bonds (distance) P-C4' energy: -102.394 flat angles C4'-P-C4' energy: -107.853 flat angles P-C4'-P energy: -73.444 tors. eta vs tors. theta energy: -138.235 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: 4 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1426.021938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.021938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.021938 (E_RNA) where: Base-Base interactions energy: -917.945 where: short stacking energy: -438.064 Base-Backbone interact. energy: 0.318 local terms energy: -508.394370 where: bonds (distance) C4'-P energy: -97.712 bonds (distance) P-C4' energy: -94.288 flat angles C4'-P-C4' energy: -117.575 flat angles P-C4'-P energy: -69.406 tors. eta vs tors. theta energy: -129.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1337.422506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.422506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.422506 (E_RNA) where: Base-Base interactions energy: -866.684 where: short stacking energy: -410.106 Base-Backbone interact. energy: 1.768 local terms energy: -472.505940 where: bonds (distance) C4'-P energy: -96.355 bonds (distance) P-C4' energy: -94.179 flat angles C4'-P-C4' energy: -115.665 flat angles P-C4'-P energy: -58.108 tors. eta vs tors. theta energy: -108.200 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: 4, replica: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1139.437372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.437372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.437372 (E_RNA) where: Base-Base interactions energy: -729.813 where: short stacking energy: -351.204 Base-Backbone interact. energy: -0.352 local terms energy: -409.273104 where: bonds (distance) C4'-P energy: -83.944 bonds (distance) P-C4' energy: -93.740 flat angles C4'-P-C4' energy: -83.458 flat angles P-C4'-P energy: -62.363 tors. eta vs tors. theta energy: -85.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1155.067747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.067747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.067747 (E_RNA) where: Base-Base interactions energy: -755.717 where: short stacking energy: -336.889 Base-Backbone interact. energy: 0.163 local terms energy: -399.513761 where: bonds (distance) C4'-P energy: -77.505 bonds (distance) P-C4' energy: -91.703 flat angles C4'-P-C4' energy: -96.212 flat angles P-C4'-P energy: -45.093 tors. eta vs tors. theta energy: -89.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1035.994962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.994962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.994962 (E_RNA) where: Base-Base interactions energy: -650.468 where: short stacking energy: -324.923 Base-Backbone interact. energy: -1.657 local terms energy: -383.869673 where: bonds (distance) C4'-P energy: -80.813 bonds (distance) P-C4' energy: -84.836 flat angles C4'-P-C4' energy: -87.981 flat angles P-C4'-P energy: -47.109 tors. eta vs tors. theta energy: -83.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -713.684901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.684901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.684901 (E_RNA) where: Base-Base interactions energy: -394.214 where: short stacking energy: -216.730 Base-Backbone interact. energy: -1.785 local terms energy: -317.686219 where: bonds (distance) C4'-P energy: -76.874 bonds (distance) P-C4' energy: -81.252 flat angles C4'-P-C4' energy: -84.669 flat angles P-C4'-P energy: -49.725 tors. eta vs tors. theta energy: -25.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -716.830444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.830444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.830444 (E_RNA) where: Base-Base interactions energy: -409.655 where: short stacking energy: -190.527 Base-Backbone interact. energy: -2.554 local terms energy: -304.621352 where: bonds (distance) C4'-P energy: -78.677 bonds (distance) P-C4' energy: -85.532 flat angles C4'-P-C4' energy: -67.442 flat angles P-C4'-P energy: -53.171 tors. eta vs tors. theta energy: -19.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -505.148334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.148334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.148334 (E_RNA) where: Base-Base interactions energy: -223.829 where: short stacking energy: -140.056 Base-Backbone interact. energy: 0.648 local terms energy: -281.966711 where: bonds (distance) C4'-P energy: -80.029 bonds (distance) P-C4' energy: -77.987 flat angles C4'-P-C4' energy: -62.324 flat angles P-C4'-P energy: -52.092 tors. eta vs tors. theta energy: -9.535 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: 10, replica: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -381.389599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.389599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.389599 (E_RNA) where: Base-Base interactions energy: -158.417 where: short stacking energy: -118.878 Base-Backbone interact. energy: 6.832 local terms energy: -229.804147 where: bonds (distance) C4'-P energy: -75.875 bonds (distance) P-C4' energy: -86.092 flat angles C4'-P-C4' energy: -57.903 flat angles P-C4'-P energy: -30.413 tors. eta vs tors. theta energy: 20.480 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: 8 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1540.628967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.628967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.628967 (E_RNA) where: Base-Base interactions energy: -1030.415 where: short stacking energy: -465.518 Base-Backbone interact. energy: 0.769 local terms energy: -510.982460 where: bonds (distance) C4'-P energy: -105.098 bonds (distance) P-C4' energy: -86.687 flat angles C4'-P-C4' energy: -114.554 flat angles P-C4'-P energy: -66.168 tors. eta vs tors. theta energy: -138.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1464.954724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.954724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.954724 (E_RNA) where: Base-Base interactions energy: -989.635 where: short stacking energy: -463.753 Base-Backbone interact. energy: -1.933 local terms energy: -473.385745 where: bonds (distance) C4'-P energy: -80.517 bonds (distance) P-C4' energy: -96.111 flat angles C4'-P-C4' energy: -95.604 flat angles P-C4'-P energy: -67.565 tors. eta vs tors. theta energy: -133.588 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: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1380.468790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.468790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.468790 (E_RNA) where: Base-Base interactions energy: -931.486 where: short stacking energy: -426.614 Base-Backbone interact. energy: -3.216 local terms energy: -445.766446 where: bonds (distance) C4'-P energy: -75.998 bonds (distance) P-C4' energy: -88.054 flat angles C4'-P-C4' energy: -89.381 flat angles P-C4'-P energy: -67.509 tors. eta vs tors. theta energy: -124.824 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: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1152.217751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.217751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.217751 (E_RNA) where: Base-Base interactions energy: -717.354 where: short stacking energy: -350.693 Base-Backbone interact. energy: -2.899 local terms energy: -431.964538 where: bonds (distance) C4'-P energy: -79.477 bonds (distance) P-C4' energy: -94.725 flat angles C4'-P-C4' energy: -106.474 flat angles P-C4'-P energy: -58.937 tors. eta vs tors. theta energy: -92.351 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: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1140.279754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.279754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.279754 (E_RNA) where: Base-Base interactions energy: -742.372 where: short stacking energy: -322.802 Base-Backbone interact. energy: -1.651 local terms energy: -396.257243 where: bonds (distance) C4'-P energy: -85.558 bonds (distance) P-C4' energy: -97.956 flat angles C4'-P-C4' energy: -83.821 flat angles P-C4'-P energy: -54.043 tors. eta vs tors. theta energy: -74.879 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: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1002.310120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.310120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.310120 (E_RNA) where: Base-Base interactions energy: -604.073 where: short stacking energy: -308.596 Base-Backbone interact. energy: -2.887 local terms energy: -395.349730 where: bonds (distance) C4'-P energy: -91.564 bonds (distance) P-C4' energy: -87.035 flat angles C4'-P-C4' energy: -91.578 flat angles P-C4'-P energy: -49.336 tors. eta vs tors. theta energy: -75.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -682.912335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.912335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.912335 (E_RNA) where: Base-Base interactions energy: -363.092 where: short stacking energy: -184.353 Base-Backbone interact. energy: 0.285 local terms energy: -320.105165 where: bonds (distance) C4'-P energy: -76.100 bonds (distance) P-C4' energy: -89.765 flat angles C4'-P-C4' energy: -86.453 flat angles P-C4'-P energy: -49.757 tors. eta vs tors. theta energy: -18.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -565.327300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.327300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.327300 (E_RNA) where: Base-Base interactions energy: -262.507 where: short stacking energy: -173.053 Base-Backbone interact. energy: 2.458 local terms energy: -305.278547 where: bonds (distance) C4'-P energy: -85.841 bonds (distance) P-C4' energy: -75.804 flat angles C4'-P-C4' energy: -74.360 flat angles P-C4'-P energy: -56.840 tors. eta vs tors. theta energy: -12.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -570.331642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.331642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.331642 (E_RNA) where: Base-Base interactions energy: -287.546 where: short stacking energy: -175.521 Base-Backbone interact. energy: -2.254 local terms energy: -280.531693 where: bonds (distance) C4'-P energy: -73.034 bonds (distance) P-C4' energy: -73.064 flat angles C4'-P-C4' energy: -77.611 flat angles P-C4'-P energy: -42.155 tors. eta vs tors. theta energy: -14.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -369.575987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.575987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.575987 (E_RNA) where: Base-Base interactions energy: -122.930 where: short stacking energy: -101.151 Base-Backbone interact. energy: 0.882 local terms energy: -247.528184 where: bonds (distance) C4'-P energy: -69.464 bonds (distance) P-C4' energy: -77.565 flat angles C4'-P-C4' energy: -67.179 flat angles P-C4'-P energy: -39.646 tors. eta vs tors. theta energy: 6.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1505.389459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.389459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.389459 (E_RNA) where: Base-Base interactions energy: -1004.392 where: short stacking energy: -438.372 Base-Backbone interact. energy: -1.705 local terms energy: -499.292381 where: bonds (distance) C4'-P energy: -88.762 bonds (distance) P-C4' energy: -100.864 flat angles C4'-P-C4' energy: -106.593 flat angles P-C4'-P energy: -63.812 tors. eta vs tors. theta energy: -139.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1488.256529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.256529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.256529 (E_RNA) where: Base-Base interactions energy: -986.053 where: short stacking energy: -452.875 Base-Backbone interact. energy: -3.230 local terms energy: -498.973875 where: bonds (distance) C4'-P energy: -103.046 bonds (distance) P-C4' energy: -87.630 flat angles C4'-P-C4' energy: -108.705 flat angles P-C4'-P energy: -67.489 tors. eta vs tors. theta energy: -132.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1313.662596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.662596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.662596 (E_RNA) where: Base-Base interactions energy: -862.991 where: short stacking energy: -378.247 Base-Backbone interact. energy: 4.928 local terms energy: -455.600529 where: bonds (distance) C4'-P energy: -86.433 bonds (distance) P-C4' energy: -97.031 flat angles C4'-P-C4' energy: -106.835 flat angles P-C4'-P energy: -60.043 tors. eta vs tors. theta energy: -105.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1132.044332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.044332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.044332 (E_RNA) where: Base-Base interactions energy: -709.355 where: short stacking energy: -324.597 Base-Backbone interact. energy: 2.506 local terms energy: -425.196065 where: bonds (distance) C4'-P energy: -79.220 bonds (distance) P-C4' energy: -104.188 flat angles C4'-P-C4' energy: -91.023 flat angles P-C4'-P energy: -58.896 tors. eta vs tors. theta energy: -91.870 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: 5, replica: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1149.458269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.458269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.458269 (E_RNA) where: Base-Base interactions energy: -722.007 where: short stacking energy: -340.994 Base-Backbone interact. energy: -1.749 local terms energy: -425.702336 where: bonds (distance) C4'-P energy: -83.882 bonds (distance) P-C4' energy: -98.858 flat angles C4'-P-C4' energy: -94.358 flat angles P-C4'-P energy: -62.662 tors. eta vs tors. theta energy: -85.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -992.349133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.349133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.349133 (E_RNA) where: Base-Base interactions energy: -624.129 where: short stacking energy: -293.637 Base-Backbone interact. energy: -2.290 local terms energy: -365.929607 where: bonds (distance) C4'-P energy: -75.025 bonds (distance) P-C4' energy: -74.056 flat angles C4'-P-C4' energy: -84.346 flat angles P-C4'-P energy: -57.951 tors. eta vs tors. theta energy: -74.550 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: 7 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -740.872151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.872151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.872151 (E_RNA) where: Base-Base interactions energy: -398.475 where: short stacking energy: -208.790 Base-Backbone interact. energy: 2.129 local terms energy: -344.525588 where: bonds (distance) C4'-P energy: -86.245 bonds (distance) P-C4' energy: -95.200 flat angles C4'-P-C4' energy: -95.840 flat angles P-C4'-P energy: -47.806 tors. eta vs tors. theta energy: -19.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -572.060296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.060296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.060296 (E_RNA) where: Base-Base interactions energy: -290.432 where: short stacking energy: -189.032 Base-Backbone interact. energy: -1.223 local terms energy: -280.405010 where: bonds (distance) C4'-P energy: -53.296 bonds (distance) P-C4' energy: -84.305 flat angles C4'-P-C4' energy: -91.860 flat angles P-C4'-P energy: -38.972 tors. eta vs tors. theta energy: -11.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -540.259137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.259137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.259137 (E_RNA) where: Base-Base interactions energy: -241.990 where: short stacking energy: -129.523 Base-Backbone interact. energy: 2.991 local terms energy: -301.259796 where: bonds (distance) C4'-P energy: -95.110 bonds (distance) P-C4' energy: -86.656 flat angles C4'-P-C4' energy: -81.486 flat angles P-C4'-P energy: -47.658 tors. eta vs tors. theta energy: 9.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -401.542048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.542048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.542048 (E_RNA) where: Base-Base interactions energy: -134.822 where: short stacking energy: -122.154 Base-Backbone interact. energy: 0.592 local terms energy: -267.311763 where: bonds (distance) C4'-P energy: -69.116 bonds (distance) P-C4' energy: -92.456 flat angles C4'-P-C4' energy: -73.082 flat angles P-C4'-P energy: -42.520 tors. eta vs tors. theta energy: 9.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1536.474319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.474319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.474319 (E_RNA) where: Base-Base interactions energy: -1039.693 where: short stacking energy: -470.123 Base-Backbone interact. energy: -0.937 local terms energy: -495.843585 where: bonds (distance) C4'-P energy: -84.798 bonds (distance) P-C4' energy: -103.260 flat angles C4'-P-C4' energy: -103.402 flat angles P-C4'-P energy: -67.711 tors. eta vs tors. theta energy: -136.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1490.026153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.026153 (E_RNA) where: Base-Base interactions energy: -984.684 where: short stacking energy: -470.972 Base-Backbone interact. energy: 0.939 local terms energy: -506.280934 where: bonds (distance) C4'-P energy: -92.914 bonds (distance) P-C4' energy: -95.991 flat angles C4'-P-C4' energy: -106.600 flat angles P-C4'-P energy: -81.085 tors. eta vs tors. theta energy: -129.691 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: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1323.327985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.327985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.327985 (E_RNA) where: Base-Base interactions energy: -867.490 where: short stacking energy: -395.674 Base-Backbone interact. energy: 1.265 local terms energy: -457.102911 where: bonds (distance) C4'-P energy: -90.548 bonds (distance) P-C4' energy: -90.143 flat angles C4'-P-C4' energy: -104.733 flat angles P-C4'-P energy: -60.537 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: 4, replica: 2 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1171.859321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.859321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.859321 (E_RNA) where: Base-Base interactions energy: -742.687 where: short stacking energy: -361.546 Base-Backbone interact. energy: -1.794 local terms energy: -427.378323 where: bonds (distance) C4'-P energy: -89.947 bonds (distance) P-C4' energy: -95.567 flat angles C4'-P-C4' energy: -104.739 flat angles P-C4'-P energy: -37.858 tors. eta vs tors. theta energy: -99.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1117.642058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.642058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.642058 (E_RNA) where: Base-Base interactions energy: -712.764 where: short stacking energy: -356.289 Base-Backbone interact. energy: -1.548 local terms energy: -403.330395 where: bonds (distance) C4'-P energy: -91.891 bonds (distance) P-C4' energy: -77.475 flat angles C4'-P-C4' energy: -94.292 flat angles P-C4'-P energy: -53.764 tors. eta vs tors. theta energy: -85.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -986.460537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.460537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.460537 (E_RNA) where: Base-Base interactions energy: -606.562 where: short stacking energy: -300.786 Base-Backbone interact. energy: -1.567 local terms energy: -378.331162 where: bonds (distance) C4'-P energy: -88.803 bonds (distance) P-C4' energy: -78.900 flat angles C4'-P-C4' energy: -91.028 flat angles P-C4'-P energy: -55.400 tors. eta vs tors. theta energy: -64.200 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: 7 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -751.020459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.020459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.020459 (E_RNA) where: Base-Base interactions energy: -417.816 where: short stacking energy: -221.400 Base-Backbone interact. energy: -1.260 local terms energy: -331.944879 where: bonds (distance) C4'-P energy: -78.879 bonds (distance) P-C4' energy: -88.125 flat angles C4'-P-C4' energy: -96.174 flat angles P-C4'-P energy: -39.601 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: 8, replica: 9 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -580.184053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.184053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.184053 (E_RNA) where: Base-Base interactions energy: -274.295 where: short stacking energy: -170.467 Base-Backbone interact. energy: -0.679 local terms energy: -305.210406 where: bonds (distance) C4'-P energy: -89.825 bonds (distance) P-C4' energy: -83.447 flat angles C4'-P-C4' energy: -70.203 flat angles P-C4'-P energy: -50.565 tors. eta vs tors. theta energy: -11.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -555.137912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.137912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.137912 (E_RNA) where: Base-Base interactions energy: -258.944 where: short stacking energy: -164.683 Base-Backbone interact. energy: -2.170 local terms energy: -294.024181 where: bonds (distance) C4'-P energy: -78.459 bonds (distance) P-C4' energy: -89.950 flat angles C4'-P-C4' energy: -67.104 flat angles P-C4'-P energy: -40.380 tors. eta vs tors. theta energy: -18.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -474.973109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.973109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.973109 (E_RNA) where: Base-Base interactions energy: -198.248 where: short stacking energy: -151.675 Base-Backbone interact. energy: -1.396 local terms energy: -275.328632 where: bonds (distance) C4'-P energy: -82.154 bonds (distance) P-C4' energy: -87.554 flat angles C4'-P-C4' energy: -59.266 flat angles P-C4'-P energy: -53.520 tors. eta vs tors. theta energy: 7.166 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: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1535.898922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.898922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.898922 (E_RNA) where: Base-Base interactions energy: -1024.139 where: short stacking energy: -468.524 Base-Backbone interact. energy: -1.504 local terms energy: -510.255842 where: bonds (distance) C4'-P energy: -97.085 bonds (distance) P-C4' energy: -100.690 flat angles C4'-P-C4' energy: -104.568 flat angles P-C4'-P energy: -67.510 tors. eta vs tors. theta energy: -140.403 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: 4 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1459.140584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.140584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.140584 (E_RNA) where: Base-Base interactions energy: -943.961 where: short stacking energy: -432.156 Base-Backbone interact. energy: -1.794 local terms energy: -513.385506 where: bonds (distance) C4'-P energy: -96.711 bonds (distance) P-C4' energy: -101.556 flat angles C4'-P-C4' energy: -108.612 flat angles P-C4'-P energy: -78.431 tors. eta vs tors. theta energy: -128.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1352.722456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.722456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.722456 (E_RNA) where: Base-Base interactions energy: -882.444 where: short stacking energy: -407.441 Base-Backbone interact. energy: 1.371 local terms energy: -471.650236 where: bonds (distance) C4'-P energy: -87.991 bonds (distance) P-C4' energy: -103.330 flat angles C4'-P-C4' energy: -102.958 flat angles P-C4'-P energy: -61.177 tors. eta vs tors. theta energy: -116.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1165.386459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.386459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.386459 (E_RNA) where: Base-Base interactions energy: -743.341 where: short stacking energy: -357.261 Base-Backbone interact. energy: -1.288 local terms energy: -420.757309 where: bonds (distance) C4'-P energy: -86.228 bonds (distance) P-C4' energy: -86.054 flat angles C4'-P-C4' energy: -94.195 flat angles P-C4'-P energy: -61.903 tors. eta vs tors. theta energy: -92.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1105.290928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.290928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.290928 (E_RNA) where: Base-Base interactions energy: -708.783 where: short stacking energy: -319.974 Base-Backbone interact. energy: -3.801 local terms energy: -392.707237 where: bonds (distance) C4'-P energy: -90.051 bonds (distance) P-C4' energy: -68.542 flat angles C4'-P-C4' energy: -88.997 flat angles P-C4'-P energy: -57.558 tors. eta vs tors. theta energy: -87.559 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: 6, replica: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -974.687699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.687699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.687699 (E_RNA) where: Base-Base interactions energy: -614.095 where: short stacking energy: -271.154 Base-Backbone interact. energy: -0.718 local terms energy: -359.875044 where: bonds (distance) C4'-P energy: -90.820 bonds (distance) P-C4' energy: -81.616 flat angles C4'-P-C4' energy: -84.846 flat angles P-C4'-P energy: -40.313 tors. eta vs tors. theta energy: -62.280 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: 7 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -693.745921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.745921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.745921 (E_RNA) where: Base-Base interactions energy: -358.102 where: short stacking energy: -224.586 Base-Backbone interact. energy: 1.896 local terms energy: -337.539890 where: bonds (distance) C4'-P energy: -93.894 bonds (distance) P-C4' energy: -83.339 flat angles C4'-P-C4' energy: -71.606 flat angles P-C4'-P energy: -47.259 tors. eta vs tors. theta energy: -41.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -596.621802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.621802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.621802 (E_RNA) where: Base-Base interactions energy: -294.562 where: short stacking energy: -202.213 Base-Backbone interact. energy: 6.478 local terms energy: -308.537767 where: bonds (distance) C4'-P energy: -83.304 bonds (distance) P-C4' energy: -78.082 flat angles C4'-P-C4' energy: -66.819 flat angles P-C4'-P energy: -59.464 tors. eta vs tors. theta energy: -20.868 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: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -489.698360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.698360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.698360 (E_RNA) where: Base-Base interactions energy: -234.733 where: short stacking energy: -139.237 Base-Backbone interact. energy: -0.130 local terms energy: -254.835244 where: bonds (distance) C4'-P energy: -84.207 bonds (distance) P-C4' energy: -80.722 flat angles C4'-P-C4' energy: -51.717 flat angles P-C4'-P energy: -45.431 tors. eta vs tors. theta energy: 7.243 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: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -396.557181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.557181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.557181 (E_RNA) where: Base-Base interactions energy: -144.809 where: short stacking energy: -120.798 Base-Backbone interact. energy: 1.192 local terms energy: -252.939968 where: bonds (distance) C4'-P energy: -85.405 bonds (distance) P-C4' energy: -94.146 flat angles C4'-P-C4' energy: -61.145 flat angles P-C4'-P energy: -31.703 tors. eta vs tors. theta energy: 19.458 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: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1484.536765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.536765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.536765 (E_RNA) where: Base-Base interactions energy: -1005.192 where: short stacking energy: -457.242 Base-Backbone interact. energy: -0.902 local terms energy: -478.442929 where: bonds (distance) C4'-P energy: -89.125 bonds (distance) P-C4' energy: -91.179 flat angles C4'-P-C4' energy: -103.451 flat angles P-C4'-P energy: -65.713 tors. eta vs tors. theta energy: -128.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1472.801401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.801401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.801401 (E_RNA) where: Base-Base interactions energy: -966.698 where: short stacking energy: -454.813 Base-Backbone interact. energy: 1.697 local terms energy: -507.800860 where: bonds (distance) C4'-P energy: -88.615 bonds (distance) P-C4' energy: -88.228 flat angles C4'-P-C4' energy: -112.004 flat angles P-C4'-P energy: -73.929 tors. eta vs tors. theta energy: -145.024 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: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1329.327192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.327192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.327192 (E_RNA) where: Base-Base interactions energy: -870.321 where: short stacking energy: -375.846 Base-Backbone interact. energy: -1.869 local terms energy: -457.137065 where: bonds (distance) C4'-P energy: -91.760 bonds (distance) P-C4' energy: -100.143 flat angles C4'-P-C4' energy: -104.783 flat angles P-C4'-P energy: -62.480 tors. eta vs tors. theta energy: -97.970 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: 4, replica: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1162.648098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.648098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.648098 (E_RNA) where: Base-Base interactions energy: -731.657 where: short stacking energy: -362.170 Base-Backbone interact. energy: -0.679 local terms energy: -430.311604 where: bonds (distance) C4'-P energy: -86.348 bonds (distance) P-C4' energy: -82.572 flat angles C4'-P-C4' energy: -99.932 flat angles P-C4'-P energy: -61.480 tors. eta vs tors. theta energy: -99.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1065.074258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.074258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.074258 (E_RNA) where: Base-Base interactions energy: -665.751 where: short stacking energy: -301.650 Base-Backbone interact. energy: -0.437 local terms energy: -398.885724 where: bonds (distance) C4'-P energy: -81.648 bonds (distance) P-C4' energy: -92.133 flat angles C4'-P-C4' energy: -88.535 flat angles P-C4'-P energy: -68.231 tors. eta vs tors. theta energy: -68.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -980.815030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.815030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.815030 (E_RNA) where: Base-Base interactions energy: -609.144 where: short stacking energy: -305.683 Base-Backbone interact. energy: -0.996 local terms energy: -370.675792 where: bonds (distance) C4'-P energy: -83.208 bonds (distance) P-C4' energy: -81.683 flat angles C4'-P-C4' energy: -87.072 flat angles P-C4'-P energy: -46.146 tors. eta vs tors. theta energy: -72.567 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: 7 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -760.774457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.774457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.774457 (E_RNA) where: Base-Base interactions energy: -450.801 where: short stacking energy: -236.422 Base-Backbone interact. energy: 2.020 local terms energy: -311.993403 where: bonds (distance) C4'-P energy: -75.212 bonds (distance) P-C4' energy: -76.451 flat angles C4'-P-C4' energy: -81.850 flat angles P-C4'-P energy: -43.566 tors. eta vs tors. theta energy: -34.915 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: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -595.437402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.437402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.437402 (E_RNA) where: Base-Base interactions energy: -273.681 where: short stacking energy: -162.305 Base-Backbone interact. energy: -2.743 local terms energy: -319.013324 where: bonds (distance) C4'-P energy: -89.039 bonds (distance) P-C4' energy: -96.923 flat angles C4'-P-C4' energy: -65.817 flat angles P-C4'-P energy: -43.331 tors. eta vs tors. theta energy: -23.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -526.300061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.300061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.300061 (E_RNA) where: Base-Base interactions energy: -229.448 where: short stacking energy: -148.871 Base-Backbone interact. energy: 3.745 local terms energy: -300.597160 where: bonds (distance) C4'-P energy: -80.961 bonds (distance) P-C4' energy: -78.755 flat angles C4'-P-C4' energy: -78.463 flat angles P-C4'-P energy: -54.274 tors. eta vs tors. theta energy: -8.145 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: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -377.772676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.772676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.772676 (E_RNA) where: Base-Base interactions energy: -143.562 where: short stacking energy: -118.689 Base-Backbone interact. energy: 1.872 local terms energy: -236.082487 where: bonds (distance) C4'-P energy: -73.393 bonds (distance) P-C4' energy: -92.239 flat angles C4'-P-C4' energy: -65.394 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: 3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1484.593491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.593491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.593491 (E_RNA) where: Base-Base interactions energy: -983.063 where: short stacking energy: -440.979 Base-Backbone interact. energy: 1.123 local terms energy: -502.652996 where: bonds (distance) C4'-P energy: -92.565 bonds (distance) P-C4' energy: -105.263 flat angles C4'-P-C4' energy: -105.316 flat angles P-C4'-P energy: -75.488 tors. eta vs tors. theta energy: -124.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1448.775661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.775661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.775661 (E_RNA) where: Base-Base interactions energy: -966.198 where: short stacking energy: -442.921 Base-Backbone interact. energy: -2.566 local terms energy: -480.011850 where: bonds (distance) C4'-P energy: -84.849 bonds (distance) P-C4' energy: -90.738 flat angles C4'-P-C4' energy: -103.709 flat angles P-C4'-P energy: -65.275 tors. eta vs tors. theta energy: -135.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1324.782731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.782731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.782731 (E_RNA) where: Base-Base interactions energy: -879.446 where: short stacking energy: -388.857 Base-Backbone interact. energy: -0.707 local terms energy: -444.629856 where: bonds (distance) C4'-P energy: -93.909 bonds (distance) P-C4' energy: -92.542 flat angles C4'-P-C4' energy: -97.562 flat angles P-C4'-P energy: -54.098 tors. eta vs tors. theta energy: -106.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1133.644702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.644702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.644702 (E_RNA) where: Base-Base interactions energy: -714.840 where: short stacking energy: -353.611 Base-Backbone interact. energy: -1.107 local terms energy: -417.698059 where: bonds (distance) C4'-P energy: -84.844 bonds (distance) P-C4' energy: -85.823 flat angles C4'-P-C4' energy: -89.127 flat angles P-C4'-P energy: -65.434 tors. eta vs tors. theta energy: -92.470 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: 10 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1057.633814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.633814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.633814 (E_RNA) where: Base-Base interactions energy: -651.182 where: short stacking energy: -312.884 Base-Backbone interact. energy: -0.141 local terms energy: -406.310646 where: bonds (distance) C4'-P energy: -80.195 bonds (distance) P-C4' energy: -86.006 flat angles C4'-P-C4' energy: -92.411 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -85.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -988.250300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.250300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.250300 (E_RNA) where: Base-Base interactions energy: -615.822 where: short stacking energy: -301.815 Base-Backbone interact. energy: -2.323 local terms energy: -370.105163 where: bonds (distance) C4'-P energy: -76.397 bonds (distance) P-C4' energy: -85.906 flat angles C4'-P-C4' energy: -90.673 flat angles P-C4'-P energy: -50.160 tors. eta vs tors. theta energy: -66.969 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: 7, replica: 7 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -759.147017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.147017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.147017 (E_RNA) where: Base-Base interactions energy: -410.627 where: short stacking energy: -212.065 Base-Backbone interact. energy: -2.193 local terms energy: -346.326484 where: bonds (distance) C4'-P energy: -94.729 bonds (distance) P-C4' energy: -86.127 flat angles C4'-P-C4' energy: -90.172 flat angles P-C4'-P energy: -49.145 tors. eta vs tors. theta energy: -26.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -575.199923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.199923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.199923 (E_RNA) where: Base-Base interactions energy: -290.099 where: short stacking energy: -192.282 Base-Backbone interact. energy: 1.413 local terms energy: -286.514013 where: bonds (distance) C4'-P energy: -84.606 bonds (distance) P-C4' energy: -73.499 flat angles C4'-P-C4' energy: -73.833 flat angles P-C4'-P energy: -29.912 tors. eta vs tors. theta energy: -24.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -505.348185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.348185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.348185 (E_RNA) where: Base-Base interactions energy: -213.792 where: short stacking energy: -135.980 Base-Backbone interact. energy: -0.775 local terms energy: -290.781625 where: bonds (distance) C4'-P energy: -78.400 bonds (distance) P-C4' energy: -81.895 flat angles C4'-P-C4' energy: -76.660 flat angles P-C4'-P energy: -52.686 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -384.491311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.491311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.491311 (E_RNA) where: Base-Base interactions energy: -167.854 where: short stacking energy: -141.865 Base-Backbone interact. energy: 1.328 local terms energy: -217.964707 where: bonds (distance) C4'-P energy: -57.069 bonds (distance) P-C4' energy: -76.844 flat angles C4'-P-C4' energy: -63.040 flat angles P-C4'-P energy: -35.946 tors. eta vs tors. theta energy: 14.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1498.486305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.486305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.486305 (E_RNA) where: Base-Base interactions energy: -1011.127 where: short stacking energy: -475.239 Base-Backbone interact. energy: -1.441 local terms energy: -485.919032 where: bonds (distance) C4'-P energy: -95.716 bonds (distance) P-C4' energy: -93.893 flat angles C4'-P-C4' energy: -102.874 flat angles P-C4'-P energy: -55.952 tors. eta vs tors. theta energy: -137.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1435.193734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.193734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.193734 (E_RNA) where: Base-Base interactions energy: -949.804 where: short stacking energy: -419.488 Base-Backbone interact. energy: -2.050 local terms energy: -483.339962 where: bonds (distance) C4'-P energy: -87.358 bonds (distance) P-C4' energy: -95.663 flat angles C4'-P-C4' energy: -107.852 flat angles P-C4'-P energy: -74.779 tors. eta vs tors. theta energy: -117.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1322.961298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.961298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.961298 (E_RNA) where: Base-Base interactions energy: -861.162 where: short stacking energy: -405.087 Base-Backbone interact. energy: -2.526 local terms energy: -459.273461 where: bonds (distance) C4'-P energy: -81.973 bonds (distance) P-C4' energy: -98.685 flat angles C4'-P-C4' energy: -103.888 flat angles P-C4'-P energy: -71.169 tors. eta vs tors. theta energy: -103.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1147.810000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.810000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.810000 (E_RNA) where: Base-Base interactions energy: -738.487 where: short stacking energy: -339.078 Base-Backbone interact. energy: -2.852 local terms energy: -406.471361 where: bonds (distance) C4'-P energy: -88.100 bonds (distance) P-C4' energy: -81.980 flat angles C4'-P-C4' energy: -90.988 flat angles P-C4'-P energy: -66.994 tors. eta vs tors. theta energy: -78.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1083.973439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.973439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.973439 (E_RNA) where: Base-Base interactions energy: -694.475 where: short stacking energy: -330.892 Base-Backbone interact. energy: 0.458 local terms energy: -389.956327 where: bonds (distance) C4'-P energy: -74.223 bonds (distance) P-C4' energy: -93.533 flat angles C4'-P-C4' energy: -78.910 flat angles P-C4'-P energy: -57.003 tors. eta vs tors. theta energy: -86.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -933.342750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.342750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.342750 (E_RNA) where: Base-Base interactions energy: -570.717 where: short stacking energy: -269.010 Base-Backbone interact. energy: -1.341 local terms energy: -361.284542 where: bonds (distance) C4'-P energy: -81.975 bonds (distance) P-C4' energy: -94.105 flat angles C4'-P-C4' energy: -81.497 flat angles P-C4'-P energy: -45.985 tors. eta vs tors. theta energy: -57.723 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: 7 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -758.237846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.237846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.237846 (E_RNA) where: Base-Base interactions energy: -431.363 where: short stacking energy: -237.268 Base-Backbone interact. energy: -0.705 local terms energy: -326.170073 where: bonds (distance) C4'-P energy: -74.080 bonds (distance) P-C4' energy: -85.904 flat angles C4'-P-C4' energy: -67.586 flat angles P-C4'-P energy: -59.895 tors. eta vs tors. theta energy: -38.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -634.165669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.165669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.165669 (E_RNA) where: Base-Base interactions energy: -332.168 where: short stacking energy: -196.322 Base-Backbone interact. energy: -0.827 local terms energy: -301.171216 where: bonds (distance) C4'-P energy: -72.159 bonds (distance) P-C4' energy: -72.468 flat angles C4'-P-C4' energy: -80.685 flat angles P-C4'-P energy: -49.729 tors. eta vs tors. theta energy: -26.131 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: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -510.765383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.765383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.765383 (E_RNA) where: Base-Base interactions energy: -216.114 where: short stacking energy: -134.219 Base-Backbone interact. energy: -1.195 local terms energy: -293.456216 where: bonds (distance) C4'-P energy: -79.853 bonds (distance) P-C4' energy: -91.235 flat angles C4'-P-C4' energy: -76.207 flat angles P-C4'-P energy: -49.876 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: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -382.463412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.463412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.463412 (E_RNA) where: Base-Base interactions energy: -127.231 where: short stacking energy: -112.309 Base-Backbone interact. energy: -1.509 local terms energy: -253.723584 where: bonds (distance) C4'-P energy: -89.727 bonds (distance) P-C4' energy: -85.520 flat angles C4'-P-C4' energy: -57.148 flat angles P-C4'-P energy: -34.564 tors. eta vs tors. theta energy: 13.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1499.382508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.382508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.382508 (E_RNA) where: Base-Base interactions energy: -1007.082 where: short stacking energy: -457.182 Base-Backbone interact. energy: -3.541 local terms energy: -488.759647 where: bonds (distance) C4'-P energy: -89.884 bonds (distance) P-C4' energy: -99.443 flat angles C4'-P-C4' energy: -106.803 flat angles P-C4'-P energy: -66.879 tors. eta vs tors. theta energy: -125.751 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: 4 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1477.088790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.088790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.088790 (E_RNA) where: Base-Base interactions energy: -973.639 where: short stacking energy: -474.335 Base-Backbone interact. energy: -1.823 local terms energy: -501.626228 where: bonds (distance) C4'-P energy: -90.795 bonds (distance) P-C4' energy: -83.012 flat angles C4'-P-C4' energy: -115.904 flat angles P-C4'-P energy: -76.598 tors. eta vs tors. theta energy: -135.317 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: 6 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1316.231327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.231327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.231327 (E_RNA) where: Base-Base interactions energy: -859.358 where: short stacking energy: -385.329 Base-Backbone interact. energy: 0.552 local terms energy: -457.425915 where: bonds (distance) C4'-P energy: -80.687 bonds (distance) P-C4' energy: -92.457 flat angles C4'-P-C4' energy: -106.670 flat angles P-C4'-P energy: -71.877 tors. eta vs tors. theta energy: -105.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1168.284681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.284681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.284681 (E_RNA) where: Base-Base interactions energy: -726.629 where: short stacking energy: -364.074 Base-Backbone interact. energy: -0.517 local terms energy: -441.138530 where: bonds (distance) C4'-P energy: -96.594 bonds (distance) P-C4' energy: -81.476 flat angles C4'-P-C4' energy: -94.465 flat angles P-C4'-P energy: -62.006 tors. eta vs tors. theta energy: -106.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1067.864740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.864740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.864740 (E_RNA) where: Base-Base interactions energy: -655.203 where: short stacking energy: -339.054 Base-Backbone interact. energy: -1.007 local terms energy: -411.655224 where: bonds (distance) C4'-P energy: -90.548 bonds (distance) P-C4' energy: -86.352 flat angles C4'-P-C4' energy: -87.717 flat angles P-C4'-P energy: -63.924 tors. eta vs tors. theta energy: -83.113 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: 6, replica: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -931.990202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.990202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.990202 (E_RNA) where: Base-Base interactions energy: -550.138 where: short stacking energy: -280.060 Base-Backbone interact. energy: -1.780 local terms energy: -380.071838 where: bonds (distance) C4'-P energy: -76.377 bonds (distance) P-C4' energy: -103.443 flat angles C4'-P-C4' energy: -90.081 flat angles P-C4'-P energy: -53.980 tors. eta vs tors. theta energy: -56.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -746.873732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.873732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.873732 (E_RNA) where: Base-Base interactions energy: -413.154 where: short stacking energy: -221.145 Base-Backbone interact. energy: 1.123 local terms energy: -334.842934 where: bonds (distance) C4'-P energy: -82.858 bonds (distance) P-C4' energy: -92.187 flat angles C4'-P-C4' energy: -79.620 flat angles P-C4'-P energy: -41.022 tors. eta vs tors. theta energy: -39.157 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: 218 Temperature: 1.250000 Total energy: -604.857026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.857026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.857026 (E_RNA) where: Base-Base interactions energy: -304.221 where: short stacking energy: -163.429 Base-Backbone interact. energy: 2.869 local terms energy: -303.505005 where: bonds (distance) C4'-P energy: -75.926 bonds (distance) P-C4' energy: -92.746 flat angles C4'-P-C4' energy: -65.899 flat angles P-C4'-P energy: -49.853 tors. eta vs tors. theta energy: -19.081 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: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -507.733290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.733290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.733290 (E_RNA) where: Base-Base interactions energy: -250.224 where: short stacking energy: -137.090 Base-Backbone interact. energy: -1.416 local terms energy: -256.093790 where: bonds (distance) C4'-P energy: -65.877 bonds (distance) P-C4' energy: -80.465 flat angles C4'-P-C4' energy: -64.304 flat angles P-C4'-P energy: -41.384 tors. eta vs tors. theta energy: -4.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -381.063205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.063205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.063205 (E_RNA) where: Base-Base interactions energy: -120.351 where: short stacking energy: -116.783 Base-Backbone interact. energy: 2.442 local terms energy: -263.153736 where: bonds (distance) C4'-P energy: -78.170 bonds (distance) P-C4' energy: -84.358 flat angles C4'-P-C4' energy: -70.272 flat angles P-C4'-P energy: -41.970 tors. eta vs tors. theta energy: 11.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1496.363277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.363277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.363277 (E_RNA) where: Base-Base interactions energy: -1005.961 where: short stacking energy: -453.722 Base-Backbone interact. energy: 1.020 local terms energy: -491.421819 where: bonds (distance) C4'-P energy: -98.925 bonds (distance) P-C4' energy: -86.625 flat angles C4'-P-C4' energy: -109.314 flat angles P-C4'-P energy: -68.978 tors. eta vs tors. theta energy: -127.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1502.405719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.405719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.405719 (E_RNA) where: Base-Base interactions energy: -988.382 where: short stacking energy: -473.504 Base-Backbone interact. energy: -3.243 local terms energy: -510.780582 where: bonds (distance) C4'-P energy: -99.986 bonds (distance) P-C4' energy: -95.444 flat angles C4'-P-C4' energy: -98.097 flat angles P-C4'-P energy: -70.524 tors. eta vs tors. theta energy: -146.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1295.162610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.162610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.162610 (E_RNA) where: Base-Base interactions energy: -837.124 where: short stacking energy: -355.745 Base-Backbone interact. energy: -1.627 local terms energy: -456.412082 where: bonds (distance) C4'-P energy: -89.389 bonds (distance) P-C4' energy: -100.789 flat angles C4'-P-C4' energy: -106.265 flat angles P-C4'-P energy: -66.249 tors. eta vs tors. theta energy: -93.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1172.844158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.844158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.844158 (E_RNA) where: Base-Base interactions energy: -751.515 where: short stacking energy: -362.902 Base-Backbone interact. energy: 2.220 local terms energy: -423.548974 where: bonds (distance) C4'-P energy: -84.192 bonds (distance) P-C4' energy: -79.187 flat angles C4'-P-C4' energy: -94.527 flat angles P-C4'-P energy: -69.303 tors. eta vs tors. theta energy: -96.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1076.738349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.738349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.738349 (E_RNA) where: Base-Base interactions energy: -678.836 where: short stacking energy: -308.244 Base-Backbone interact. energy: -1.413 local terms energy: -396.489017 where: bonds (distance) C4'-P energy: -95.604 bonds (distance) P-C4' energy: -96.895 flat angles C4'-P-C4' energy: -80.814 flat angles P-C4'-P energy: -49.577 tors. eta vs tors. theta energy: -73.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -961.697523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.697523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.697523 (E_RNA) where: Base-Base interactions energy: -569.957 where: short stacking energy: -287.583 Base-Backbone interact. energy: -0.396 local terms energy: -391.344630 where: bonds (distance) C4'-P energy: -88.158 bonds (distance) P-C4' energy: -83.337 flat angles C4'-P-C4' energy: -96.972 flat angles P-C4'-P energy: -56.557 tors. eta vs tors. theta energy: -66.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -781.915275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.915275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.915275 (E_RNA) where: Base-Base interactions energy: -439.205 where: short stacking energy: -222.787 Base-Backbone interact. energy: -4.550 local terms energy: -338.160106 where: bonds (distance) C4'-P energy: -76.939 bonds (distance) P-C4' energy: -82.082 flat angles C4'-P-C4' energy: -83.886 flat angles P-C4'-P energy: -51.979 tors. eta vs tors. theta energy: -43.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -553.737155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.737155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.737155 (E_RNA) where: Base-Base interactions energy: -262.380 where: short stacking energy: -179.744 Base-Backbone interact. energy: 2.140 local terms energy: -293.498006 where: bonds (distance) C4'-P energy: -75.122 bonds (distance) P-C4' energy: -77.603 flat angles C4'-P-C4' energy: -79.579 flat angles P-C4'-P energy: -42.893 tors. eta vs tors. theta energy: -18.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -545.837347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.837347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.837347 (E_RNA) where: Base-Base interactions energy: -275.325 where: short stacking energy: -167.237 Base-Backbone interact. energy: 2.153 local terms energy: -272.664914 where: bonds (distance) C4'-P energy: -81.509 bonds (distance) P-C4' energy: -85.330 flat angles C4'-P-C4' energy: -74.362 flat angles P-C4'-P energy: -34.120 tors. eta vs tors. theta energy: 2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -366.107382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.107382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.107382 (E_RNA) where: Base-Base interactions energy: -132.602 where: short stacking energy: -106.147 Base-Backbone interact. energy: -0.217 local terms energy: -233.288283 where: bonds (distance) C4'-P energy: -76.402 bonds (distance) P-C4' energy: -79.964 flat angles C4'-P-C4' energy: -54.930 flat angles P-C4'-P energy: -44.016 tors. eta vs tors. theta energy: 22.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1522.641971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.641971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.641971 (E_RNA) where: Base-Base interactions energy: -989.082 where: short stacking energy: -474.568 Base-Backbone interact. energy: -0.266 local terms energy: -533.293773 where: bonds (distance) C4'-P energy: -104.950 bonds (distance) P-C4' energy: -108.633 flat angles C4'-P-C4' energy: -98.722 flat angles P-C4'-P energy: -72.828 tors. eta vs tors. theta energy: -148.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1466.293632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.293632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.293632 (E_RNA) where: Base-Base interactions energy: -958.856 where: short stacking energy: -448.789 Base-Backbone interact. energy: -2.960 local terms energy: -504.477539 where: bonds (distance) C4'-P energy: -95.179 bonds (distance) P-C4' energy: -86.103 flat angles C4'-P-C4' energy: -112.481 flat angles P-C4'-P energy: -74.480 tors. eta vs tors. theta energy: -136.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1289.685387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.685387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.685387 (E_RNA) where: Base-Base interactions energy: -855.302 where: short stacking energy: -381.833 Base-Backbone interact. energy: -1.363 local terms energy: -433.020043 where: bonds (distance) C4'-P energy: -83.690 bonds (distance) P-C4' energy: -89.007 flat angles C4'-P-C4' energy: -93.032 flat angles P-C4'-P energy: -63.043 tors. eta vs tors. theta energy: -104.247 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: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1195.710934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.710934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.710934 (E_RNA) where: Base-Base interactions energy: -782.545 where: short stacking energy: -366.597 Base-Backbone interact. energy: -1.396 local terms energy: -411.769879 where: bonds (distance) C4'-P energy: -89.498 bonds (distance) P-C4' energy: -74.523 flat angles C4'-P-C4' energy: -95.199 flat angles P-C4'-P energy: -55.231 tors. eta vs tors. theta energy: -97.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1129.275452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.275452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.275452 (E_RNA) where: Base-Base interactions energy: -714.104 where: short stacking energy: -355.521 Base-Backbone interact. energy: -1.158 local terms energy: -414.013366 where: bonds (distance) C4'-P energy: -76.174 bonds (distance) P-C4' energy: -84.484 flat angles C4'-P-C4' energy: -99.591 flat angles P-C4'-P energy: -54.285 tors. eta vs tors. theta energy: -99.479 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: 3 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -932.273517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.273517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.273517 (E_RNA) where: Base-Base interactions energy: -573.908 where: short stacking energy: -294.483 Base-Backbone interact. energy: -2.077 local terms energy: -356.288037 where: bonds (distance) C4'-P energy: -73.345 bonds (distance) P-C4' energy: -87.314 flat angles C4'-P-C4' energy: -74.000 flat angles P-C4'-P energy: -60.686 tors. eta vs tors. theta energy: -60.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -786.316961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.316961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.316961 (E_RNA) where: Base-Base interactions energy: -446.432 where: short stacking energy: -231.460 Base-Backbone interact. energy: 0.895 local terms energy: -340.779564 where: bonds (distance) C4'-P energy: -81.763 bonds (distance) P-C4' energy: -81.958 flat angles C4'-P-C4' energy: -87.417 flat angles P-C4'-P energy: -56.040 tors. eta vs tors. theta energy: -33.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -628.311093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.311093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.311093 (E_RNA) where: Base-Base interactions energy: -323.032 where: short stacking energy: -178.582 Base-Backbone interact. energy: 1.941 local terms energy: -307.220161 where: bonds (distance) C4'-P energy: -91.739 bonds (distance) P-C4' energy: -80.996 flat angles C4'-P-C4' energy: -49.437 flat angles P-C4'-P energy: -70.592 tors. eta vs tors. theta energy: -14.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -492.731755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.731755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.731755 (E_RNA) where: Base-Base interactions energy: -237.328 where: short stacking energy: -143.392 Base-Backbone interact. energy: -2.445 local terms energy: -252.958368 where: bonds (distance) C4'-P energy: -73.027 bonds (distance) P-C4' energy: -66.613 flat angles C4'-P-C4' energy: -81.028 flat angles P-C4'-P energy: -37.812 tors. eta vs tors. theta energy: 5.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -426.796715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.796715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.796715 (E_RNA) where: Base-Base interactions energy: -153.641 where: short stacking energy: -109.585 Base-Backbone interact. energy: 5.838 local terms energy: -278.993423 where: bonds (distance) C4'-P energy: -74.406 bonds (distance) P-C4' energy: -87.007 flat angles C4'-P-C4' energy: -83.853 flat angles P-C4'-P energy: -47.814 tors. eta vs tors. theta energy: 14.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1505.752849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.752849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.752849 (E_RNA) where: Base-Base interactions energy: -1002.742 where: short stacking energy: -479.217 Base-Backbone interact. energy: -2.536 local terms energy: -500.474952 where: bonds (distance) C4'-P energy: -91.097 bonds (distance) P-C4' energy: -92.147 flat angles C4'-P-C4' energy: -106.125 flat angles P-C4'-P energy: -72.366 tors. eta vs tors. theta energy: -138.740 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: 8 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1445.381739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.381739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.381739 (E_RNA) where: Base-Base interactions energy: -952.733 where: short stacking energy: -443.594 Base-Backbone interact. energy: -2.975 local terms energy: -489.673410 where: bonds (distance) C4'-P energy: -91.382 bonds (distance) P-C4' energy: -90.517 flat angles C4'-P-C4' energy: -106.263 flat angles P-C4'-P energy: -63.220 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: 3, replica: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1362.418226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.418226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.418226 (E_RNA) where: Base-Base interactions energy: -914.341 where: short stacking energy: -439.653 Base-Backbone interact. energy: -1.644 local terms energy: -446.433330 where: bonds (distance) C4'-P energy: -91.426 bonds (distance) P-C4' energy: -79.378 flat angles C4'-P-C4' energy: -103.738 flat angles P-C4'-P energy: -58.235 tors. eta vs tors. theta energy: -113.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1175.446232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.446232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.446232 (E_RNA) where: Base-Base interactions energy: -734.615 where: short stacking energy: -349.736 Base-Backbone interact. energy: -2.316 local terms energy: -438.515490 where: bonds (distance) C4'-P energy: -75.713 bonds (distance) P-C4' energy: -103.836 flat angles C4'-P-C4' energy: -96.194 flat angles P-C4'-P energy: -67.264 tors. eta vs tors. theta energy: -95.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1119.570102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.570102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.570102 (E_RNA) where: Base-Base interactions energy: -692.855 where: short stacking energy: -336.715 Base-Backbone interact. energy: -0.638 local terms energy: -426.076824 where: bonds (distance) C4'-P energy: -84.342 bonds (distance) P-C4' energy: -90.957 flat angles C4'-P-C4' energy: -89.896 flat angles P-C4'-P energy: -67.166 tors. eta vs tors. theta energy: -93.716 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: 3 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -965.863343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.863343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.863343 (E_RNA) where: Base-Base interactions energy: -592.398 where: short stacking energy: -301.715 Base-Backbone interact. energy: -2.684 local terms energy: -370.781246 where: bonds (distance) C4'-P energy: -86.268 bonds (distance) P-C4' energy: -82.269 flat angles C4'-P-C4' energy: -78.029 flat angles P-C4'-P energy: -56.902 tors. eta vs tors. theta energy: -67.313 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: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -823.445826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.445826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.445826 (E_RNA) where: Base-Base interactions energy: -476.759 where: short stacking energy: -242.961 Base-Backbone interact. energy: -1.210 local terms energy: -345.477188 where: bonds (distance) C4'-P energy: -80.535 bonds (distance) P-C4' energy: -94.645 flat angles C4'-P-C4' energy: -89.857 flat angles P-C4'-P energy: -42.954 tors. eta vs tors. theta energy: -37.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -603.058224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.058224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.058224 (E_RNA) where: Base-Base interactions energy: -299.643 where: short stacking energy: -154.430 Base-Backbone interact. energy: -0.395 local terms energy: -303.020348 where: bonds (distance) C4'-P energy: -80.489 bonds (distance) P-C4' energy: -90.262 flat angles C4'-P-C4' energy: -79.620 flat angles P-C4'-P energy: -48.427 tors. eta vs tors. theta energy: -4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -527.284331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.284331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.284331 (E_RNA) where: Base-Base interactions energy: -231.661 where: short stacking energy: -148.926 Base-Backbone interact. energy: -1.134 local terms energy: -294.488446 where: bonds (distance) C4'-P energy: -93.846 bonds (distance) P-C4' energy: -83.930 flat angles C4'-P-C4' energy: -68.608 flat angles P-C4'-P energy: -52.307 tors. eta vs tors. theta energy: 4.202 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: 1 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -386.781807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.781807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.781807 (E_RNA) where: Base-Base interactions energy: -134.486 where: short stacking energy: -110.140 Base-Backbone interact. energy: -3.320 local terms energy: -248.975186 where: bonds (distance) C4'-P energy: -68.429 bonds (distance) P-C4' energy: -82.149 flat angles C4'-P-C4' energy: -63.989 flat angles P-C4'-P energy: -44.017 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: 4 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1519.708816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.708816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.708816 (E_RNA) where: Base-Base interactions energy: -993.161 where: short stacking energy: -476.868 Base-Backbone interact. energy: -1.616 local terms energy: -524.931576 where: bonds (distance) C4'-P energy: -102.599 bonds (distance) P-C4' energy: -95.622 flat angles C4'-P-C4' energy: -114.798 flat angles P-C4'-P energy: -65.274 tors. eta vs tors. theta energy: -146.638 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: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1448.426319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.426319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.426319 (E_RNA) where: Base-Base interactions energy: -954.474 where: short stacking energy: -416.514 Base-Backbone interact. energy: -1.559 local terms energy: -492.392575 where: bonds (distance) C4'-P energy: -98.429 bonds (distance) P-C4' energy: -99.990 flat angles C4'-P-C4' energy: -109.272 flat angles P-C4'-P energy: -63.419 tors. eta vs tors. theta energy: -121.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1324.662429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.662429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.662429 (E_RNA) where: Base-Base interactions energy: -880.280 where: short stacking energy: -390.841 Base-Backbone interact. energy: 0.467 local terms energy: -444.849131 where: bonds (distance) C4'-P energy: -93.376 bonds (distance) P-C4' energy: -88.269 flat angles C4'-P-C4' energy: -102.770 flat angles P-C4'-P energy: -51.713 tors. eta vs tors. theta energy: -108.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1158.352622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.352622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.352622 (E_RNA) where: Base-Base interactions energy: -720.202 where: short stacking energy: -371.096 Base-Backbone interact. energy: -0.712 local terms energy: -437.438124 where: bonds (distance) C4'-P energy: -82.037 bonds (distance) P-C4' energy: -86.149 flat angles C4'-P-C4' energy: -102.412 flat angles P-C4'-P energy: -57.536 tors. eta vs tors. theta energy: -109.304 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: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1147.967463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.967463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.967463 (E_RNA) where: Base-Base interactions energy: -741.041 where: short stacking energy: -351.118 Base-Backbone interact. energy: -0.457 local terms energy: -406.469417 where: bonds (distance) C4'-P energy: -70.172 bonds (distance) P-C4' energy: -74.959 flat angles C4'-P-C4' energy: -99.293 flat angles P-C4'-P energy: -59.592 tors. eta vs tors. theta energy: -102.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -962.267737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.267737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.267737 (E_RNA) where: Base-Base interactions energy: -601.832 where: short stacking energy: -284.812 Base-Backbone interact. energy: -0.352 local terms energy: -360.083354 where: bonds (distance) C4'-P energy: -79.779 bonds (distance) P-C4' energy: -92.004 flat angles C4'-P-C4' energy: -65.645 flat angles P-C4'-P energy: -54.692 tors. eta vs tors. theta energy: -67.963 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: 7 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -800.960265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.960265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.960265 (E_RNA) where: Base-Base interactions energy: -455.917 where: short stacking energy: -241.860 Base-Backbone interact. energy: -0.458 local terms energy: -344.585138 where: bonds (distance) C4'-P energy: -78.178 bonds (distance) P-C4' energy: -92.018 flat angles C4'-P-C4' energy: -65.254 flat angles P-C4'-P energy: -59.739 tors. eta vs tors. theta energy: -49.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -599.844412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.844412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.844412 (E_RNA) where: Base-Base interactions energy: -317.631 where: short stacking energy: -183.703 Base-Backbone interact. energy: -0.141 local terms energy: -282.072441 where: bonds (distance) C4'-P energy: -76.204 bonds (distance) P-C4' energy: -82.879 flat angles C4'-P-C4' energy: -76.690 flat angles P-C4'-P energy: -36.994 tors. eta vs tors. theta energy: -9.304 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: 222 Temperature: 1.300000 Total energy: -452.883286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.883286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.883286 (E_RNA) where: Base-Base interactions energy: -176.124 where: short stacking energy: -130.646 Base-Backbone interact. energy: -0.980 local terms energy: -275.779015 where: bonds (distance) C4'-P energy: -83.214 bonds (distance) P-C4' energy: -101.097 flat angles C4'-P-C4' energy: -64.127 flat angles P-C4'-P energy: -35.789 tors. eta vs tors. theta energy: 8.448 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: 1 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -373.974035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.974035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.974035 (E_RNA) where: Base-Base interactions energy: -129.248 where: short stacking energy: -120.330 Base-Backbone interact. energy: 0.618 local terms energy: -245.343528 where: bonds (distance) C4'-P energy: -81.653 bonds (distance) P-C4' energy: -72.375 flat angles C4'-P-C4' energy: -73.046 flat angles P-C4'-P energy: -27.144 tors. eta vs tors. theta energy: 8.875 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: 4 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1543.660399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.660399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.660399 (E_RNA) where: Base-Base interactions energy: -1039.855 where: short stacking energy: -518.336 Base-Backbone interact. energy: -0.117 local terms energy: -503.688288 where: bonds (distance) C4'-P energy: -86.411 bonds (distance) P-C4' energy: -91.121 flat angles C4'-P-C4' energy: -110.422 flat angles P-C4'-P energy: -67.301 tors. eta vs tors. theta energy: -148.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1442.406613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.406613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.406613 (E_RNA) where: Base-Base interactions energy: -940.720 where: short stacking energy: -446.239 Base-Backbone interact. energy: -3.424 local terms energy: -498.262916 where: bonds (distance) C4'-P energy: -86.321 bonds (distance) P-C4' energy: -93.303 flat angles C4'-P-C4' energy: -110.013 flat angles P-C4'-P energy: -71.680 tors. eta vs tors. theta energy: -136.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1351.642002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.642002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.642002 (E_RNA) where: Base-Base interactions energy: -897.754 where: short stacking energy: -408.585 Base-Backbone interact. energy: 3.434 local terms energy: -457.321987 where: bonds (distance) C4'-P energy: -96.014 bonds (distance) P-C4' energy: -95.638 flat angles C4'-P-C4' energy: -97.762 flat angles P-C4'-P energy: -60.075 tors. eta vs tors. theta energy: -107.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1211.937251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.937251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.937251 (E_RNA) where: Base-Base interactions energy: -776.381 where: short stacking energy: -370.692 Base-Backbone interact. energy: -1.803 local terms energy: -433.753516 where: bonds (distance) C4'-P energy: -86.568 bonds (distance) P-C4' energy: -91.347 flat angles C4'-P-C4' energy: -93.257 flat angles P-C4'-P energy: -60.607 tors. eta vs tors. theta energy: -101.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1151.233874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.233874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.233874 (E_RNA) where: Base-Base interactions energy: -717.074 where: short stacking energy: -347.277 Base-Backbone interact. energy: 1.014 local terms energy: -435.173798 where: bonds (distance) C4'-P energy: -82.839 bonds (distance) P-C4' energy: -94.195 flat angles C4'-P-C4' energy: -99.367 flat angles P-C4'-P energy: -63.633 tors. eta vs tors. theta energy: -95.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -974.172047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.172047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.172047 (E_RNA) where: Base-Base interactions energy: -593.723 where: short stacking energy: -290.647 Base-Backbone interact. energy: 0.364 local terms energy: -380.812840 where: bonds (distance) C4'-P energy: -91.126 bonds (distance) P-C4' energy: -88.634 flat angles C4'-P-C4' energy: -89.907 flat angles P-C4'-P energy: -51.567 tors. eta vs tors. theta energy: -59.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -756.708424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.708424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.708424 (E_RNA) where: Base-Base interactions energy: -443.787 where: short stacking energy: -219.459 Base-Backbone interact. energy: -2.685 local terms energy: -310.236596 where: bonds (distance) C4'-P energy: -78.205 bonds (distance) P-C4' energy: -91.123 flat angles C4'-P-C4' energy: -70.940 flat angles P-C4'-P energy: -39.258 tors. eta vs tors. theta energy: -30.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -649.248575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.248575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.248575 (E_RNA) where: Base-Base interactions energy: -340.557 where: short stacking energy: -195.393 Base-Backbone interact. energy: 2.994 local terms energy: -311.685379 where: bonds (distance) C4'-P energy: -63.198 bonds (distance) P-C4' energy: -96.329 flat angles C4'-P-C4' energy: -76.797 flat angles P-C4'-P energy: -53.902 tors. eta vs tors. theta energy: -21.458 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: 5 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -471.898746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.898746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.898746 (E_RNA) where: Base-Base interactions energy: -200.138 where: short stacking energy: -146.344 Base-Backbone interact. energy: 7.455 local terms energy: -279.215951 where: bonds (distance) C4'-P energy: -80.507 bonds (distance) P-C4' energy: -87.894 flat angles C4'-P-C4' energy: -68.204 flat angles P-C4'-P energy: -43.800 tors. eta vs tors. theta energy: 1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -383.529915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.529915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.529915 (E_RNA) where: Base-Base interactions energy: -119.197 where: short stacking energy: -95.305 Base-Backbone interact. energy: 2.667 local terms energy: -266.999540 where: bonds (distance) C4'-P energy: -58.840 bonds (distance) P-C4' energy: -95.897 flat angles C4'-P-C4' energy: -82.171 flat angles P-C4'-P energy: -47.937 tors. eta vs tors. theta energy: 17.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1512.150013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.150013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.150013 (E_RNA) where: Base-Base interactions energy: -990.326 where: short stacking energy: -461.766 Base-Backbone interact. energy: -1.587 local terms energy: -520.236320 where: bonds (distance) C4'-P energy: -90.207 bonds (distance) P-C4' energy: -102.807 flat angles C4'-P-C4' energy: -106.804 flat angles P-C4'-P energy: -82.375 tors. eta vs tors. theta energy: -138.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1409.938343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.938343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.938343 (E_RNA) where: Base-Base interactions energy: -940.155 where: short stacking energy: -391.043 Base-Backbone interact. energy: 1.642 local terms energy: -471.425686 where: bonds (distance) C4'-P energy: -83.613 bonds (distance) P-C4' energy: -104.393 flat angles C4'-P-C4' energy: -100.360 flat angles P-C4'-P energy: -66.562 tors. eta vs tors. theta energy: -116.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1301.081504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.081504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.081504 (E_RNA) where: Base-Base interactions energy: -849.515 where: short stacking energy: -386.941 Base-Backbone interact. energy: -3.341 local terms energy: -448.226006 where: bonds (distance) C4'-P energy: -76.769 bonds (distance) P-C4' energy: -85.291 flat angles C4'-P-C4' energy: -104.663 flat angles P-C4'-P energy: -78.028 tors. eta vs tors. theta energy: -103.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1161.777702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.777702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.777702 (E_RNA) where: Base-Base interactions energy: -769.815 where: short stacking energy: -371.769 Base-Backbone interact. energy: 0.890 local terms energy: -392.852281 where: bonds (distance) C4'-P energy: -89.281 bonds (distance) P-C4' energy: -79.631 flat angles C4'-P-C4' energy: -72.183 flat angles P-C4'-P energy: -60.103 tors. eta vs tors. theta energy: -91.653 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: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1101.609830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.609830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.609830 (E_RNA) where: Base-Base interactions energy: -674.047 where: short stacking energy: -324.697 Base-Backbone interact. energy: 0.925 local terms energy: -428.487431 where: bonds (distance) C4'-P energy: -85.081 bonds (distance) P-C4' energy: -95.787 flat angles C4'-P-C4' energy: -96.155 flat angles P-C4'-P energy: -64.018 tors. eta vs tors. theta energy: -87.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -932.472608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.472608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.472608 (E_RNA) where: Base-Base interactions energy: -572.121 where: short stacking energy: -279.040 Base-Backbone interact. energy: -1.739 local terms energy: -358.612886 where: bonds (distance) C4'-P energy: -78.719 bonds (distance) P-C4' energy: -77.336 flat angles C4'-P-C4' energy: -88.489 flat angles P-C4'-P energy: -58.409 tors. eta vs tors. theta energy: -55.660 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: 7 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -738.670816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.670816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.670816 (E_RNA) where: Base-Base interactions energy: -424.009 where: short stacking energy: -223.735 Base-Backbone interact. energy: 2.008 local terms energy: -316.669585 where: bonds (distance) C4'-P energy: -82.410 bonds (distance) P-C4' energy: -74.154 flat angles C4'-P-C4' energy: -79.373 flat angles P-C4'-P energy: -55.031 tors. eta vs tors. theta energy: -25.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -650.751398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.751398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.751398 (E_RNA) where: Base-Base interactions energy: -317.996 where: short stacking energy: -183.588 Base-Backbone interact. energy: -1.342 local terms energy: -331.413104 where: bonds (distance) C4'-P energy: -95.387 bonds (distance) P-C4' energy: -83.370 flat angles C4'-P-C4' energy: -91.891 flat angles P-C4'-P energy: -41.543 tors. eta vs tors. theta energy: -19.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -409.686953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.686953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.686953 (E_RNA) where: Base-Base interactions energy: -137.681 where: short stacking energy: -112.797 Base-Backbone interact. energy: 4.039 local terms energy: -276.044984 where: bonds (distance) C4'-P energy: -78.105 bonds (distance) P-C4' energy: -90.716 flat angles C4'-P-C4' energy: -57.955 flat angles P-C4'-P energy: -42.232 tors. eta vs tors. theta energy: -7.037 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: 5 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -446.652632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.652632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.652632 (E_RNA) where: Base-Base interactions energy: -201.017 where: short stacking energy: -120.656 Base-Backbone interact. energy: 1.154 local terms energy: -246.789031 where: bonds (distance) C4'-P energy: -84.773 bonds (distance) P-C4' energy: -76.284 flat angles C4'-P-C4' energy: -70.701 flat angles P-C4'-P energy: -33.226 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: 1, replica: 4 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1526.275333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.275333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.275333 (E_RNA) where: Base-Base interactions energy: -1009.799 where: short stacking energy: -482.818 Base-Backbone interact. energy: -2.389 local terms energy: -514.086757 where: bonds (distance) C4'-P energy: -85.250 bonds (distance) P-C4' energy: -98.512 flat angles C4'-P-C4' energy: -109.794 flat angles P-C4'-P energy: -76.417 tors. eta vs tors. theta energy: -144.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1419.164612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.164612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.164612 (E_RNA) where: Base-Base interactions energy: -959.106 where: short stacking energy: -422.202 Base-Backbone interact. energy: -1.472 local terms energy: -458.587409 where: bonds (distance) C4'-P energy: -89.807 bonds (distance) P-C4' energy: -84.517 flat angles C4'-P-C4' energy: -101.282 flat angles P-C4'-P energy: -53.208 tors. eta vs tors. theta energy: -129.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1313.627010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.627010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.627010 (E_RNA) where: Base-Base interactions energy: -862.758 where: short stacking energy: -395.024 Base-Backbone interact. energy: -2.697 local terms energy: -448.172290 where: bonds (distance) C4'-P energy: -91.444 bonds (distance) P-C4' energy: -86.630 flat angles C4'-P-C4' energy: -96.227 flat angles P-C4'-P energy: -58.871 tors. eta vs tors. theta energy: -115.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1167.821164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.821164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.821164 (E_RNA) where: Base-Base interactions energy: -749.278 where: short stacking energy: -335.715 Base-Backbone interact. energy: -1.958 local terms energy: -416.584539 where: bonds (distance) C4'-P energy: -84.875 bonds (distance) P-C4' energy: -93.302 flat angles C4'-P-C4' energy: -98.505 flat angles P-C4'-P energy: -56.630 tors. eta vs tors. theta energy: -83.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1112.273983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.273983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.273983 (E_RNA) where: Base-Base interactions energy: -705.892 where: short stacking energy: -341.770 Base-Backbone interact. energy: -1.333 local terms energy: -405.049142 where: bonds (distance) C4'-P energy: -79.746 bonds (distance) P-C4' energy: -79.901 flat angles C4'-P-C4' energy: -95.267 flat angles P-C4'-P energy: -65.152 tors. eta vs tors. theta energy: -84.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -931.555734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.555734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.555734 (E_RNA) where: Base-Base interactions energy: -565.671 where: short stacking energy: -279.658 Base-Backbone interact. energy: -1.702 local terms energy: -364.182340 where: bonds (distance) C4'-P energy: -84.470 bonds (distance) P-C4' energy: -88.018 flat angles C4'-P-C4' energy: -79.707 flat angles P-C4'-P energy: -49.977 tors. eta vs tors. theta energy: -62.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -774.405000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.405000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.405000 (E_RNA) where: Base-Base interactions energy: -432.457 where: short stacking energy: -231.768 Base-Backbone interact. energy: -1.254 local terms energy: -340.693441 where: bonds (distance) C4'-P energy: -86.991 bonds (distance) P-C4' energy: -85.186 flat angles C4'-P-C4' energy: -75.510 flat angles P-C4'-P energy: -52.099 tors. eta vs tors. theta energy: -40.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -602.166002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.166002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.166002 (E_RNA) where: Base-Base interactions energy: -289.423 where: short stacking energy: -169.289 Base-Backbone interact. energy: 2.524 local terms energy: -315.267737 where: bonds (distance) C4'-P energy: -85.660 bonds (distance) P-C4' energy: -99.577 flat angles C4'-P-C4' energy: -66.802 flat angles P-C4'-P energy: -42.393 tors. eta vs tors. theta energy: -20.836 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: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -459.778995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.778995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.778995 (E_RNA) where: Base-Base interactions energy: -164.313 where: short stacking energy: -116.528 Base-Backbone interact. energy: 1.183 local terms energy: -296.649316 where: bonds (distance) C4'-P energy: -85.157 bonds (distance) P-C4' energy: -92.929 flat angles C4'-P-C4' energy: -67.497 flat angles P-C4'-P energy: -51.315 tors. eta vs tors. theta energy: 0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -373.118070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.118070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.118070 (E_RNA) where: Base-Base interactions energy: -142.936 where: short stacking energy: -114.078 Base-Backbone interact. energy: -0.441 local terms energy: -229.740972 where: bonds (distance) C4'-P energy: -82.801 bonds (distance) P-C4' energy: -89.798 flat angles C4'-P-C4' energy: -58.112 flat angles P-C4'-P energy: -21.791 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: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1513.682392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.682392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.682392 (E_RNA) where: Base-Base interactions energy: -1017.571 where: short stacking energy: -458.837 Base-Backbone interact. energy: 5.845 local terms energy: -501.956010 where: bonds (distance) C4'-P energy: -105.305 bonds (distance) P-C4' energy: -86.622 flat angles C4'-P-C4' energy: -103.091 flat angles P-C4'-P energy: -62.832 tors. eta vs tors. theta energy: -144.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1429.196517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.196517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.196517 (E_RNA) where: Base-Base interactions energy: -953.741 where: short stacking energy: -412.567 Base-Backbone interact. energy: 2.051 local terms energy: -477.506512 where: bonds (distance) C4'-P energy: -82.109 bonds (distance) P-C4' energy: -90.595 flat angles C4'-P-C4' energy: -111.295 flat angles P-C4'-P energy: -76.356 tors. eta vs tors. theta energy: -117.151 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: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1317.236939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.236939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.236939 (E_RNA) where: Base-Base interactions energy: -871.666 where: short stacking energy: -396.717 Base-Backbone interact. energy: -1.045 local terms energy: -444.525804 where: bonds (distance) C4'-P energy: -82.192 bonds (distance) P-C4' energy: -93.279 flat angles C4'-P-C4' energy: -104.723 flat angles P-C4'-P energy: -58.342 tors. eta vs tors. theta energy: -105.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1173.026361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.026361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.026361 (E_RNA) where: Base-Base interactions energy: -777.725 where: short stacking energy: -319.791 Base-Backbone interact. energy: -2.053 local terms energy: -393.248330 where: bonds (distance) C4'-P energy: -85.264 bonds (distance) P-C4' energy: -90.229 flat angles C4'-P-C4' energy: -99.747 flat angles P-C4'-P energy: -43.911 tors. eta vs tors. theta energy: -74.097 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: 226 Temperature: 1.100000 Total energy: -1138.351725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.351725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.351725 (E_RNA) where: Base-Base interactions energy: -729.108 where: short stacking energy: -352.900 Base-Backbone interact. energy: -2.283 local terms energy: -406.961131 where: bonds (distance) C4'-P energy: -78.191 bonds (distance) P-C4' energy: -86.900 flat angles C4'-P-C4' energy: -93.070 flat angles P-C4'-P energy: -54.922 tors. eta vs tors. theta energy: -93.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -881.661945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.661945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.661945 (E_RNA) where: Base-Base interactions energy: -539.034 where: short stacking energy: -281.796 Base-Backbone interact. energy: -2.124 local terms energy: -340.503499 where: bonds (distance) C4'-P energy: -79.235 bonds (distance) P-C4' energy: -85.119 flat angles C4'-P-C4' energy: -82.082 flat angles P-C4'-P energy: -53.534 tors. eta vs tors. theta energy: -40.534 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: 7 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -731.960806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.960806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.960806 (E_RNA) where: Base-Base interactions energy: -407.760 where: short stacking energy: -231.363 Base-Backbone interact. energy: -1.724 local terms energy: -322.476120 where: bonds (distance) C4'-P energy: -72.779 bonds (distance) P-C4' energy: -93.174 flat angles C4'-P-C4' energy: -78.364 flat angles P-C4'-P energy: -38.508 tors. eta vs tors. theta energy: -39.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -580.555982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.555982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.555982 (E_RNA) where: Base-Base interactions energy: -293.681 where: short stacking energy: -177.999 Base-Backbone interact. energy: 0.236 local terms energy: -287.111015 where: bonds (distance) C4'-P energy: -88.331 bonds (distance) P-C4' energy: -80.811 flat angles C4'-P-C4' energy: -80.659 flat angles P-C4'-P energy: -35.279 tors. eta vs tors. theta energy: -2.031 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: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -466.689084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.689084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.689084 (E_RNA) where: Base-Base interactions energy: -174.162 where: short stacking energy: -127.854 Base-Backbone interact. energy: -0.486 local terms energy: -292.041396 where: bonds (distance) C4'-P energy: -82.282 bonds (distance) P-C4' energy: -94.013 flat angles C4'-P-C4' energy: -67.973 flat angles P-C4'-P energy: -45.436 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -421.446767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.446767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.446767 (E_RNA) where: Base-Base interactions energy: -140.950 where: short stacking energy: -123.567 Base-Backbone interact. energy: -2.256 local terms energy: -278.241168 where: bonds (distance) C4'-P energy: -73.633 bonds (distance) P-C4' energy: -87.797 flat angles C4'-P-C4' energy: -71.645 flat angles P-C4'-P energy: -50.589 tors. eta vs tors. theta energy: 5.422 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: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1520.538704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.538704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.538704 (E_RNA) where: Base-Base interactions energy: -1004.144 where: short stacking energy: -471.412 Base-Backbone interact. energy: -1.979 local terms energy: -514.414726 where: bonds (distance) C4'-P energy: -96.318 bonds (distance) P-C4' energy: -101.612 flat angles C4'-P-C4' energy: -110.254 flat angles P-C4'-P energy: -67.385 tors. eta vs tors. theta energy: -138.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1440.052852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.052852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.052852 (E_RNA) where: Base-Base interactions energy: -967.824 where: short stacking energy: -422.972 Base-Backbone interact. energy: -1.552 local terms energy: -470.677197 where: bonds (distance) C4'-P energy: -97.874 bonds (distance) P-C4' energy: -88.711 flat angles C4'-P-C4' energy: -96.659 flat angles P-C4'-P energy: -66.468 tors. eta vs tors. theta energy: -120.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1306.116352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.116352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.116352 (E_RNA) where: Base-Base interactions energy: -839.809 where: short stacking energy: -367.159 Base-Backbone interact. energy: -0.031 local terms energy: -466.275553 where: bonds (distance) C4'-P energy: -100.695 bonds (distance) P-C4' energy: -89.767 flat angles C4'-P-C4' energy: -99.402 flat angles P-C4'-P energy: -66.970 tors. eta vs tors. theta energy: -109.442 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: 10 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1180.323825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.323825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.323825 (E_RNA) where: Base-Base interactions energy: -779.326 where: short stacking energy: -350.425 Base-Backbone interact. energy: -2.146 local terms energy: -398.851388 where: bonds (distance) C4'-P energy: -84.755 bonds (distance) P-C4' energy: -82.078 flat angles C4'-P-C4' energy: -106.660 flat angles P-C4'-P energy: -44.851 tors. eta vs tors. theta energy: -80.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1108.848995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.848995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.848995 (E_RNA) where: Base-Base interactions energy: -715.961 where: short stacking energy: -349.076 Base-Backbone interact. energy: 2.448 local terms energy: -395.336018 where: bonds (distance) C4'-P energy: -90.386 bonds (distance) P-C4' energy: -76.444 flat angles C4'-P-C4' energy: -81.999 flat angles P-C4'-P energy: -57.582 tors. eta vs tors. theta energy: -88.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -951.375351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.375351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.375351 (E_RNA) where: Base-Base interactions energy: -567.422 where: short stacking energy: -264.795 Base-Backbone interact. energy: -0.560 local terms energy: -383.393320 where: bonds (distance) C4'-P energy: -89.137 bonds (distance) P-C4' energy: -100.466 flat angles C4'-P-C4' energy: -83.691 flat angles P-C4'-P energy: -50.745 tors. eta vs tors. theta energy: -59.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -774.496436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.496436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.496436 (E_RNA) where: Base-Base interactions energy: -470.575 where: short stacking energy: -227.012 Base-Backbone interact. energy: 0.316 local terms energy: -304.236970 where: bonds (distance) C4'-P energy: -68.702 bonds (distance) P-C4' energy: -81.458 flat angles C4'-P-C4' energy: -74.371 flat angles P-C4'-P energy: -36.441 tors. eta vs tors. theta energy: -43.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -626.234088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.234088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.234088 (E_RNA) where: Base-Base interactions energy: -332.156 where: short stacking energy: -177.658 Base-Backbone interact. energy: -2.113 local terms energy: -291.965171 where: bonds (distance) C4'-P energy: -70.810 bonds (distance) P-C4' energy: -88.086 flat angles C4'-P-C4' energy: -82.466 flat angles P-C4'-P energy: -48.446 tors. eta vs tors. theta energy: -2.157 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: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -455.301519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.301519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.301519 (E_RNA) where: Base-Base interactions energy: -204.938 where: short stacking energy: -139.256 Base-Backbone interact. energy: -1.709 local terms energy: -248.655397 where: bonds (distance) C4'-P energy: -69.730 bonds (distance) P-C4' energy: -79.989 flat angles C4'-P-C4' energy: -80.188 flat angles P-C4'-P energy: -22.993 tors. eta vs tors. theta energy: 4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -361.961085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.961085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.961085 (E_RNA) where: Base-Base interactions energy: -158.161 where: short stacking energy: -121.447 Base-Backbone interact. energy: 1.087 local terms energy: -204.887251 where: bonds (distance) C4'-P energy: -70.585 bonds (distance) P-C4' energy: -68.207 flat angles C4'-P-C4' energy: -47.032 flat angles P-C4'-P energy: -36.288 tors. eta vs tors. theta energy: 17.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1494.518511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.518511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.518511 (E_RNA) where: Base-Base interactions energy: -989.045 where: short stacking energy: -450.096 Base-Backbone interact. energy: -2.437 local terms energy: -503.036418 where: bonds (distance) C4'-P energy: -92.860 bonds (distance) P-C4' energy: -101.651 flat angles C4'-P-C4' energy: -106.168 flat angles P-C4'-P energy: -67.256 tors. eta vs tors. theta energy: -135.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1448.258686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.258686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.258686 (E_RNA) where: Base-Base interactions energy: -952.952 where: short stacking energy: -423.165 Base-Backbone interact. energy: -1.014 local terms energy: -494.292395 where: bonds (distance) C4'-P energy: -98.497 bonds (distance) P-C4' energy: -101.647 flat angles C4'-P-C4' energy: -105.159 flat angles P-C4'-P energy: -66.781 tors. eta vs tors. theta energy: -122.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1360.769319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.769319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.769319 (E_RNA) where: Base-Base interactions energy: -918.958 where: short stacking energy: -428.833 Base-Backbone interact. energy: -0.822 local terms energy: -440.988937 where: bonds (distance) C4'-P energy: -84.051 bonds (distance) P-C4' energy: -81.048 flat angles C4'-P-C4' energy: -103.162 flat angles P-C4'-P energy: -62.572 tors. eta vs tors. theta energy: -110.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1230.266286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.266286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.266286 (E_RNA) where: Base-Base interactions energy: -817.858 where: short stacking energy: -397.293 Base-Backbone interact. energy: -1.025 local terms energy: -411.383400 where: bonds (distance) C4'-P energy: -75.831 bonds (distance) P-C4' energy: -99.974 flat angles C4'-P-C4' energy: -91.699 flat angles P-C4'-P energy: -49.534 tors. eta vs tors. theta energy: -94.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1095.023205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.023205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.023205 (E_RNA) where: Base-Base interactions energy: -687.369 where: short stacking energy: -307.403 Base-Backbone interact. energy: -2.180 local terms energy: -405.474109 where: bonds (distance) C4'-P energy: -80.430 bonds (distance) P-C4' energy: -97.676 flat angles C4'-P-C4' energy: -88.185 flat angles P-C4'-P energy: -60.527 tors. eta vs tors. theta energy: -78.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -944.071087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.071087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.071087 (E_RNA) where: Base-Base interactions energy: -585.270 where: short stacking energy: -279.733 Base-Backbone interact. energy: 2.521 local terms energy: -361.321307 where: bonds (distance) C4'-P energy: -86.576 bonds (distance) P-C4' energy: -91.081 flat angles C4'-P-C4' energy: -81.454 flat angles P-C4'-P energy: -45.725 tors. eta vs tors. theta energy: -56.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -798.015480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.015480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.015480 (E_RNA) where: Base-Base interactions energy: -470.136 where: short stacking energy: -226.069 Base-Backbone interact. energy: -0.163 local terms energy: -327.716243 where: bonds (distance) C4'-P energy: -85.990 bonds (distance) P-C4' energy: -84.426 flat angles C4'-P-C4' energy: -80.051 flat angles P-C4'-P energy: -46.183 tors. eta vs tors. theta energy: -31.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -550.992733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.992733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.992733 (E_RNA) where: Base-Base interactions energy: -256.283 where: short stacking energy: -162.940 Base-Backbone interact. energy: 0.154 local terms energy: -294.862914 where: bonds (distance) C4'-P energy: -77.225 bonds (distance) P-C4' energy: -80.979 flat angles C4'-P-C4' energy: -70.262 flat angles P-C4'-P energy: -47.948 tors. eta vs tors. theta energy: -18.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -393.810227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.810227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.810227 (E_RNA) where: Base-Base interactions energy: -137.819 where: short stacking energy: -119.719 Base-Backbone interact. energy: -0.883 local terms energy: -255.108204 where: bonds (distance) C4'-P energy: -70.530 bonds (distance) P-C4' energy: -84.957 flat angles C4'-P-C4' energy: -79.560 flat angles P-C4'-P energy: -27.889 tors. eta vs tors. theta energy: 7.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -402.233005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.233005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.233005 (E_RNA) where: Base-Base interactions energy: -130.459 where: short stacking energy: -114.401 Base-Backbone interact. energy: -2.005 local terms energy: -269.768905 where: bonds (distance) C4'-P energy: -71.584 bonds (distance) P-C4' energy: -86.201 flat angles C4'-P-C4' energy: -77.160 flat angles P-C4'-P energy: -38.299 tors. eta vs tors. theta energy: 3.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1553.128964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.128964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.128964 (E_RNA) where: Base-Base interactions energy: -1036.989 where: short stacking energy: -484.310 Base-Backbone interact. energy: -0.077 local terms energy: -516.062390 where: bonds (distance) C4'-P energy: -104.853 bonds (distance) P-C4' energy: -87.161 flat angles C4'-P-C4' energy: -109.353 flat angles P-C4'-P energy: -67.794 tors. eta vs tors. theta energy: -146.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1449.932665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.932665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.932665 (E_RNA) where: Base-Base interactions energy: -966.567 where: short stacking energy: -431.359 Base-Backbone interact. energy: -0.297 local terms energy: -483.068620 where: bonds (distance) C4'-P energy: -89.020 bonds (distance) P-C4' energy: -91.144 flat angles C4'-P-C4' energy: -107.858 flat angles P-C4'-P energy: -63.483 tors. eta vs tors. theta energy: -131.565 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: 6 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1327.088839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.088839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.088839 (E_RNA) where: Base-Base interactions energy: -856.318 where: short stacking energy: -429.832 Base-Backbone interact. energy: 0.103 local terms energy: -470.873111 where: bonds (distance) C4'-P energy: -88.693 bonds (distance) P-C4' energy: -90.284 flat angles C4'-P-C4' energy: -101.861 flat angles P-C4'-P energy: -68.528 tors. eta vs tors. theta energy: -121.507 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: 10 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1236.513333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.513333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.513333 (E_RNA) where: Base-Base interactions energy: -792.408 where: short stacking energy: -381.667 Base-Backbone interact. energy: -2.506 local terms energy: -441.599173 where: bonds (distance) C4'-P energy: -71.325 bonds (distance) P-C4' energy: -101.602 flat angles C4'-P-C4' energy: -105.722 flat angles P-C4'-P energy: -63.761 tors. eta vs tors. theta energy: -99.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1132.056423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.056423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.056423 (E_RNA) where: Base-Base interactions energy: -722.060 where: short stacking energy: -335.322 Base-Backbone interact. energy: -1.570 local terms energy: -408.425926 where: bonds (distance) C4'-P energy: -75.660 bonds (distance) P-C4' energy: -89.372 flat angles C4'-P-C4' energy: -96.971 flat angles P-C4'-P energy: -54.115 tors. eta vs tors. theta energy: -92.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -969.563653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.563653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.563653 (E_RNA) where: Base-Base interactions energy: -592.827 where: short stacking energy: -294.722 Base-Backbone interact. energy: -1.972 local terms energy: -374.764276 where: bonds (distance) C4'-P energy: -85.146 bonds (distance) P-C4' energy: -81.203 flat angles C4'-P-C4' energy: -91.497 flat angles P-C4'-P energy: -53.978 tors. eta vs tors. theta energy: -62.939 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: 7 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -769.341264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.341264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.341264 (E_RNA) where: Base-Base interactions energy: -414.848 where: short stacking energy: -192.150 Base-Backbone interact. energy: 0.780 local terms energy: -355.273512 where: bonds (distance) C4'-P energy: -79.669 bonds (distance) P-C4' energy: -97.902 flat angles C4'-P-C4' energy: -85.658 flat angles P-C4'-P energy: -51.069 tors. eta vs tors. theta energy: -40.976 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: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -557.889262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.889262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.889262 (E_RNA) where: Base-Base interactions energy: -258.167 where: short stacking energy: -149.036 Base-Backbone interact. energy: -0.522 local terms energy: -299.200780 where: bonds (distance) C4'-P energy: -84.869 bonds (distance) P-C4' energy: -81.080 flat angles C4'-P-C4' energy: -74.481 flat angles P-C4'-P energy: -48.247 tors. eta vs tors. theta energy: -10.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -408.146761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.146761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.146761 (E_RNA) where: Base-Base interactions energy: -164.203 where: short stacking energy: -137.572 Base-Backbone interact. energy: 1.147 local terms energy: -245.090771 where: bonds (distance) C4'-P energy: -81.318 bonds (distance) P-C4' energy: -76.859 flat angles C4'-P-C4' energy: -63.402 flat angles P-C4'-P energy: -33.048 tors. eta vs tors. theta energy: 9.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -372.093278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.093278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.093278 (E_RNA) where: Base-Base interactions energy: -142.609 where: short stacking energy: -92.563 Base-Backbone interact. energy: -1.107 local terms energy: -228.377451 where: bonds (distance) C4'-P energy: -78.866 bonds (distance) P-C4' energy: -71.964 flat angles C4'-P-C4' energy: -72.623 flat angles P-C4'-P energy: -26.681 tors. eta vs tors. theta energy: 21.756 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: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1512.083505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.083505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.083505 (E_RNA) where: Base-Base interactions energy: -999.676 where: short stacking energy: -490.528 Base-Backbone interact. energy: -0.186 local terms energy: -512.221624 where: bonds (distance) C4'-P energy: -93.616 bonds (distance) P-C4' energy: -97.707 flat angles C4'-P-C4' energy: -100.829 flat angles P-C4'-P energy: -72.151 tors. eta vs tors. theta energy: -147.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1453.218847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.218847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.218847 (E_RNA) where: Base-Base interactions energy: -987.264 where: short stacking energy: -442.595 Base-Backbone interact. energy: -2.506 local terms energy: -463.449038 where: bonds (distance) C4'-P energy: -87.233 bonds (distance) P-C4' energy: -93.067 flat angles C4'-P-C4' energy: -98.165 flat angles P-C4'-P energy: -61.349 tors. eta vs tors. theta energy: -123.636 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: 6 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1290.721555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.721555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.721555 (E_RNA) where: Base-Base interactions energy: -852.666 where: short stacking energy: -396.553 Base-Backbone interact. energy: -2.157 local terms energy: -435.898179 where: bonds (distance) C4'-P energy: -84.961 bonds (distance) P-C4' energy: -85.920 flat angles C4'-P-C4' energy: -83.201 flat angles P-C4'-P energy: -70.934 tors. eta vs tors. theta energy: -110.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1211.481385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.481385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.481385 (E_RNA) where: Base-Base interactions energy: -798.918 where: short stacking energy: -378.013 Base-Backbone interact. energy: -0.001 local terms energy: -412.562487 where: bonds (distance) C4'-P energy: -92.151 bonds (distance) P-C4' energy: -79.285 flat angles C4'-P-C4' energy: -101.158 flat angles P-C4'-P energy: -52.306 tors. eta vs tors. theta energy: -87.662 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: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1133.427954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.427954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.427954 (E_RNA) where: Base-Base interactions energy: -712.378 where: short stacking energy: -327.633 Base-Backbone interact. energy: -1.904 local terms energy: -419.146059 where: bonds (distance) C4'-P energy: -77.698 bonds (distance) P-C4' energy: -103.914 flat angles C4'-P-C4' energy: -94.097 flat angles P-C4'-P energy: -53.842 tors. eta vs tors. theta energy: -89.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -978.393680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.393680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.393680 (E_RNA) where: Base-Base interactions energy: -608.920 where: short stacking energy: -309.048 Base-Backbone interact. energy: 2.650 local terms energy: -372.124096 where: bonds (distance) C4'-P energy: -83.064 bonds (distance) P-C4' energy: -84.055 flat angles C4'-P-C4' energy: -81.807 flat angles P-C4'-P energy: -59.558 tors. eta vs tors. theta energy: -63.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -782.083512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.083512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.083512 (E_RNA) where: Base-Base interactions energy: -462.527 where: short stacking energy: -257.378 Base-Backbone interact. energy: -2.130 local terms energy: -317.426394 where: bonds (distance) C4'-P energy: -71.297 bonds (distance) P-C4' energy: -95.972 flat angles C4'-P-C4' energy: -74.545 flat angles P-C4'-P energy: -47.877 tors. eta vs tors. theta energy: -27.735 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: 230 Temperature: 1.250000 Total energy: -549.517380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.517380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.517380 (E_RNA) where: Base-Base interactions energy: -281.273 where: short stacking energy: -179.575 Base-Backbone interact. energy: -1.454 local terms energy: -266.790701 where: bonds (distance) C4'-P energy: -86.548 bonds (distance) P-C4' energy: -78.484 flat angles C4'-P-C4' energy: -61.492 flat angles P-C4'-P energy: -31.540 tors. eta vs tors. theta energy: -8.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -416.221771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.221771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.221771 (E_RNA) where: Base-Base interactions energy: -145.243 where: short stacking energy: -123.636 Base-Backbone interact. energy: 1.227 local terms energy: -272.206036 where: bonds (distance) C4'-P energy: -80.534 bonds (distance) P-C4' energy: -91.491 flat angles C4'-P-C4' energy: -62.695 flat angles P-C4'-P energy: -36.061 tors. eta vs tors. theta energy: -1.425 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: 5 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -383.868859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.868859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.868859 (E_RNA) where: Base-Base interactions energy: -132.702 where: short stacking energy: -113.290 Base-Backbone interact. energy: -2.477 local terms energy: -248.690125 where: bonds (distance) C4'-P energy: -70.382 bonds (distance) P-C4' energy: -75.597 flat angles C4'-P-C4' energy: -72.590 flat angles P-C4'-P energy: -39.801 tors. eta vs tors. theta energy: 9.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1497.692132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.692132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.692132 (E_RNA) where: Base-Base interactions energy: -974.022 where: short stacking energy: -453.739 Base-Backbone interact. energy: -2.583 local terms energy: -521.087215 where: bonds (distance) C4'-P energy: -104.594 bonds (distance) P-C4' energy: -97.618 flat angles C4'-P-C4' energy: -107.469 flat angles P-C4'-P energy: -74.111 tors. eta vs tors. theta energy: -137.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1441.122324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.122324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.122324 (E_RNA) where: Base-Base interactions energy: -956.949 where: short stacking energy: -412.330 Base-Backbone interact. energy: -4.313 local terms energy: -479.859864 where: bonds (distance) C4'-P energy: -85.527 bonds (distance) P-C4' energy: -90.464 flat angles C4'-P-C4' energy: -99.979 flat angles P-C4'-P energy: -77.714 tors. eta vs tors. theta energy: -126.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1321.867041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.867041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.867041 (E_RNA) where: Base-Base interactions energy: -867.567 where: short stacking energy: -392.199 Base-Backbone interact. energy: 0.084 local terms energy: -454.383618 where: bonds (distance) C4'-P energy: -82.618 bonds (distance) P-C4' energy: -102.919 flat angles C4'-P-C4' energy: -106.163 flat angles P-C4'-P energy: -59.157 tors. eta vs tors. theta energy: -103.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1174.287388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.287388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.287388 (E_RNA) where: Base-Base interactions energy: -722.180 where: short stacking energy: -363.495 Base-Backbone interact. energy: -1.327 local terms energy: -450.780785 where: bonds (distance) C4'-P energy: -89.213 bonds (distance) P-C4' energy: -90.231 flat angles C4'-P-C4' energy: -98.603 flat angles P-C4'-P energy: -70.994 tors. eta vs tors. theta energy: -101.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1185.916350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.916350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.916350 (E_RNA) where: Base-Base interactions energy: -742.453 where: short stacking energy: -325.462 Base-Backbone interact. energy: -2.574 local terms energy: -440.888872 where: bonds (distance) C4'-P energy: -99.575 bonds (distance) P-C4' energy: -98.343 flat angles C4'-P-C4' energy: -90.171 flat angles P-C4'-P energy: -65.956 tors. eta vs tors. theta energy: -86.843 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: 3 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -930.260396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.260396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.260396 (E_RNA) where: Base-Base interactions energy: -564.041 where: short stacking energy: -280.921 Base-Backbone interact. energy: 4.838 local terms energy: -371.057439 where: bonds (distance) C4'-P energy: -88.813 bonds (distance) P-C4' energy: -96.491 flat angles C4'-P-C4' energy: -69.510 flat angles P-C4'-P energy: -61.004 tors. eta vs tors. theta energy: -55.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -795.859950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.859950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.859950 (E_RNA) where: Base-Base interactions energy: -467.672 where: short stacking energy: -241.024 Base-Backbone interact. energy: -1.528 local terms energy: -326.659762 where: bonds (distance) C4'-P energy: -85.421 bonds (distance) P-C4' energy: -83.058 flat angles C4'-P-C4' energy: -68.341 flat angles P-C4'-P energy: -43.416 tors. eta vs tors. theta energy: -46.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -558.057945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.057945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.057945 (E_RNA) where: Base-Base interactions energy: -265.723 where: short stacking energy: -164.330 Base-Backbone interact. energy: 5.725 local terms energy: -298.059208 where: bonds (distance) C4'-P energy: -71.615 bonds (distance) P-C4' energy: -82.886 flat angles C4'-P-C4' energy: -74.604 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: -19.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -395.890069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.890069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.890069 (E_RNA) where: Base-Base interactions energy: -151.826 where: short stacking energy: -139.248 Base-Backbone interact. energy: -1.912 local terms energy: -242.152688 where: bonds (distance) C4'-P energy: -81.082 bonds (distance) P-C4' energy: -76.739 flat angles C4'-P-C4' energy: -46.239 flat angles P-C4'-P energy: -50.416 tors. eta vs tors. theta energy: 12.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -384.251760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.251760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.251760 (E_RNA) where: Base-Base interactions energy: -135.506 where: short stacking energy: -120.109 Base-Backbone interact. energy: -0.365 local terms energy: -248.381041 where: bonds (distance) C4'-P energy: -48.521 bonds (distance) P-C4' energy: -75.711 flat angles C4'-P-C4' energy: -70.918 flat angles P-C4'-P energy: -44.553 tors. eta vs tors. theta energy: -8.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1507.972444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.972444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.972444 (E_RNA) where: Base-Base interactions energy: -987.289 where: short stacking energy: -467.332 Base-Backbone interact. energy: -1.905 local terms energy: -518.778240 where: bonds (distance) C4'-P energy: -92.820 bonds (distance) P-C4' energy: -96.033 flat angles C4'-P-C4' energy: -116.472 flat angles P-C4'-P energy: -69.500 tors. eta vs tors. theta energy: -143.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1466.137860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.137860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.137860 (E_RNA) where: Base-Base interactions energy: -993.131 where: short stacking energy: -426.503 Base-Backbone interact. energy: -2.817 local terms energy: -470.189130 where: bonds (distance) C4'-P energy: -91.691 bonds (distance) P-C4' energy: -93.570 flat angles C4'-P-C4' energy: -104.326 flat angles P-C4'-P energy: -61.997 tors. eta vs tors. theta energy: -118.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1286.593274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.593274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.593274 (E_RNA) where: Base-Base interactions energy: -834.135 where: short stacking energy: -385.994 Base-Backbone interact. energy: -3.106 local terms energy: -449.352189 where: bonds (distance) C4'-P energy: -89.809 bonds (distance) P-C4' energy: -96.468 flat angles C4'-P-C4' energy: -104.025 flat angles P-C4'-P energy: -61.763 tors. eta vs tors. theta energy: -97.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1144.584540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.584540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.584540 (E_RNA) where: Base-Base interactions energy: -718.198 where: short stacking energy: -346.821 Base-Backbone interact. energy: 3.623 local terms energy: -430.008819 where: bonds (distance) C4'-P energy: -94.178 bonds (distance) P-C4' energy: -80.425 flat angles C4'-P-C4' energy: -106.212 flat angles P-C4'-P energy: -58.962 tors. eta vs tors. theta energy: -90.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1192.724708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.724708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.724708 (E_RNA) where: Base-Base interactions energy: -770.686 where: short stacking energy: -356.591 Base-Backbone interact. energy: -0.612 local terms energy: -421.426660 where: bonds (distance) C4'-P energy: -82.934 bonds (distance) P-C4' energy: -83.102 flat angles C4'-P-C4' energy: -90.074 flat angles P-C4'-P energy: -69.830 tors. eta vs tors. theta energy: -95.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -902.800547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.800547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.800547 (E_RNA) where: Base-Base interactions energy: -545.308 where: short stacking energy: -262.294 Base-Backbone interact. energy: -1.228 local terms energy: -356.264547 where: bonds (distance) C4'-P energy: -89.346 bonds (distance) P-C4' energy: -85.717 flat angles C4'-P-C4' energy: -83.949 flat angles P-C4'-P energy: -46.679 tors. eta vs tors. theta energy: -50.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -753.856434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.856434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.856434 (E_RNA) where: Base-Base interactions energy: -443.268 where: short stacking energy: -236.543 Base-Backbone interact. energy: -1.037 local terms energy: -309.551115 where: bonds (distance) C4'-P energy: -84.329 bonds (distance) P-C4' energy: -77.278 flat angles C4'-P-C4' energy: -88.860 flat angles P-C4'-P energy: -24.574 tors. eta vs tors. theta energy: -34.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -591.895454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.895454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.895454 (E_RNA) where: Base-Base interactions energy: -303.129 where: short stacking energy: -171.538 Base-Backbone interact. energy: 1.392 local terms energy: -290.158403 where: bonds (distance) C4'-P energy: -81.227 bonds (distance) P-C4' energy: -94.643 flat angles C4'-P-C4' energy: -61.816 flat angles P-C4'-P energy: -42.096 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: 9, replica: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -405.356073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.356073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.356073 (E_RNA) where: Base-Base interactions energy: -136.978 where: short stacking energy: -121.616 Base-Backbone interact. energy: 5.495 local terms energy: -273.873603 where: bonds (distance) C4'-P energy: -84.503 bonds (distance) P-C4' energy: -86.387 flat angles C4'-P-C4' energy: -59.471 flat angles P-C4'-P energy: -44.535 tors. eta vs tors. theta energy: 1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -416.148792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.148792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.148792 (E_RNA) where: Base-Base interactions energy: -169.895 where: short stacking energy: -124.051 Base-Backbone interact. energy: 2.777 local terms energy: -249.030585 where: bonds (distance) C4'-P energy: -91.221 bonds (distance) P-C4' energy: -78.096 flat angles C4'-P-C4' energy: -60.276 flat angles P-C4'-P energy: -28.895 tors. eta vs tors. theta energy: 9.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1501.406273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.406273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.406273 (E_RNA) where: Base-Base interactions energy: -983.150 where: short stacking energy: -477.128 Base-Backbone interact. energy: -1.044 local terms energy: -517.211989 where: bonds (distance) C4'-P energy: -91.203 bonds (distance) P-C4' energy: -92.578 flat angles C4'-P-C4' energy: -113.781 flat angles P-C4'-P energy: -74.201 tors. eta vs tors. theta energy: -145.449 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: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1468.602477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.602477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.602477 (E_RNA) where: Base-Base interactions energy: -969.075 where: short stacking energy: -413.266 Base-Backbone interact. energy: -2.537 local terms energy: -496.990117 where: bonds (distance) C4'-P energy: -93.271 bonds (distance) P-C4' energy: -95.525 flat angles C4'-P-C4' energy: -111.381 flat angles P-C4'-P energy: -66.677 tors. eta vs tors. theta energy: -130.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1263.455214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.455214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.455214 (E_RNA) where: Base-Base interactions energy: -837.365 where: short stacking energy: -365.596 Base-Backbone interact. energy: -3.326 local terms energy: -422.763682 where: bonds (distance) C4'-P energy: -79.188 bonds (distance) P-C4' energy: -97.312 flat angles C4'-P-C4' energy: -88.680 flat angles P-C4'-P energy: -68.438 tors. eta vs tors. theta energy: -89.145 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: 10 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1201.313996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.313996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.313996 (E_RNA) where: Base-Base interactions energy: -779.554 where: short stacking energy: -353.379 Base-Backbone interact. energy: -1.516 local terms energy: -420.244420 where: bonds (distance) C4'-P energy: -81.024 bonds (distance) P-C4' energy: -82.802 flat angles C4'-P-C4' energy: -96.298 flat angles P-C4'-P energy: -64.327 tors. eta vs tors. theta energy: -95.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1080.016275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.016275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.016275 (E_RNA) where: Base-Base interactions energy: -687.411 where: short stacking energy: -313.799 Base-Backbone interact. energy: 0.996 local terms energy: -393.601664 where: bonds (distance) C4'-P energy: -76.938 bonds (distance) P-C4' energy: -79.473 flat angles C4'-P-C4' energy: -93.508 flat angles P-C4'-P energy: -67.279 tors. eta vs tors. theta energy: -76.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -965.731024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.731024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.731024 (E_RNA) where: Base-Base interactions energy: -574.663 where: short stacking energy: -295.130 Base-Backbone interact. energy: 2.620 local terms energy: -393.688153 where: bonds (distance) C4'-P energy: -101.993 bonds (distance) P-C4' energy: -82.173 flat angles C4'-P-C4' energy: -89.250 flat angles P-C4'-P energy: -44.283 tors. eta vs tors. theta energy: -75.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -762.626133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.626133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.626133 (E_RNA) where: Base-Base interactions energy: -429.326 where: short stacking energy: -233.021 Base-Backbone interact. energy: -0.452 local terms energy: -332.848195 where: bonds (distance) C4'-P energy: -83.414 bonds (distance) P-C4' energy: -74.743 flat angles C4'-P-C4' energy: -87.683 flat angles P-C4'-P energy: -50.922 tors. eta vs tors. theta energy: -36.086 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: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -568.456891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.456891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.456891 (E_RNA) where: Base-Base interactions energy: -263.933 where: short stacking energy: -187.319 Base-Backbone interact. energy: -3.430 local terms energy: -301.094185 where: bonds (distance) C4'-P energy: -74.218 bonds (distance) P-C4' energy: -79.695 flat angles C4'-P-C4' energy: -82.905 flat angles P-C4'-P energy: -51.624 tors. eta vs tors. theta energy: -12.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -460.538249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.538249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.538249 (E_RNA) where: Base-Base interactions energy: -159.477 where: short stacking energy: -133.943 Base-Backbone interact. energy: 2.892 local terms energy: -303.953230 where: bonds (distance) C4'-P energy: -83.419 bonds (distance) P-C4' energy: -88.301 flat angles C4'-P-C4' energy: -87.884 flat angles P-C4'-P energy: -53.593 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: 10, replica: 5 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -447.436040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.436040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.436040 (E_RNA) where: Base-Base interactions energy: -198.334 where: short stacking energy: -100.691 Base-Backbone interact. energy: -0.770 local terms energy: -248.332457 where: bonds (distance) C4'-P energy: -66.262 bonds (distance) P-C4' energy: -71.329 flat angles C4'-P-C4' energy: -70.508 flat angles P-C4'-P energy: -52.261 tors. eta vs tors. theta energy: 12.028 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: 4 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1521.179930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.179930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.179930 (E_RNA) where: Base-Base interactions energy: -1010.897 where: short stacking energy: -457.765 Base-Backbone interact. energy: -1.480 local terms energy: -508.802515 where: bonds (distance) C4'-P energy: -100.187 bonds (distance) P-C4' energy: -103.128 flat angles C4'-P-C4' energy: -107.515 flat angles P-C4'-P energy: -63.426 tors. eta vs tors. theta energy: -134.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1442.943502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.943502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.943502 (E_RNA) where: Base-Base interactions energy: -967.996 where: short stacking energy: -427.697 Base-Backbone interact. energy: -1.387 local terms energy: -473.560397 where: bonds (distance) C4'-P energy: -93.082 bonds (distance) P-C4' energy: -89.434 flat angles C4'-P-C4' energy: -108.463 flat angles P-C4'-P energy: -63.113 tors. eta vs tors. theta energy: -119.468 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: 3, replica: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1308.730131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.730131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.730131 (E_RNA) where: Base-Base interactions energy: -863.747 where: short stacking energy: -409.347 Base-Backbone interact. energy: -1.257 local terms energy: -443.725486 where: bonds (distance) C4'-P energy: -88.425 bonds (distance) P-C4' energy: -82.240 flat angles C4'-P-C4' energy: -98.851 flat angles P-C4'-P energy: -67.714 tors. eta vs tors. theta energy: -106.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1255.252870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.252870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.252870 (E_RNA) where: Base-Base interactions energy: -802.250 where: short stacking energy: -371.967 Base-Backbone interact. energy: -0.107 local terms energy: -452.896163 where: bonds (distance) C4'-P energy: -102.017 bonds (distance) P-C4' energy: -87.917 flat angles C4'-P-C4' energy: -96.545 flat angles P-C4'-P energy: -62.305 tors. eta vs tors. theta energy: -104.112 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: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1113.705391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.705391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.705391 (E_RNA) where: Base-Base interactions energy: -691.522 where: short stacking energy: -329.554 Base-Backbone interact. energy: -1.144 local terms energy: -421.039269 where: bonds (distance) C4'-P energy: -77.707 bonds (distance) P-C4' energy: -96.892 flat angles C4'-P-C4' energy: -94.231 flat angles P-C4'-P energy: -56.834 tors. eta vs tors. theta energy: -95.375 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: 3 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -910.166334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.166334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.166334 (E_RNA) where: Base-Base interactions energy: -546.586 where: short stacking energy: -266.037 Base-Backbone interact. energy: -0.820 local terms energy: -362.760142 where: bonds (distance) C4'-P energy: -77.991 bonds (distance) P-C4' energy: -86.211 flat angles C4'-P-C4' energy: -87.547 flat angles P-C4'-P energy: -50.474 tors. eta vs tors. theta energy: -60.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -767.365302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.365302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.365302 (E_RNA) where: Base-Base interactions energy: -441.353 where: short stacking energy: -222.292 Base-Backbone interact. energy: -1.079 local terms energy: -324.933003 where: bonds (distance) C4'-P energy: -78.122 bonds (distance) P-C4' energy: -91.528 flat angles C4'-P-C4' energy: -79.382 flat angles P-C4'-P energy: -45.808 tors. eta vs tors. theta energy: -30.093 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: 9 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -495.745177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.745177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.745177 (E_RNA) where: Base-Base interactions energy: -217.422 where: short stacking energy: -152.709 Base-Backbone interact. energy: -0.229 local terms energy: -278.094331 where: bonds (distance) C4'-P energy: -71.955 bonds (distance) P-C4' energy: -82.916 flat angles C4'-P-C4' energy: -68.568 flat angles P-C4'-P energy: -39.327 tors. eta vs tors. theta energy: -15.329 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: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -402.552158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.552158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.552158 (E_RNA) where: Base-Base interactions energy: -142.856 where: short stacking energy: -119.437 Base-Backbone interact. energy: 3.568 local terms energy: -263.263359 where: bonds (distance) C4'-P energy: -72.939 bonds (distance) P-C4' energy: -83.694 flat angles C4'-P-C4' energy: -66.752 flat angles P-C4'-P energy: -48.352 tors. eta vs tors. theta energy: 8.474 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: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -399.407928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.407928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.407928 (E_RNA) where: Base-Base interactions energy: -156.190 where: short stacking energy: -105.056 Base-Backbone interact. energy: 6.951 local terms energy: -250.169526 where: bonds (distance) C4'-P energy: -80.059 bonds (distance) P-C4' energy: -68.581 flat angles C4'-P-C4' energy: -73.826 flat angles P-C4'-P energy: -46.640 tors. eta vs tors. theta energy: 18.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1513.440403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.440403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.440403 (E_RNA) where: Base-Base interactions energy: -1003.896 where: short stacking energy: -476.985 Base-Backbone interact. energy: -1.708 local terms energy: -507.836274 where: bonds (distance) C4'-P energy: -96.060 bonds (distance) P-C4' energy: -98.166 flat angles C4'-P-C4' energy: -95.809 flat angles P-C4'-P energy: -80.502 tors. eta vs tors. theta energy: -137.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1443.206736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.206736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.206736 (E_RNA) where: Base-Base interactions energy: -957.753 where: short stacking energy: -423.779 Base-Backbone interact. energy: -2.082 local terms energy: -483.371337 where: bonds (distance) C4'-P energy: -88.398 bonds (distance) P-C4' energy: -104.063 flat angles C4'-P-C4' energy: -101.566 flat angles P-C4'-P energy: -68.062 tors. eta vs tors. theta energy: -121.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1335.041380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.041380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.041380 (E_RNA) where: Base-Base interactions energy: -864.521 where: short stacking energy: -385.279 Base-Backbone interact. energy: -0.282 local terms energy: -470.237953 where: bonds (distance) C4'-P energy: -90.467 bonds (distance) P-C4' energy: -97.039 flat angles C4'-P-C4' energy: -100.771 flat angles P-C4'-P energy: -64.749 tors. eta vs tors. theta energy: -117.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1238.583001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.583001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.583001 (E_RNA) where: Base-Base interactions energy: -788.564 where: short stacking energy: -369.207 Base-Backbone interact. energy: -0.273 local terms energy: -449.746118 where: bonds (distance) C4'-P energy: -83.303 bonds (distance) P-C4' energy: -100.527 flat angles C4'-P-C4' energy: -100.403 flat angles P-C4'-P energy: -59.285 tors. eta vs tors. theta energy: -106.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1141.705861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.705861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.705861 (E_RNA) where: Base-Base interactions energy: -721.567 where: short stacking energy: -341.232 Base-Backbone interact. energy: 2.213 local terms energy: -422.351325 where: bonds (distance) C4'-P energy: -81.703 bonds (distance) P-C4' energy: -92.121 flat angles C4'-P-C4' energy: -87.047 flat angles P-C4'-P energy: -66.638 tors. eta vs tors. theta energy: -94.842 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: 3 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -913.930726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.930726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.930726 (E_RNA) where: Base-Base interactions energy: -539.591 where: short stacking energy: -244.019 Base-Backbone interact. energy: 2.759 local terms energy: -377.099188 where: bonds (distance) C4'-P energy: -84.717 bonds (distance) P-C4' energy: -93.054 flat angles C4'-P-C4' energy: -88.832 flat angles P-C4'-P energy: -53.019 tors. eta vs tors. theta energy: -57.476 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: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -761.635701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.635701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.635701 (E_RNA) where: Base-Base interactions energy: -415.191 where: short stacking energy: -208.150 Base-Backbone interact. energy: 0.009 local terms energy: -346.453266 where: bonds (distance) C4'-P energy: -78.391 bonds (distance) P-C4' energy: -95.767 flat angles C4'-P-C4' energy: -85.396 flat angles P-C4'-P energy: -56.052 tors. eta vs tors. theta energy: -30.847 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: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -571.203722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.203722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.203722 (E_RNA) where: Base-Base interactions energy: -261.180 where: short stacking energy: -154.405 Base-Backbone interact. energy: -2.973 local terms energy: -307.050441 where: bonds (distance) C4'-P energy: -73.077 bonds (distance) P-C4' energy: -76.310 flat angles C4'-P-C4' energy: -91.010 flat angles P-C4'-P energy: -49.491 tors. eta vs tors. theta energy: -17.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -408.195546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.195546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.195546 (E_RNA) where: Base-Base interactions energy: -145.974 where: short stacking energy: -105.423 Base-Backbone interact. energy: -1.268 local terms energy: -260.953548 where: bonds (distance) C4'-P energy: -71.790 bonds (distance) P-C4' energy: -97.019 flat angles C4'-P-C4' energy: -72.248 flat angles P-C4'-P energy: -40.652 tors. eta vs tors. theta energy: 20.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -396.841199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.841199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.841199 (E_RNA) where: Base-Base interactions energy: -132.837 where: short stacking energy: -117.778 Base-Backbone interact. energy: -0.393 local terms energy: -263.610761 where: bonds (distance) C4'-P energy: -70.264 bonds (distance) P-C4' energy: -80.263 flat angles C4'-P-C4' energy: -74.920 flat angles P-C4'-P energy: -41.434 tors. eta vs tors. theta energy: 3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1496.983174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.983174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.983174 (E_RNA) where: Base-Base interactions energy: -989.386 where: short stacking energy: -456.487 Base-Backbone interact. energy: -0.623 local terms energy: -506.974282 where: bonds (distance) C4'-P energy: -82.751 bonds (distance) P-C4' energy: -106.714 flat angles C4'-P-C4' energy: -110.911 flat angles P-C4'-P energy: -76.557 tors. eta vs tors. theta energy: -130.042 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: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1452.735598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.735598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.735598 (E_RNA) where: Base-Base interactions energy: -965.506 where: short stacking energy: -433.642 Base-Backbone interact. energy: -2.019 local terms energy: -485.210700 where: bonds (distance) C4'-P energy: -100.801 bonds (distance) P-C4' energy: -99.080 flat angles C4'-P-C4' energy: -102.823 flat angles P-C4'-P energy: -55.704 tors. eta vs tors. theta energy: -126.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1337.934033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.934033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.934033 (E_RNA) where: Base-Base interactions energy: -852.835 where: short stacking energy: -381.673 Base-Backbone interact. energy: 0.383 local terms energy: -485.481525 where: bonds (distance) C4'-P energy: -99.446 bonds (distance) P-C4' energy: -94.023 flat angles C4'-P-C4' energy: -105.753 flat angles P-C4'-P energy: -73.794 tors. eta vs tors. theta energy: -112.465 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: 236 Temperature: 1.050000 Total energy: -1212.132449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.132449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.132449 (E_RNA) where: Base-Base interactions energy: -775.042 where: short stacking energy: -363.532 Base-Backbone interact. energy: -2.218 local terms energy: -434.873240 where: bonds (distance) C4'-P energy: -89.474 bonds (distance) P-C4' energy: -94.150 flat angles C4'-P-C4' energy: -98.339 flat angles P-C4'-P energy: -54.769 tors. eta vs tors. theta energy: -98.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1103.152985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.152985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.152985 (E_RNA) where: Base-Base interactions energy: -694.912 where: short stacking energy: -315.394 Base-Backbone interact. energy: 1.498 local terms energy: -409.739278 where: bonds (distance) C4'-P energy: -84.824 bonds (distance) P-C4' energy: -88.006 flat angles C4'-P-C4' energy: -90.829 flat angles P-C4'-P energy: -60.742 tors. eta vs tors. theta energy: -85.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -885.056305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.056305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.056305 (E_RNA) where: Base-Base interactions energy: -538.454 where: short stacking energy: -269.207 Base-Backbone interact. energy: -3.537 local terms energy: -343.064558 where: bonds (distance) C4'-P energy: -79.202 bonds (distance) P-C4' energy: -83.003 flat angles C4'-P-C4' energy: -70.660 flat angles P-C4'-P energy: -62.413 tors. eta vs tors. theta energy: -47.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -779.614423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.614423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.614423 (E_RNA) where: Base-Base interactions energy: -441.069 where: short stacking energy: -235.173 Base-Backbone interact. energy: 0.038 local terms energy: -338.582583 where: bonds (distance) C4'-P energy: -72.369 bonds (distance) P-C4' energy: -89.907 flat angles C4'-P-C4' energy: -87.198 flat angles P-C4'-P energy: -50.704 tors. eta vs tors. theta energy: -38.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -630.941308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.941308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.941308 (E_RNA) where: Base-Base interactions energy: -316.860 where: short stacking energy: -195.247 Base-Backbone interact. energy: 1.203 local terms energy: -315.284024 where: bonds (distance) C4'-P energy: -78.349 bonds (distance) P-C4' energy: -92.938 flat angles C4'-P-C4' energy: -79.917 flat angles P-C4'-P energy: -53.325 tors. eta vs tors. theta energy: -10.756 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: 5 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -406.608284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.608284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.608284 (E_RNA) where: Base-Base interactions energy: -152.188 where: short stacking energy: -118.065 Base-Backbone interact. energy: 1.364 local terms energy: -255.784422 where: bonds (distance) C4'-P energy: -87.469 bonds (distance) P-C4' energy: -74.381 flat angles C4'-P-C4' energy: -73.332 flat angles P-C4'-P energy: -37.785 tors. eta vs tors. theta energy: 17.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -374.298065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.298065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.298065 (E_RNA) where: Base-Base interactions energy: -140.438 where: short stacking energy: -99.756 Base-Backbone interact. energy: 1.689 local terms energy: -235.549855 where: bonds (distance) C4'-P energy: -77.032 bonds (distance) P-C4' energy: -84.159 flat angles C4'-P-C4' energy: -53.340 flat angles P-C4'-P energy: -53.123 tors. eta vs tors. theta energy: 32.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1515.141711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.141711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.141711 (E_RNA) where: Base-Base interactions energy: -999.340 where: short stacking energy: -461.655 Base-Backbone interact. energy: -2.127 local terms energy: -513.674875 where: bonds (distance) C4'-P energy: -101.855 bonds (distance) P-C4' energy: -101.439 flat angles C4'-P-C4' energy: -102.223 flat angles P-C4'-P energy: -69.269 tors. eta vs tors. theta energy: -138.890 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: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1454.602804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.602804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.602804 (E_RNA) where: Base-Base interactions energy: -973.092 where: short stacking energy: -437.649 Base-Backbone interact. energy: -2.412 local terms energy: -479.099223 where: bonds (distance) C4'-P energy: -86.197 bonds (distance) P-C4' energy: -90.834 flat angles C4'-P-C4' energy: -111.916 flat angles P-C4'-P energy: -61.310 tors. eta vs tors. theta energy: -128.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1330.560657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.560657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.560657 (E_RNA) where: Base-Base interactions energy: -864.421 where: short stacking energy: -392.553 Base-Backbone interact. energy: -2.289 local terms energy: -463.850959 where: bonds (distance) C4'-P energy: -95.804 bonds (distance) P-C4' energy: -91.329 flat angles C4'-P-C4' energy: -104.134 flat angles P-C4'-P energy: -64.877 tors. eta vs tors. theta energy: -107.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1216.712340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.712340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.712340 (E_RNA) where: Base-Base interactions energy: -799.191 where: short stacking energy: -333.563 Base-Backbone interact. energy: 1.642 local terms energy: -419.163167 where: bonds (distance) C4'-P energy: -91.487 bonds (distance) P-C4' energy: -97.785 flat angles C4'-P-C4' energy: -97.882 flat angles P-C4'-P energy: -54.038 tors. eta vs tors. theta energy: -77.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1131.526737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.526737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.526737 (E_RNA) where: Base-Base interactions energy: -722.451 where: short stacking energy: -334.844 Base-Backbone interact. energy: -1.954 local terms energy: -407.122269 where: bonds (distance) C4'-P energy: -92.553 bonds (distance) P-C4' energy: -84.007 flat angles C4'-P-C4' energy: -100.184 flat angles P-C4'-P energy: -51.499 tors. eta vs tors. theta energy: -78.879 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: 3 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -921.920441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.920441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.920441 (E_RNA) where: Base-Base interactions energy: -546.999 where: short stacking energy: -269.084 Base-Backbone interact. energy: -0.440 local terms energy: -374.481418 where: bonds (distance) C4'-P energy: -75.791 bonds (distance) P-C4' energy: -99.565 flat angles C4'-P-C4' energy: -93.514 flat angles P-C4'-P energy: -53.977 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: 7, replica: 7 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -732.712718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.712718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.712718 (E_RNA) where: Base-Base interactions energy: -395.431 where: short stacking energy: -201.426 Base-Backbone interact. energy: 3.391 local terms energy: -340.673143 where: bonds (distance) C4'-P energy: -91.421 bonds (distance) P-C4' energy: -84.618 flat angles C4'-P-C4' energy: -86.539 flat angles P-C4'-P energy: -54.532 tors. eta vs tors. theta energy: -23.563 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: 8, replica: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -568.234854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.234854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.234854 (E_RNA) where: Base-Base interactions energy: -281.476 where: short stacking energy: -154.935 Base-Backbone interact. energy: -0.411 local terms energy: -286.347758 where: bonds (distance) C4'-P energy: -82.049 bonds (distance) P-C4' energy: -81.168 flat angles C4'-P-C4' energy: -68.944 flat angles P-C4'-P energy: -42.482 tors. eta vs tors. theta energy: -11.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -416.602190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.602190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.602190 (E_RNA) where: Base-Base interactions energy: -131.507 where: short stacking energy: -120.193 Base-Backbone interact. energy: -1.201 local terms energy: -283.893712 where: bonds (distance) C4'-P energy: -85.754 bonds (distance) P-C4' energy: -89.268 flat angles C4'-P-C4' energy: -63.892 flat angles P-C4'-P energy: -41.702 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -376.083356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.083356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.083356 (E_RNA) where: Base-Base interactions energy: -115.399 where: short stacking energy: -99.076 Base-Backbone interact. energy: -0.670 local terms energy: -260.015057 where: bonds (distance) C4'-P energy: -82.207 bonds (distance) P-C4' energy: -80.308 flat angles C4'-P-C4' energy: -74.864 flat angles P-C4'-P energy: -37.682 tors. eta vs tors. theta energy: 15.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1534.189899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.189899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.189899 (E_RNA) where: Base-Base interactions energy: -1027.142 where: short stacking energy: -500.003 Base-Backbone interact. energy: 0.144 local terms energy: -507.192377 where: bonds (distance) C4'-P energy: -88.618 bonds (distance) P-C4' energy: -95.831 flat angles C4'-P-C4' energy: -107.294 flat angles P-C4'-P energy: -72.885 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: 2, replica: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1434.639640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.639640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.639640 (E_RNA) where: Base-Base interactions energy: -951.193 where: short stacking energy: -414.639 Base-Backbone interact. energy: -3.383 local terms energy: -480.063225 where: bonds (distance) C4'-P energy: -90.246 bonds (distance) P-C4' energy: -99.395 flat angles C4'-P-C4' energy: -98.666 flat angles P-C4'-P energy: -67.589 tors. eta vs tors. theta energy: -124.167 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: 3, replica: 10 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1330.504750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.504750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.504750 (E_RNA) where: Base-Base interactions energy: -868.910 where: short stacking energy: -394.133 Base-Backbone interact. energy: -1.920 local terms energy: -459.674187 where: bonds (distance) C4'-P energy: -86.747 bonds (distance) P-C4' energy: -101.043 flat angles C4'-P-C4' energy: -99.795 flat angles P-C4'-P energy: -59.123 tors. eta vs tors. theta energy: -112.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1247.045476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.045476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.045476 (E_RNA) where: Base-Base interactions energy: -818.926 where: short stacking energy: -373.633 Base-Backbone interact. energy: -2.521 local terms energy: -425.598614 where: bonds (distance) C4'-P energy: -95.550 bonds (distance) P-C4' energy: -81.569 flat angles C4'-P-C4' energy: -84.778 flat angles P-C4'-P energy: -60.812 tors. eta vs tors. theta energy: -102.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1132.851588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.851588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.851588 (E_RNA) where: Base-Base interactions energy: -716.450 where: short stacking energy: -340.888 Base-Backbone interact. energy: 0.410 local terms energy: -416.811830 where: bonds (distance) C4'-P energy: -84.606 bonds (distance) P-C4' energy: -73.829 flat angles C4'-P-C4' energy: -96.949 flat angles P-C4'-P energy: -66.352 tors. eta vs tors. theta energy: -95.076 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: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -972.683455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.683455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.683455 (E_RNA) where: Base-Base interactions energy: -578.128 where: short stacking energy: -268.850 Base-Backbone interact. energy: 0.405 local terms energy: -394.960220 where: bonds (distance) C4'-P energy: -100.033 bonds (distance) P-C4' energy: -87.366 flat angles C4'-P-C4' energy: -80.096 flat angles P-C4'-P energy: -56.055 tors. eta vs tors. theta energy: -71.410 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: 7 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -774.523649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.523649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.523649 (E_RNA) where: Base-Base interactions energy: -431.792 where: short stacking energy: -222.661 Base-Backbone interact. energy: 1.762 local terms energy: -344.493719 where: bonds (distance) C4'-P energy: -70.917 bonds (distance) P-C4' energy: -89.661 flat angles C4'-P-C4' energy: -90.537 flat angles P-C4'-P energy: -58.203 tors. eta vs tors. theta energy: -35.176 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: 238 Temperature: 1.250000 Total energy: -588.126409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.126409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.126409 (E_RNA) where: Base-Base interactions energy: -284.504 where: short stacking energy: -155.084 Base-Backbone interact. energy: -1.303 local terms energy: -302.319588 where: bonds (distance) C4'-P energy: -91.308 bonds (distance) P-C4' energy: -82.277 flat angles C4'-P-C4' energy: -81.377 flat angles P-C4'-P energy: -38.878 tors. eta vs tors. theta energy: -8.480 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: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -432.459466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.459466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.459466 (E_RNA) where: Base-Base interactions energy: -169.909 where: short stacking energy: -140.088 Base-Backbone interact. energy: 1.242 local terms energy: -263.791934 where: bonds (distance) C4'-P energy: -80.726 bonds (distance) P-C4' energy: -65.811 flat angles C4'-P-C4' energy: -79.310 flat angles P-C4'-P energy: -44.741 tors. eta vs tors. theta energy: 6.797 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: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -358.611518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.611518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.611518 (E_RNA) where: Base-Base interactions energy: -126.121 where: short stacking energy: -112.538 Base-Backbone interact. energy: 0.783 local terms energy: -233.273746 where: bonds (distance) C4'-P energy: -73.471 bonds (distance) P-C4' energy: -84.530 flat angles C4'-P-C4' energy: -70.709 flat angles P-C4'-P energy: -28.858 tors. eta vs tors. theta energy: 24.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1499.961731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.961731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.961731 (E_RNA) where: Base-Base interactions energy: -1011.266 where: short stacking energy: -479.347 Base-Backbone interact. energy: -0.565 local terms energy: -488.130315 where: bonds (distance) C4'-P energy: -91.622 bonds (distance) P-C4' energy: -91.947 flat angles C4'-P-C4' energy: -103.894 flat angles P-C4'-P energy: -66.034 tors. eta vs tors. theta energy: -134.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1476.354017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.354017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.354017 (E_RNA) where: Base-Base interactions energy: -985.184 where: short stacking energy: -444.026 Base-Backbone interact. energy: -2.863 local terms energy: -488.307417 where: bonds (distance) C4'-P energy: -91.906 bonds (distance) P-C4' energy: -92.051 flat angles C4'-P-C4' energy: -108.711 flat angles P-C4'-P energy: -59.294 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: 3, replica: 10 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1331.415895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.415895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.415895 (E_RNA) where: Base-Base interactions energy: -881.331 where: short stacking energy: -396.819 Base-Backbone interact. energy: -0.859 local terms energy: -449.226104 where: bonds (distance) C4'-P energy: -84.716 bonds (distance) P-C4' energy: -94.024 flat angles C4'-P-C4' energy: -94.999 flat angles P-C4'-P energy: -62.206 tors. eta vs tors. theta energy: -113.281 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: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1238.318913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.318913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.318913 (E_RNA) where: Base-Base interactions energy: -811.388 where: short stacking energy: -352.619 Base-Backbone interact. energy: -1.490 local terms energy: -425.440785 where: bonds (distance) C4'-P energy: -84.041 bonds (distance) P-C4' energy: -98.397 flat angles C4'-P-C4' energy: -95.149 flat angles P-C4'-P energy: -58.621 tors. eta vs tors. theta energy: -89.233 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: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1131.612656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.612656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.612656 (E_RNA) where: Base-Base interactions energy: -712.352 where: short stacking energy: -335.384 Base-Backbone interact. energy: 0.115 local terms energy: -419.376375 where: bonds (distance) C4'-P energy: -86.087 bonds (distance) P-C4' energy: -81.144 flat angles C4'-P-C4' energy: -94.786 flat angles P-C4'-P energy: -70.034 tors. eta vs tors. theta energy: -87.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -966.542508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.542508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.542508 (E_RNA) where: Base-Base interactions energy: -591.014 where: short stacking energy: -287.157 Base-Backbone interact. energy: 1.082 local terms energy: -376.609558 where: bonds (distance) C4'-P energy: -72.602 bonds (distance) P-C4' energy: -91.241 flat angles C4'-P-C4' energy: -86.999 flat angles P-C4'-P energy: -50.239 tors. eta vs tors. theta energy: -75.528 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: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -756.481523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.481523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.481523 (E_RNA) where: Base-Base interactions energy: -444.160 where: short stacking energy: -228.635 Base-Backbone interact. energy: 0.894 local terms energy: -313.215406 where: bonds (distance) C4'-P energy: -66.870 bonds (distance) P-C4' energy: -89.151 flat angles C4'-P-C4' energy: -71.187 flat angles P-C4'-P energy: -52.536 tors. eta vs tors. theta energy: -33.471 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: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -575.217470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.217470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.217470 (E_RNA) where: Base-Base interactions energy: -270.417 where: short stacking energy: -163.079 Base-Backbone interact. energy: -1.967 local terms energy: -302.833536 where: bonds (distance) C4'-P energy: -58.953 bonds (distance) P-C4' energy: -96.599 flat angles C4'-P-C4' energy: -84.430 flat angles P-C4'-P energy: -58.032 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -404.433383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.433383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.433383 (E_RNA) where: Base-Base interactions energy: -121.497 where: short stacking energy: -91.350 Base-Backbone interact. energy: -0.079 local terms energy: -282.857241 where: bonds (distance) C4'-P energy: -90.505 bonds (distance) P-C4' energy: -93.445 flat angles C4'-P-C4' energy: -67.170 flat angles P-C4'-P energy: -43.865 tors. eta vs tors. theta energy: 12.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -422.037754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.037754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.037754 (E_RNA) where: Base-Base interactions energy: -176.978 where: short stacking energy: -127.103 Base-Backbone interact. energy: -2.028 local terms energy: -243.031225 where: bonds (distance) C4'-P energy: -66.321 bonds (distance) P-C4' energy: -80.638 flat angles C4'-P-C4' energy: -68.076 flat angles P-C4'-P energy: -35.319 tors. eta vs tors. theta energy: 7.323 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: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1519.422211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.422211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.422211 (E_RNA) where: Base-Base interactions energy: -993.142 where: short stacking energy: -501.139 Base-Backbone interact. energy: -1.341 local terms energy: -524.939517 where: bonds (distance) C4'-P energy: -98.611 bonds (distance) P-C4' energy: -96.299 flat angles C4'-P-C4' energy: -105.888 flat angles P-C4'-P energy: -80.303 tors. eta vs tors. theta energy: -143.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1476.702316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.702316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.702316 (E_RNA) where: Base-Base interactions energy: -987.500 where: short stacking energy: -435.900 Base-Backbone interact. energy: -2.016 local terms energy: -487.186046 where: bonds (distance) C4'-P energy: -89.199 bonds (distance) P-C4' energy: -88.212 flat angles C4'-P-C4' energy: -112.906 flat angles P-C4'-P energy: -66.873 tors. eta vs tors. theta energy: -129.997 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: 3, replica: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1329.837784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.837784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.837784 (E_RNA) where: Base-Base interactions energy: -873.588 where: short stacking energy: -421.694 Base-Backbone interact. energy: 0.124 local terms energy: -456.374168 where: bonds (distance) C4'-P energy: -82.526 bonds (distance) P-C4' energy: -97.162 flat angles C4'-P-C4' energy: -98.325 flat angles P-C4'-P energy: -60.728 tors. eta vs tors. theta energy: -117.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1253.097763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.097763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.097763 (E_RNA) where: Base-Base interactions energy: -833.682 where: short stacking energy: -391.406 Base-Backbone interact. energy: -1.846 local terms energy: -417.569426 where: bonds (distance) C4'-P energy: -84.817 bonds (distance) P-C4' energy: -85.214 flat angles C4'-P-C4' energy: -91.304 flat angles P-C4'-P energy: -50.615 tors. eta vs tors. theta energy: -105.620 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: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1082.963256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.963256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.963256 (E_RNA) where: Base-Base interactions energy: -688.939 where: short stacking energy: -329.769 Base-Backbone interact. energy: 1.226 local terms energy: -395.250533 where: bonds (distance) C4'-P energy: -77.574 bonds (distance) P-C4' energy: -83.277 flat angles C4'-P-C4' energy: -99.300 flat angles P-C4'-P energy: -53.151 tors. eta vs tors. theta energy: -81.950 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: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -957.007898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.007898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.007898 (E_RNA) where: Base-Base interactions energy: -579.025 where: short stacking energy: -292.536 Base-Backbone interact. energy: 7.213 local terms energy: -385.195720 where: bonds (distance) C4'-P energy: -91.579 bonds (distance) P-C4' energy: -89.406 flat angles C4'-P-C4' energy: -95.183 flat angles P-C4'-P energy: -38.996 tors. eta vs tors. theta energy: -70.031 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: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -763.013034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.013034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.013034 (E_RNA) where: Base-Base interactions energy: -424.740 where: short stacking energy: -212.341 Base-Backbone interact. energy: -1.534 local terms energy: -336.738950 where: bonds (distance) C4'-P energy: -87.611 bonds (distance) P-C4' energy: -96.413 flat angles C4'-P-C4' energy: -75.795 flat angles P-C4'-P energy: -52.057 tors. eta vs tors. theta energy: -24.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -579.394302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.394302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.394302 (E_RNA) where: Base-Base interactions energy: -280.364 where: short stacking energy: -166.566 Base-Backbone interact. energy: -0.199 local terms energy: -298.831983 where: bonds (distance) C4'-P energy: -62.125 bonds (distance) P-C4' energy: -93.901 flat angles C4'-P-C4' energy: -75.793 flat angles P-C4'-P energy: -50.279 tors. eta vs tors. theta energy: -16.734 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: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -462.560250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.560250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.560250 (E_RNA) where: Base-Base interactions energy: -199.255 where: short stacking energy: -127.002 Base-Backbone interact. energy: -0.286 local terms energy: -263.019100 where: bonds (distance) C4'-P energy: -77.636 bonds (distance) P-C4' energy: -90.686 flat angles C4'-P-C4' energy: -73.979 flat angles P-C4'-P energy: -35.006 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: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -383.082256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.082256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.082256 (E_RNA) where: Base-Base interactions energy: -121.931 where: short stacking energy: -82.773 Base-Backbone interact. energy: -0.035 local terms energy: -261.115996 where: bonds (distance) C4'-P energy: -74.785 bonds (distance) P-C4' energy: -87.088 flat angles C4'-P-C4' energy: -71.092 flat angles P-C4'-P energy: -33.940 tors. eta vs tors. theta energy: 5.788 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: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1536.326788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.326788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.326788 (E_RNA) where: Base-Base interactions energy: -1000.831 where: short stacking energy: -490.241 Base-Backbone interact. energy: -2.375 local terms energy: -533.121164 where: bonds (distance) C4'-P energy: -97.402 bonds (distance) P-C4' energy: -106.549 flat angles C4'-P-C4' energy: -106.742 flat angles P-C4'-P energy: -75.833 tors. eta vs tors. theta energy: -146.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1474.200954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.200954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.200954 (E_RNA) where: Base-Base interactions energy: -989.157 where: short stacking energy: -435.699 Base-Backbone interact. energy: -0.639 local terms energy: -484.404832 where: bonds (distance) C4'-P energy: -92.665 bonds (distance) P-C4' energy: -97.897 flat angles C4'-P-C4' energy: -100.987 flat angles P-C4'-P energy: -75.781 tors. eta vs tors. theta energy: -117.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1294.713820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.713820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.713820 (E_RNA) where: Base-Base interactions energy: -828.455 where: short stacking energy: -384.117 Base-Backbone interact. energy: -0.225 local terms energy: -466.034061 where: bonds (distance) C4'-P energy: -83.012 bonds (distance) P-C4' energy: -100.491 flat angles C4'-P-C4' energy: -98.438 flat angles P-C4'-P energy: -69.825 tors. eta vs tors. theta energy: -114.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1298.048055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.048055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.048055 (E_RNA) where: Base-Base interactions energy: -843.584 where: short stacking energy: -388.312 Base-Backbone interact. energy: -2.842 local terms energy: -451.621684 where: bonds (distance) C4'-P energy: -90.816 bonds (distance) P-C4' energy: -98.866 flat angles C4'-P-C4' energy: -88.171 flat angles P-C4'-P energy: -66.639 tors. eta vs tors. theta energy: -107.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1103.882087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.882087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.882087 (E_RNA) where: Base-Base interactions energy: -686.403 where: short stacking energy: -357.070 Base-Backbone interact. energy: 5.068 local terms energy: -422.546174 where: bonds (distance) C4'-P energy: -85.717 bonds (distance) P-C4' energy: -92.328 flat angles C4'-P-C4' energy: -96.428 flat angles P-C4'-P energy: -66.723 tors. eta vs tors. theta energy: -81.350 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: 6, replica: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1002.365482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.365482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.365482 (E_RNA) where: Base-Base interactions energy: -598.740 where: short stacking energy: -285.949 Base-Backbone interact. energy: -0.972 local terms energy: -402.653190 where: bonds (distance) C4'-P energy: -84.512 bonds (distance) P-C4' energy: -94.889 flat angles C4'-P-C4' energy: -90.736 flat angles P-C4'-P energy: -55.705 tors. eta vs tors. theta energy: -76.811 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: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -731.348416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.348416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.348416 (E_RNA) where: Base-Base interactions energy: -423.457 where: short stacking energy: -230.841 Base-Backbone interact. energy: -1.233 local terms energy: -306.658681 where: bonds (distance) C4'-P energy: -64.712 bonds (distance) P-C4' energy: -82.697 flat angles C4'-P-C4' energy: -89.553 flat angles P-C4'-P energy: -42.103 tors. eta vs tors. theta energy: -27.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -593.638897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.638897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.638897 (E_RNA) where: Base-Base interactions energy: -287.735 where: short stacking energy: -157.414 Base-Backbone interact. energy: -0.392 local terms energy: -305.511573 where: bonds (distance) C4'-P energy: -75.725 bonds (distance) P-C4' energy: -100.971 flat angles C4'-P-C4' energy: -61.626 flat angles P-C4'-P energy: -56.314 tors. eta vs tors. theta energy: -10.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -437.769977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.769977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.769977 (E_RNA) where: Base-Base interactions energy: -174.934 where: short stacking energy: -122.654 Base-Backbone interact. energy: 1.106 local terms energy: -263.942039 where: bonds (distance) C4'-P energy: -85.882 bonds (distance) P-C4' energy: -74.126 flat angles C4'-P-C4' energy: -65.127 flat angles P-C4'-P energy: -53.856 tors. eta vs tors. theta energy: 15.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -392.355613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.355613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.355613 (E_RNA) where: Base-Base interactions energy: -154.324 where: short stacking energy: -117.915 Base-Backbone interact. energy: -2.367 local terms energy: -235.664194 where: bonds (distance) C4'-P energy: -75.412 bonds (distance) P-C4' energy: -83.654 flat angles C4'-P-C4' energy: -52.391 flat angles P-C4'-P energy: -26.296 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: 1, replica: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1520.572457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.572457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.572457 (E_RNA) where: Base-Base interactions energy: -1007.783 where: short stacking energy: -473.300 Base-Backbone interact. energy: -2.973 local terms energy: -509.816077 where: bonds (distance) C4'-P energy: -97.572 bonds (distance) P-C4' energy: -98.052 flat angles C4'-P-C4' energy: -106.377 flat angles P-C4'-P energy: -67.864 tors. eta vs tors. theta energy: -139.951 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: 8 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1466.022104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.022104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.022104 (E_RNA) where: Base-Base interactions energy: -998.556 where: short stacking energy: -440.127 Base-Backbone interact. energy: -2.019 local terms energy: -465.447318 where: bonds (distance) C4'-P energy: -91.802 bonds (distance) P-C4' energy: -92.904 flat angles C4'-P-C4' energy: -103.876 flat angles P-C4'-P energy: -56.927 tors. eta vs tors. theta energy: -119.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1352.828611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.828611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.828611 (E_RNA) where: Base-Base interactions energy: -893.714 where: short stacking energy: -395.220 Base-Backbone interact. energy: -2.893 local terms energy: -456.221687 where: bonds (distance) C4'-P energy: -87.747 bonds (distance) P-C4' energy: -97.402 flat angles C4'-P-C4' energy: -99.326 flat angles P-C4'-P energy: -62.914 tors. eta vs tors. theta energy: -108.833 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: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1248.689756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.689756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.689756 (E_RNA) where: Base-Base interactions energy: -813.068 where: short stacking energy: -365.673 Base-Backbone interact. energy: -1.785 local terms energy: -433.836667 where: bonds (distance) C4'-P energy: -91.251 bonds (distance) P-C4' energy: -83.093 flat angles C4'-P-C4' energy: -96.555 flat angles P-C4'-P energy: -57.803 tors. eta vs tors. theta energy: -105.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1050.988679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.988679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.988679 (E_RNA) where: Base-Base interactions energy: -667.864 where: short stacking energy: -321.991 Base-Backbone interact. energy: -0.444 local terms energy: -382.680204 where: bonds (distance) C4'-P energy: -79.374 bonds (distance) P-C4' energy: -90.681 flat angles C4'-P-C4' energy: -89.973 flat angles P-C4'-P energy: -45.633 tors. eta vs tors. theta energy: -77.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -987.466167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.466167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.466167 (E_RNA) where: Base-Base interactions energy: -599.613 where: short stacking energy: -292.622 Base-Backbone interact. energy: 3.444 local terms energy: -391.297602 where: bonds (distance) C4'-P energy: -89.578 bonds (distance) P-C4' energy: -81.533 flat angles C4'-P-C4' energy: -80.657 flat angles P-C4'-P energy: -62.725 tors. eta vs tors. theta energy: -76.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -781.155113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.155113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.155113 (E_RNA) where: Base-Base interactions energy: -475.263 where: short stacking energy: -239.106 Base-Backbone interact. energy: 4.326 local terms energy: -310.218054 where: bonds (distance) C4'-P energy: -76.930 bonds (distance) P-C4' energy: -84.847 flat angles C4'-P-C4' energy: -73.284 flat angles P-C4'-P energy: -37.622 tors. eta vs tors. theta energy: -37.536 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: 9 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -624.020354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.020354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.020354 (E_RNA) where: Base-Base interactions energy: -300.677 where: short stacking energy: -176.875 Base-Backbone interact. energy: -0.389 local terms energy: -322.953880 where: bonds (distance) C4'-P energy: -71.138 bonds (distance) P-C4' energy: -95.490 flat angles C4'-P-C4' energy: -91.449 flat angles P-C4'-P energy: -56.968 tors. eta vs tors. theta energy: -7.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -481.774665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.774665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.774665 (E_RNA) where: Base-Base interactions energy: -197.088 where: short stacking energy: -145.546 Base-Backbone interact. energy: -0.854 local terms energy: -283.832364 where: bonds (distance) C4'-P energy: -79.868 bonds (distance) P-C4' energy: -78.691 flat angles C4'-P-C4' energy: -64.365 flat angles P-C4'-P energy: -47.769 tors. eta vs tors. theta energy: -13.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -399.439460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.439460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.439460 (E_RNA) where: Base-Base interactions energy: -133.224 where: short stacking energy: -123.431 Base-Backbone interact. energy: -2.929 local terms energy: -263.286541 where: bonds (distance) C4'-P energy: -86.347 bonds (distance) P-C4' energy: -84.164 flat angles C4'-P-C4' energy: -73.291 flat angles P-C4'-P energy: -37.331 tors. eta vs tors. theta energy: 17.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1532.143278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.143278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.143278 (E_RNA) where: Base-Base interactions energy: -1020.440 where: short stacking energy: -493.349 Base-Backbone interact. energy: -3.510 local terms energy: -508.193022 where: bonds (distance) C4'-P energy: -88.903 bonds (distance) P-C4' energy: -88.728 flat angles C4'-P-C4' energy: -111.529 flat angles P-C4'-P energy: -66.270 tors. eta vs tors. theta energy: -152.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1453.289994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.289994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.289994 (E_RNA) where: Base-Base interactions energy: -983.952 where: short stacking energy: -423.882 Base-Backbone interact. energy: 0.683 local terms energy: -470.021353 where: bonds (distance) C4'-P energy: -92.280 bonds (distance) P-C4' energy: -89.755 flat angles C4'-P-C4' energy: -98.005 flat angles P-C4'-P energy: -66.699 tors. eta vs tors. theta energy: -123.281 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: 6 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1357.925777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.925777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.925777 (E_RNA) where: Base-Base interactions energy: -909.356 where: short stacking energy: -382.931 Base-Backbone interact. energy: -0.607 local terms energy: -447.963081 where: bonds (distance) C4'-P energy: -81.572 bonds (distance) P-C4' energy: -94.383 flat angles C4'-P-C4' energy: -114.021 flat angles P-C4'-P energy: -49.238 tors. eta vs tors. theta energy: -108.750 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: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1241.329739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.329739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.329739 (E_RNA) where: Base-Base interactions energy: -792.742 where: short stacking energy: -385.713 Base-Backbone interact. energy: -0.626 local terms energy: -447.961580 where: bonds (distance) C4'-P energy: -85.145 bonds (distance) P-C4' energy: -97.207 flat angles C4'-P-C4' energy: -99.281 flat angles P-C4'-P energy: -63.994 tors. eta vs tors. theta energy: -102.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1111.206117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.206117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.206117 (E_RNA) where: Base-Base interactions energy: -695.502 where: short stacking energy: -332.913 Base-Backbone interact. energy: -2.176 local terms energy: -413.527973 where: bonds (distance) C4'-P energy: -87.904 bonds (distance) P-C4' energy: -87.869 flat angles C4'-P-C4' energy: -99.039 flat angles P-C4'-P energy: -50.783 tors. eta vs tors. theta energy: -87.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -954.411585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.411585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.411585 (E_RNA) where: Base-Base interactions energy: -553.585 where: short stacking energy: -288.866 Base-Backbone interact. energy: -3.022 local terms energy: -397.804008 where: bonds (distance) C4'-P energy: -78.008 bonds (distance) P-C4' energy: -91.558 flat angles C4'-P-C4' energy: -88.145 flat angles P-C4'-P energy: -62.441 tors. eta vs tors. theta energy: -77.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -789.883433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.883433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.883433 (E_RNA) where: Base-Base interactions energy: -483.142 where: short stacking energy: -227.568 Base-Backbone interact. energy: 4.888 local terms energy: -311.629008 where: bonds (distance) C4'-P energy: -73.931 bonds (distance) P-C4' energy: -80.155 flat angles C4'-P-C4' energy: -65.485 flat angles P-C4'-P energy: -54.256 tors. eta vs tors. theta energy: -37.802 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: 9 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -631.921320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.921320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.921320 (E_RNA) where: Base-Base interactions energy: -334.372 where: short stacking energy: -197.688 Base-Backbone interact. energy: -2.551 local terms energy: -294.998057 where: bonds (distance) C4'-P energy: -81.051 bonds (distance) P-C4' energy: -80.260 flat angles C4'-P-C4' energy: -52.927 flat angles P-C4'-P energy: -50.936 tors. eta vs tors. theta energy: -29.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -388.666388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.666388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.666388 (E_RNA) where: Base-Base interactions energy: -123.517 where: short stacking energy: -104.689 Base-Backbone interact. energy: 6.694 local terms energy: -271.842952 where: bonds (distance) C4'-P energy: -83.860 bonds (distance) P-C4' energy: -86.591 flat angles C4'-P-C4' energy: -66.732 flat angles P-C4'-P energy: -49.977 tors. eta vs tors. theta energy: 15.317 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: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -367.272165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.272165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.272165 (E_RNA) where: Base-Base interactions energy: -137.344 where: short stacking energy: -102.903 Base-Backbone interact. energy: 1.359 local terms energy: -231.286652 where: bonds (distance) C4'-P energy: -71.577 bonds (distance) P-C4' energy: -80.999 flat angles C4'-P-C4' energy: -58.430 flat angles P-C4'-P energy: -33.660 tors. eta vs tors. theta energy: 13.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1506.671120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.671120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.671120 (E_RNA) where: Base-Base interactions energy: -1008.834 where: short stacking energy: -455.902 Base-Backbone interact. energy: -0.276 local terms energy: -497.561408 where: bonds (distance) C4'-P energy: -95.637 bonds (distance) P-C4' energy: -102.548 flat angles C4'-P-C4' energy: -113.450 flat angles P-C4'-P energy: -64.037 tors. eta vs tors. theta energy: -121.889 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: 4 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1442.878778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.878778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.878778 (E_RNA) where: Base-Base interactions energy: -953.384 where: short stacking energy: -440.812 Base-Backbone interact. energy: -3.143 local terms energy: -486.351843 where: bonds (distance) C4'-P energy: -99.180 bonds (distance) P-C4' energy: -86.588 flat angles C4'-P-C4' energy: -99.616 flat angles P-C4'-P energy: -67.038 tors. eta vs tors. theta energy: -133.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1402.431476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.431476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.431476 (E_RNA) where: Base-Base interactions energy: -940.888 where: short stacking energy: -434.908 Base-Backbone interact. energy: -0.545 local terms energy: -460.998600 where: bonds (distance) C4'-P energy: -90.338 bonds (distance) P-C4' energy: -90.531 flat angles C4'-P-C4' energy: -95.349 flat angles P-C4'-P energy: -61.848 tors. eta vs tors. theta energy: -122.933 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: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1228.365978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.365978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.365978 (E_RNA) where: Base-Base interactions energy: -777.528 where: short stacking energy: -333.486 Base-Backbone interact. energy: -1.018 local terms energy: -449.820444 where: bonds (distance) C4'-P energy: -91.193 bonds (distance) P-C4' energy: -103.950 flat angles C4'-P-C4' energy: -94.410 flat angles P-C4'-P energy: -60.861 tors. eta vs tors. theta energy: -99.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1134.720796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.720796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.720796 (E_RNA) where: Base-Base interactions energy: -729.218 where: short stacking energy: -356.330 Base-Backbone interact. energy: -1.394 local terms energy: -404.109184 where: bonds (distance) C4'-P energy: -87.976 bonds (distance) P-C4' energy: -87.427 flat angles C4'-P-C4' energy: -81.116 flat angles P-C4'-P energy: -52.336 tors. eta vs tors. theta energy: -95.254 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: 3 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -942.857631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.857631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.857631 (E_RNA) where: Base-Base interactions energy: -560.460 where: short stacking energy: -252.070 Base-Backbone interact. energy: -2.026 local terms energy: -380.371507 where: bonds (distance) C4'-P energy: -83.209 bonds (distance) P-C4' energy: -97.986 flat angles C4'-P-C4' energy: -86.464 flat angles P-C4'-P energy: -50.514 tors. eta vs tors. theta energy: -62.198 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: 7 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -781.700474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.700474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.700474 (E_RNA) where: Base-Base interactions energy: -434.927 where: short stacking energy: -218.831 Base-Backbone interact. energy: 0.517 local terms energy: -347.289787 where: bonds (distance) C4'-P energy: -81.059 bonds (distance) P-C4' energy: -89.257 flat angles C4'-P-C4' energy: -91.471 flat angles P-C4'-P energy: -48.316 tors. eta vs tors. theta energy: -37.186 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: 8, replica: 9 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -606.726244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.726244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.726244 (E_RNA) where: Base-Base interactions energy: -289.908 where: short stacking energy: -178.522 Base-Backbone interact. energy: -0.178 local terms energy: -316.639822 where: bonds (distance) C4'-P energy: -74.406 bonds (distance) P-C4' energy: -84.620 flat angles C4'-P-C4' energy: -77.717 flat angles P-C4'-P energy: -53.947 tors. eta vs tors. theta energy: -25.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -428.134016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.134016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.134016 (E_RNA) where: Base-Base interactions energy: -163.011 where: short stacking energy: -118.266 Base-Backbone interact. energy: -0.934 local terms energy: -264.188713 where: bonds (distance) C4'-P energy: -76.996 bonds (distance) P-C4' energy: -82.934 flat angles C4'-P-C4' energy: -66.776 flat angles P-C4'-P energy: -43.003 tors. eta vs tors. theta energy: 5.520 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: 10, replica: 5 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -364.075142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.075142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.075142 (E_RNA) where: Base-Base interactions energy: -151.497 where: short stacking energy: -136.939 Base-Backbone interact. energy: 1.035 local terms energy: -213.613051 where: bonds (distance) C4'-P energy: -71.478 bonds (distance) P-C4' energy: -62.337 flat angles C4'-P-C4' energy: -56.993 flat angles P-C4'-P energy: -42.566 tors. eta vs tors. theta energy: 19.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1500.028031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.028031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.028031 (E_RNA) where: Base-Base interactions energy: -1029.909 where: short stacking energy: -448.219 Base-Backbone interact. energy: -1.334 local terms energy: -468.785065 where: bonds (distance) C4'-P energy: -90.973 bonds (distance) P-C4' energy: -90.184 flat angles C4'-P-C4' energy: -103.877 flat angles P-C4'-P energy: -57.621 tors. eta vs tors. theta energy: -126.130 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: 4 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1467.718519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.718519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.718519 (E_RNA) where: Base-Base interactions energy: -968.296 where: short stacking energy: -467.294 Base-Backbone interact. energy: -1.016 local terms energy: -498.406672 where: bonds (distance) C4'-P energy: -91.491 bonds (distance) P-C4' energy: -96.935 flat angles C4'-P-C4' energy: -100.280 flat angles P-C4'-P energy: -72.910 tors. eta vs tors. theta energy: -136.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1376.365316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.365316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.365316 (E_RNA) where: Base-Base interactions energy: -920.957 where: short stacking energy: -418.162 Base-Backbone interact. energy: -2.847 local terms energy: -452.561190 where: bonds (distance) C4'-P energy: -93.207 bonds (distance) P-C4' energy: -83.097 flat angles C4'-P-C4' energy: -96.044 flat angles P-C4'-P energy: -70.002 tors. eta vs tors. theta energy: -110.210 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: 10 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1253.735183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.735183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.735183 (E_RNA) where: Base-Base interactions energy: -814.726 where: short stacking energy: -378.454 Base-Backbone interact. energy: -3.235 local terms energy: -435.774552 where: bonds (distance) C4'-P energy: -104.105 bonds (distance) P-C4' energy: -82.432 flat angles C4'-P-C4' energy: -94.319 flat angles P-C4'-P energy: -52.589 tors. eta vs tors. theta energy: -102.330 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: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1113.419354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.419354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.419354 (E_RNA) where: Base-Base interactions energy: -692.136 where: short stacking energy: -335.972 Base-Backbone interact. energy: -1.331 local terms energy: -419.951874 where: bonds (distance) C4'-P energy: -78.309 bonds (distance) P-C4' energy: -87.459 flat angles C4'-P-C4' energy: -86.316 flat angles P-C4'-P energy: -71.188 tors. eta vs tors. theta energy: -96.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -933.544467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.544467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.544467 (E_RNA) where: Base-Base interactions energy: -553.439 where: short stacking energy: -277.083 Base-Backbone interact. energy: -1.430 local terms energy: -378.675433 where: bonds (distance) C4'-P energy: -88.260 bonds (distance) P-C4' energy: -74.841 flat angles C4'-P-C4' energy: -88.919 flat angles P-C4'-P energy: -66.749 tors. eta vs tors. theta energy: -59.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -791.137881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.137881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.137881 (E_RNA) where: Base-Base interactions energy: -465.097 where: short stacking energy: -229.748 Base-Backbone interact. energy: -0.651 local terms energy: -325.390395 where: bonds (distance) C4'-P energy: -74.888 bonds (distance) P-C4' energy: -80.828 flat angles C4'-P-C4' energy: -91.667 flat angles P-C4'-P energy: -51.751 tors. eta vs tors. theta energy: -26.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -663.023643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.023643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.023643 (E_RNA) where: Base-Base interactions energy: -330.015 where: short stacking energy: -175.096 Base-Backbone interact. energy: 0.040 local terms energy: -333.048737 where: bonds (distance) C4'-P energy: -82.607 bonds (distance) P-C4' energy: -83.939 flat angles C4'-P-C4' energy: -81.222 flat angles P-C4'-P energy: -57.957 tors. eta vs tors. theta energy: -27.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -419.491254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.491254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.491254 (E_RNA) where: Base-Base interactions energy: -172.864 where: short stacking energy: -134.975 Base-Backbone interact. energy: -2.236 local terms energy: -244.391116 where: bonds (distance) C4'-P energy: -67.206 bonds (distance) P-C4' energy: -80.988 flat angles C4'-P-C4' energy: -70.497 flat angles P-C4'-P energy: -31.829 tors. eta vs tors. theta energy: 6.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -368.215110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.215110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.215110 (E_RNA) where: Base-Base interactions energy: -134.512 where: short stacking energy: -112.474 Base-Backbone interact. energy: -2.487 local terms energy: -231.216351 where: bonds (distance) C4'-P energy: -66.900 bonds (distance) P-C4' energy: -74.434 flat angles C4'-P-C4' energy: -55.995 flat angles P-C4'-P energy: -52.058 tors. eta vs tors. theta energy: 18.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1505.147886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.147886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.147886 (E_RNA) where: Base-Base interactions energy: -999.313 where: short stacking energy: -475.593 Base-Backbone interact. energy: -1.681 local terms energy: -504.153386 where: bonds (distance) C4'-P energy: -79.588 bonds (distance) P-C4' energy: -104.800 flat angles C4'-P-C4' energy: -104.115 flat angles P-C4'-P energy: -73.207 tors. eta vs tors. theta energy: -142.443 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: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1481.628864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.628864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.628864 (E_RNA) where: Base-Base interactions energy: -990.775 where: short stacking energy: -436.924 Base-Backbone interact. energy: -4.732 local terms energy: -486.122166 where: bonds (distance) C4'-P energy: -93.593 bonds (distance) P-C4' energy: -90.886 flat angles C4'-P-C4' energy: -106.903 flat angles P-C4'-P energy: -76.241 tors. eta vs tors. theta energy: -118.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1342.054336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.054336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.054336 (E_RNA) where: Base-Base interactions energy: -889.163 where: short stacking energy: -424.123 Base-Backbone interact. energy: -2.359 local terms energy: -450.532357 where: bonds (distance) C4'-P energy: -91.866 bonds (distance) P-C4' energy: -85.186 flat angles C4'-P-C4' energy: -104.052 flat angles P-C4'-P energy: -61.865 tors. eta vs tors. theta energy: -107.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1244.599222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.599222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.599222 (E_RNA) where: Base-Base interactions energy: -813.654 where: short stacking energy: -397.795 Base-Backbone interact. energy: -2.297 local terms energy: -428.648029 where: bonds (distance) C4'-P energy: -87.857 bonds (distance) P-C4' energy: -73.320 flat angles C4'-P-C4' energy: -100.848 flat angles P-C4'-P energy: -60.001 tors. eta vs tors. theta energy: -106.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1092.031692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.031692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.031692 (E_RNA) where: Base-Base interactions energy: -661.569 where: short stacking energy: -300.538 Base-Backbone interact. energy: -1.146 local terms energy: -429.317324 where: bonds (distance) C4'-P energy: -93.640 bonds (distance) P-C4' energy: -87.423 flat angles C4'-P-C4' energy: -96.870 flat angles P-C4'-P energy: -61.199 tors. eta vs tors. theta energy: -90.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -953.210583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.210583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.210583 (E_RNA) where: Base-Base interactions energy: -546.102 where: short stacking energy: -292.963 Base-Backbone interact. energy: 0.976 local terms energy: -408.084654 where: bonds (distance) C4'-P energy: -94.511 bonds (distance) P-C4' energy: -92.387 flat angles C4'-P-C4' energy: -90.705 flat angles P-C4'-P energy: -52.745 tors. eta vs tors. theta energy: -77.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -759.196348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.196348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.196348 (E_RNA) where: Base-Base interactions energy: -429.944 where: short stacking energy: -216.092 Base-Backbone interact. energy: -1.040 local terms energy: -328.212435 where: bonds (distance) C4'-P energy: -87.263 bonds (distance) P-C4' energy: -86.147 flat angles C4'-P-C4' energy: -76.568 flat angles P-C4'-P energy: -49.110 tors. eta vs tors. theta energy: -29.124 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: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -563.845362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.845362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.845362 (E_RNA) where: Base-Base interactions energy: -261.578 where: short stacking energy: -174.248 Base-Backbone interact. energy: 0.022 local terms energy: -302.289362 where: bonds (distance) C4'-P energy: -68.834 bonds (distance) P-C4' energy: -101.014 flat angles C4'-P-C4' energy: -77.901 flat angles P-C4'-P energy: -52.399 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -428.236952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.236952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.236952 (E_RNA) where: Base-Base interactions energy: -154.869 where: short stacking energy: -149.594 Base-Backbone interact. energy: 1.263 local terms energy: -274.630962 where: bonds (distance) C4'-P energy: -92.369 bonds (distance) P-C4' energy: -82.787 flat angles C4'-P-C4' energy: -62.078 flat angles P-C4'-P energy: -41.336 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: 5 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -376.475630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.475630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.475630 (E_RNA) where: Base-Base interactions energy: -134.389 where: short stacking energy: -123.399 Base-Backbone interact. energy: 0.327 local terms energy: -242.413066 where: bonds (distance) C4'-P energy: -75.887 bonds (distance) P-C4' energy: -89.230 flat angles C4'-P-C4' energy: -53.305 flat angles P-C4'-P energy: -39.491 tors. eta vs tors. theta energy: 15.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1516.002479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.002479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.002479 (E_RNA) where: Base-Base interactions energy: -1006.838 where: short stacking energy: -446.931 Base-Backbone interact. energy: -1.487 local terms energy: -507.677501 where: bonds (distance) C4'-P energy: -97.865 bonds (distance) P-C4' energy: -95.734 flat angles C4'-P-C4' energy: -114.879 flat angles P-C4'-P energy: -70.917 tors. eta vs tors. theta energy: -128.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1482.326563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.326563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.326563 (E_RNA) where: Base-Base interactions energy: -1004.010 where: short stacking energy: -428.001 Base-Backbone interact. energy: -5.470 local terms energy: -472.847103 where: bonds (distance) C4'-P energy: -92.108 bonds (distance) P-C4' energy: -78.926 flat angles C4'-P-C4' energy: -110.491 flat angles P-C4'-P energy: -62.998 tors. eta vs tors. theta energy: -128.324 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: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1362.097215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.097215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.097215 (E_RNA) where: Base-Base interactions energy: -879.623 where: short stacking energy: -407.874 Base-Backbone interact. energy: -0.739 local terms energy: -481.735490 where: bonds (distance) C4'-P energy: -90.677 bonds (distance) P-C4' energy: -92.593 flat angles C4'-P-C4' energy: -106.094 flat angles P-C4'-P energy: -68.943 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: 4, replica: 10 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1244.757877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.757877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.757877 (E_RNA) where: Base-Base interactions energy: -825.626 where: short stacking energy: -387.865 Base-Backbone interact. energy: -0.738 local terms energy: -418.394517 where: bonds (distance) C4'-P energy: -88.767 bonds (distance) P-C4' energy: -86.008 flat angles C4'-P-C4' energy: -78.780 flat angles P-C4'-P energy: -51.983 tors. eta vs tors. theta energy: -112.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1097.787566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.787566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.787566 (E_RNA) where: Base-Base interactions energy: -701.526 where: short stacking energy: -332.512 Base-Backbone interact. energy: -0.808 local terms energy: -395.453509 where: bonds (distance) C4'-P energy: -63.173 bonds (distance) P-C4' energy: -96.527 flat angles C4'-P-C4' energy: -92.647 flat angles P-C4'-P energy: -56.663 tors. eta vs tors. theta energy: -86.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -933.440917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.440917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.440917 (E_RNA) where: Base-Base interactions energy: -548.608 where: short stacking energy: -280.977 Base-Backbone interact. energy: -0.195 local terms energy: -384.637747 where: bonds (distance) C4'-P energy: -78.048 bonds (distance) P-C4' energy: -85.437 flat angles C4'-P-C4' energy: -94.348 flat angles P-C4'-P energy: -55.434 tors. eta vs tors. theta energy: -71.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -673.419101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.419101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.419101 (E_RNA) where: Base-Base interactions energy: -349.584 where: short stacking energy: -183.468 Base-Backbone interact. energy: -0.996 local terms energy: -322.838951 where: bonds (distance) C4'-P energy: -89.207 bonds (distance) P-C4' energy: -77.473 flat angles C4'-P-C4' energy: -75.357 flat angles P-C4'-P energy: -63.296 tors. eta vs tors. theta energy: -17.507 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: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -607.788593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.788593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.788593 (E_RNA) where: Base-Base interactions energy: -296.559 where: short stacking energy: -176.245 Base-Backbone interact. energy: -1.271 local terms energy: -309.959019 where: bonds (distance) C4'-P energy: -84.601 bonds (distance) P-C4' energy: -87.860 flat angles C4'-P-C4' energy: -84.180 flat angles P-C4'-P energy: -39.027 tors. eta vs tors. theta energy: -14.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -442.965397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.965397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.965397 (E_RNA) where: Base-Base interactions energy: -159.930 where: short stacking energy: -136.822 Base-Backbone interact. energy: -1.164 local terms energy: -281.871054 where: bonds (distance) C4'-P energy: -84.569 bonds (distance) P-C4' energy: -90.119 flat angles C4'-P-C4' energy: -81.257 flat angles P-C4'-P energy: -23.653 tors. eta vs tors. theta energy: -2.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -370.431349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.431349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.431349 (E_RNA) where: Base-Base interactions energy: -121.563 where: short stacking energy: -87.697 Base-Backbone interact. energy: -1.034 local terms energy: -247.834110 where: bonds (distance) C4'-P energy: -80.718 bonds (distance) P-C4' energy: -86.134 flat angles C4'-P-C4' energy: -64.550 flat angles P-C4'-P energy: -40.452 tors. eta vs tors. theta energy: 24.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1509.001137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.001137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.001137 (E_RNA) where: Base-Base interactions energy: -1037.127 where: short stacking energy: -461.245 Base-Backbone interact. energy: -1.168 local terms energy: -470.706653 where: bonds (distance) C4'-P energy: -76.873 bonds (distance) P-C4' energy: -99.130 flat angles C4'-P-C4' energy: -97.154 flat angles P-C4'-P energy: -59.829 tors. eta vs tors. theta energy: -137.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1467.463203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.463203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.463203 (E_RNA) where: Base-Base interactions energy: -970.367 where: short stacking energy: -469.062 Base-Backbone interact. energy: -2.201 local terms energy: -494.895458 where: bonds (distance) C4'-P energy: -93.508 bonds (distance) P-C4' energy: -94.392 flat angles C4'-P-C4' energy: -107.342 flat angles P-C4'-P energy: -65.452 tors. eta vs tors. theta energy: -134.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1325.986388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.986388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.986388 (E_RNA) where: Base-Base interactions energy: -864.619 where: short stacking energy: -372.651 Base-Backbone interact. energy: -0.679 local terms energy: -460.688619 where: bonds (distance) C4'-P energy: -100.229 bonds (distance) P-C4' energy: -96.409 flat angles C4'-P-C4' energy: -98.480 flat angles P-C4'-P energy: -51.036 tors. eta vs tors. theta energy: -114.536 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: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1228.876166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.876166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.876166 (E_RNA) where: Base-Base interactions energy: -801.681 where: short stacking energy: -357.557 Base-Backbone interact. energy: 0.201 local terms energy: -427.395827 where: bonds (distance) C4'-P energy: -87.130 bonds (distance) P-C4' energy: -86.270 flat angles C4'-P-C4' energy: -92.533 flat angles P-C4'-P energy: -65.600 tors. eta vs tors. theta energy: -95.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1119.056820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.056820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.056820 (E_RNA) where: Base-Base interactions energy: -705.043 where: short stacking energy: -329.812 Base-Backbone interact. energy: -1.673 local terms energy: -412.341152 where: bonds (distance) C4'-P energy: -91.689 bonds (distance) P-C4' energy: -77.213 flat angles C4'-P-C4' energy: -96.787 flat angles P-C4'-P energy: -63.797 tors. eta vs tors. theta energy: -82.855 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: 6, replica: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -886.068978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.068978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.068978 (E_RNA) where: Base-Base interactions energy: -517.934 where: short stacking energy: -267.168 Base-Backbone interact. energy: 8.122 local terms energy: -376.256250 where: bonds (distance) C4'-P energy: -84.332 bonds (distance) P-C4' energy: -91.641 flat angles C4'-P-C4' energy: -77.715 flat angles P-C4'-P energy: -55.946 tors. eta vs tors. theta energy: -66.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -669.131791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.131791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.131791 (E_RNA) where: Base-Base interactions energy: -369.250 where: short stacking energy: -197.867 Base-Backbone interact. energy: 2.465 local terms energy: -302.346986 where: bonds (distance) C4'-P energy: -74.990 bonds (distance) P-C4' energy: -88.204 flat angles C4'-P-C4' energy: -66.717 flat angles P-C4'-P energy: -49.417 tors. eta vs tors. theta energy: -23.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -562.348297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.348297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.348297 (E_RNA) where: Base-Base interactions energy: -266.305 where: short stacking energy: -165.501 Base-Backbone interact. energy: -0.938 local terms energy: -295.105187 where: bonds (distance) C4'-P energy: -76.003 bonds (distance) P-C4' energy: -93.407 flat angles C4'-P-C4' energy: -80.865 flat angles P-C4'-P energy: -42.663 tors. eta vs tors. theta energy: -2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -400.631108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.631108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.631108 (E_RNA) where: Base-Base interactions energy: -146.357 where: short stacking energy: -128.819 Base-Backbone interact. energy: -0.857 local terms energy: -253.417466 where: bonds (distance) C4'-P energy: -68.693 bonds (distance) P-C4' energy: -91.438 flat angles C4'-P-C4' energy: -66.313 flat angles P-C4'-P energy: -39.555 tors. eta vs tors. theta energy: 12.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -366.254725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.254725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.254725 (E_RNA) where: Base-Base interactions energy: -120.998 where: short stacking energy: -103.817 Base-Backbone interact. energy: 0.508 local terms energy: -245.764724 where: bonds (distance) C4'-P energy: -72.083 bonds (distance) P-C4' energy: -91.970 flat angles C4'-P-C4' energy: -57.807 flat angles P-C4'-P energy: -29.003 tors. eta vs tors. theta energy: 5.099 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: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1509.731421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.731421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.731421 (E_RNA) where: Base-Base interactions energy: -1011.671 where: short stacking energy: -435.688 Base-Backbone interact. energy: -0.712 local terms energy: -497.348532 where: bonds (distance) C4'-P energy: -81.270 bonds (distance) P-C4' energy: -92.607 flat angles C4'-P-C4' energy: -112.224 flat angles P-C4'-P energy: -76.097 tors. eta vs tors. theta energy: -135.151 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: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1457.170354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.170354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.170354 (E_RNA) where: Base-Base interactions energy: -975.045 where: short stacking energy: -455.007 Base-Backbone interact. energy: 0.410 local terms energy: -482.535312 where: bonds (distance) C4'-P energy: -92.115 bonds (distance) P-C4' energy: -96.754 flat angles C4'-P-C4' energy: -93.869 flat angles P-C4'-P energy: -69.424 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: 3, replica: 6 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1379.497798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.497798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.497798 (E_RNA) where: Base-Base interactions energy: -926.169 where: short stacking energy: -427.087 Base-Backbone interact. energy: -2.071 local terms energy: -451.257740 where: bonds (distance) C4'-P energy: -74.736 bonds (distance) P-C4' energy: -96.200 flat angles C4'-P-C4' energy: -99.998 flat angles P-C4'-P energy: -59.710 tors. eta vs tors. theta energy: -120.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1246.704361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.704361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.704361 (E_RNA) where: Base-Base interactions energy: -813.872 where: short stacking energy: -354.767 Base-Backbone interact. energy: -1.461 local terms energy: -431.371376 where: bonds (distance) C4'-P energy: -87.514 bonds (distance) P-C4' energy: -82.668 flat angles C4'-P-C4' energy: -82.935 flat angles P-C4'-P energy: -71.053 tors. eta vs tors. theta energy: -107.201 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: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1120.120454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.120454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.120454 (E_RNA) where: Base-Base interactions energy: -715.079 where: short stacking energy: -345.666 Base-Backbone interact. energy: -1.669 local terms energy: -403.371847 where: bonds (distance) C4'-P energy: -89.809 bonds (distance) P-C4' energy: -65.106 flat angles C4'-P-C4' energy: -91.333 flat angles P-C4'-P energy: -67.577 tors. eta vs tors. theta energy: -89.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -887.641473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.641473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.641473 (E_RNA) where: Base-Base interactions energy: -516.840 where: short stacking energy: -264.285 Base-Backbone interact. energy: -0.543 local terms energy: -370.258159 where: bonds (distance) C4'-P energy: -74.255 bonds (distance) P-C4' energy: -94.037 flat angles C4'-P-C4' energy: -87.379 flat angles P-C4'-P energy: -63.167 tors. eta vs tors. theta energy: -51.420 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: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -675.499639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.499639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.499639 (E_RNA) where: Base-Base interactions energy: -372.636 where: short stacking energy: -193.573 Base-Backbone interact. energy: -0.485 local terms energy: -302.379097 where: bonds (distance) C4'-P energy: -74.975 bonds (distance) P-C4' energy: -74.974 flat angles C4'-P-C4' energy: -81.583 flat angles P-C4'-P energy: -61.361 tors. eta vs tors. theta energy: -9.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -621.549154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.549154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.549154 (E_RNA) where: Base-Base interactions energy: -332.247 where: short stacking energy: -163.252 Base-Backbone interact. energy: -2.786 local terms energy: -286.515879 where: bonds (distance) C4'-P energy: -77.241 bonds (distance) P-C4' energy: -84.331 flat angles C4'-P-C4' energy: -84.240 flat angles P-C4'-P energy: -43.909 tors. eta vs tors. theta energy: 3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -408.301839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.301839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.301839 (E_RNA) where: Base-Base interactions energy: -137.102 where: short stacking energy: -108.734 Base-Backbone interact. energy: 0.194 local terms energy: -271.393907 where: bonds (distance) C4'-P energy: -79.008 bonds (distance) P-C4' energy: -90.295 flat angles C4'-P-C4' energy: -66.174 flat angles P-C4'-P energy: -41.705 tors. eta vs tors. theta energy: 5.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -375.515393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.515393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.515393 (E_RNA) where: Base-Base interactions energy: -127.331 where: short stacking energy: -110.143 Base-Backbone interact. energy: -1.616 local terms energy: -246.568405 where: bonds (distance) C4'-P energy: -73.693 bonds (distance) P-C4' energy: -72.163 flat angles C4'-P-C4' energy: -71.021 flat angles P-C4'-P energy: -39.698 tors. eta vs tors. theta energy: 10.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1498.929501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.929501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.929501 (E_RNA) where: Base-Base interactions energy: -994.067 where: short stacking energy: -468.831 Base-Backbone interact. energy: 0.709 local terms energy: -505.571398 where: bonds (distance) C4'-P energy: -93.643 bonds (distance) P-C4' energy: -90.386 flat angles C4'-P-C4' energy: -109.616 flat angles P-C4'-P energy: -67.696 tors. eta vs tors. theta energy: -144.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1475.715584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.715584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.715584 (E_RNA) where: Base-Base interactions energy: -1010.531 where: short stacking energy: -426.081 Base-Backbone interact. energy: -1.104 local terms energy: -464.080487 where: bonds (distance) C4'-P energy: -75.860 bonds (distance) P-C4' energy: -97.525 flat angles C4'-P-C4' energy: -103.631 flat angles P-C4'-P energy: -57.779 tors. eta vs tors. theta energy: -129.287 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: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1355.248121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.248121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.248121 (E_RNA) where: Base-Base interactions energy: -888.664 where: short stacking energy: -411.506 Base-Backbone interact. energy: -3.568 local terms energy: -463.015741 where: bonds (distance) C4'-P energy: -91.223 bonds (distance) P-C4' energy: -94.869 flat angles C4'-P-C4' energy: -93.251 flat angles P-C4'-P energy: -62.578 tors. eta vs tors. theta energy: -121.095 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: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1236.966113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.966113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.966113 (E_RNA) where: Base-Base interactions energy: -799.025 where: short stacking energy: -394.184 Base-Backbone interact. energy: -1.326 local terms energy: -436.615018 where: bonds (distance) C4'-P energy: -82.014 bonds (distance) P-C4' energy: -81.366 flat angles C4'-P-C4' energy: -102.647 flat angles P-C4'-P energy: -66.559 tors. eta vs tors. theta energy: -104.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1115.581444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.581444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.581444 (E_RNA) where: Base-Base interactions energy: -679.579 where: short stacking energy: -313.744 Base-Backbone interact. energy: -1.727 local terms energy: -434.275436 where: bonds (distance) C4'-P energy: -92.763 bonds (distance) P-C4' energy: -95.016 flat angles C4'-P-C4' energy: -84.241 flat angles P-C4'-P energy: -65.779 tors. eta vs tors. theta energy: -96.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -883.071351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.071351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.071351 (E_RNA) where: Base-Base interactions energy: -534.797 where: short stacking energy: -256.621 Base-Backbone interact. energy: -2.723 local terms energy: -345.551472 where: bonds (distance) C4'-P energy: -73.336 bonds (distance) P-C4' energy: -82.684 flat angles C4'-P-C4' energy: -91.945 flat angles P-C4'-P energy: -56.105 tors. eta vs tors. theta energy: -41.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -705.507051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.507051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.507051 (E_RNA) where: Base-Base interactions energy: -367.963 where: short stacking energy: -199.259 Base-Backbone interact. energy: -1.788 local terms energy: -335.755647 where: bonds (distance) C4'-P energy: -87.751 bonds (distance) P-C4' energy: -91.208 flat angles C4'-P-C4' energy: -86.207 flat angles P-C4'-P energy: -46.210 tors. eta vs tors. theta energy: -24.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -646.438164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.438164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.438164 (E_RNA) where: Base-Base interactions energy: -315.634 where: short stacking energy: -189.674 Base-Backbone interact. energy: -0.090 local terms energy: -330.714655 where: bonds (distance) C4'-P energy: -82.881 bonds (distance) P-C4' energy: -77.347 flat angles C4'-P-C4' energy: -89.875 flat angles P-C4'-P energy: -47.948 tors. eta vs tors. theta energy: -32.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -426.424367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.424367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.424367 (E_RNA) where: Base-Base interactions energy: -160.174 where: short stacking energy: -103.655 Base-Backbone interact. energy: -1.217 local terms energy: -265.033321 where: bonds (distance) C4'-P energy: -85.285 bonds (distance) P-C4' energy: -92.147 flat angles C4'-P-C4' energy: -73.527 flat angles P-C4'-P energy: -30.275 tors. eta vs tors. theta energy: 16.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -392.378264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.378264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.378264 (E_RNA) where: Base-Base interactions energy: -139.111 where: short stacking energy: -115.429 Base-Backbone interact. energy: 3.475 local terms energy: -256.742360 where: bonds (distance) C4'-P energy: -80.800 bonds (distance) P-C4' energy: -88.835 flat angles C4'-P-C4' energy: -72.252 flat angles P-C4'-P energy: -35.268 tors. eta vs tors. theta energy: 20.413 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: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1522.745182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.745182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.745182 (E_RNA) where: Base-Base interactions energy: -989.667 where: short stacking energy: -471.557 Base-Backbone interact. energy: -1.363 local terms energy: -531.714796 where: bonds (distance) C4'-P energy: -103.779 bonds (distance) P-C4' energy: -89.917 flat angles C4'-P-C4' energy: -108.247 flat angles P-C4'-P energy: -82.040 tors. eta vs tors. theta energy: -147.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1451.996151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.996151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.996151 (E_RNA) where: Base-Base interactions energy: -979.636 where: short stacking energy: -426.845 Base-Backbone interact. energy: -2.891 local terms energy: -469.469547 where: bonds (distance) C4'-P energy: -88.300 bonds (distance) P-C4' energy: -99.202 flat angles C4'-P-C4' energy: -101.475 flat angles P-C4'-P energy: -64.024 tors. eta vs tors. theta energy: -116.468 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: 3, replica: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1345.891583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.891583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.891583 (E_RNA) where: Base-Base interactions energy: -877.230 where: short stacking energy: -387.921 Base-Backbone interact. energy: -2.386 local terms energy: -466.276153 where: bonds (distance) C4'-P energy: -81.786 bonds (distance) P-C4' energy: -99.691 flat angles C4'-P-C4' energy: -95.794 flat angles P-C4'-P energy: -72.111 tors. eta vs tors. theta energy: -116.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1154.902414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.902414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.902414 (E_RNA) where: Base-Base interactions energy: -736.700 where: short stacking energy: -327.183 Base-Backbone interact. energy: -0.223 local terms energy: -417.980099 where: bonds (distance) C4'-P energy: -87.294 bonds (distance) P-C4' energy: -92.160 flat angles C4'-P-C4' energy: -93.221 flat angles P-C4'-P energy: -65.758 tors. eta vs tors. theta energy: -79.549 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: 10 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1177.085638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.085638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.085638 (E_RNA) where: Base-Base interactions energy: -731.041 where: short stacking energy: -309.270 Base-Backbone interact. energy: -3.093 local terms energy: -442.951485 where: bonds (distance) C4'-P energy: -83.736 bonds (distance) P-C4' energy: -104.751 flat angles C4'-P-C4' energy: -99.644 flat angles P-C4'-P energy: -62.686 tors. eta vs tors. theta energy: -92.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -906.604786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.604786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.604786 (E_RNA) where: Base-Base interactions energy: -556.608 where: short stacking energy: -288.165 Base-Backbone interact. energy: -0.183 local terms energy: -349.813263 where: bonds (distance) C4'-P energy: -82.011 bonds (distance) P-C4' energy: -98.369 flat angles C4'-P-C4' energy: -87.947 flat angles P-C4'-P energy: -38.890 tors. eta vs tors. theta energy: -42.598 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: 7, replica: 7 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -691.054959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.054959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.054959 (E_RNA) where: Base-Base interactions energy: -383.907 where: short stacking energy: -189.636 Base-Backbone interact. energy: -3.152 local terms energy: -303.995752 where: bonds (distance) C4'-P energy: -64.826 bonds (distance) P-C4' energy: -84.024 flat angles C4'-P-C4' energy: -95.755 flat angles P-C4'-P energy: -55.540 tors. eta vs tors. theta energy: -3.851 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: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -654.073588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.073588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.073588 (E_RNA) where: Base-Base interactions energy: -338.716 where: short stacking energy: -194.791 Base-Backbone interact. energy: 1.192 local terms energy: -316.549073 where: bonds (distance) C4'-P energy: -70.442 bonds (distance) P-C4' energy: -84.004 flat angles C4'-P-C4' energy: -72.454 flat angles P-C4'-P energy: -53.562 tors. eta vs tors. theta energy: -36.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -403.705064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.705064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.705064 (E_RNA) where: Base-Base interactions energy: -154.255 where: short stacking energy: -117.709 Base-Backbone interact. energy: -2.179 local terms energy: -247.270946 where: bonds (distance) C4'-P energy: -75.223 bonds (distance) P-C4' energy: -81.535 flat angles C4'-P-C4' energy: -52.953 flat angles P-C4'-P energy: -48.693 tors. eta vs tors. theta energy: 11.133 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: 1 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -392.755848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.755848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.755848 (E_RNA) where: Base-Base interactions energy: -123.182 where: short stacking energy: -107.760 Base-Backbone interact. energy: 1.817 local terms energy: -271.390302 where: bonds (distance) C4'-P energy: -86.589 bonds (distance) P-C4' energy: -83.541 flat angles C4'-P-C4' energy: -74.712 flat angles P-C4'-P energy: -37.379 tors. eta vs tors. theta energy: 10.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1507.156640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.156640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.156640 (E_RNA) where: Base-Base interactions energy: -1016.644 where: short stacking energy: -445.190 Base-Backbone interact. energy: -1.878 local terms energy: -488.634710 where: bonds (distance) C4'-P energy: -91.659 bonds (distance) P-C4' energy: -91.228 flat angles C4'-P-C4' energy: -107.213 flat angles P-C4'-P energy: -68.217 tors. eta vs tors. theta energy: -130.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1453.176301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.176301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.176301 (E_RNA) where: Base-Base interactions energy: -959.319 where: short stacking energy: -476.609 Base-Backbone interact. energy: -2.577 local terms energy: -491.280238 where: bonds (distance) C4'-P energy: -84.973 bonds (distance) P-C4' energy: -92.867 flat angles C4'-P-C4' energy: -110.621 flat angles P-C4'-P energy: -62.438 tors. eta vs tors. theta energy: -140.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1349.585222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.585222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.585222 (E_RNA) where: Base-Base interactions energy: -875.052 where: short stacking energy: -408.546 Base-Backbone interact. energy: 0.064 local terms energy: -474.596835 where: bonds (distance) C4'-P energy: -97.357 bonds (distance) P-C4' energy: -85.207 flat angles C4'-P-C4' energy: -97.163 flat angles P-C4'-P energy: -72.811 tors. eta vs tors. theta energy: -122.059 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: 252 Temperature: 1.050000 Total energy: -1197.320884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.320884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.320884 (E_RNA) where: Base-Base interactions energy: -757.770 where: short stacking energy: -373.770 Base-Backbone interact. energy: -1.564 local terms energy: -437.987422 where: bonds (distance) C4'-P energy: -91.362 bonds (distance) P-C4' energy: -93.642 flat angles C4'-P-C4' energy: -90.961 flat angles P-C4'-P energy: -66.335 tors. eta vs tors. theta energy: -95.687 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: 10 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1179.823284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.823284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.823284 (E_RNA) where: Base-Base interactions energy: -754.198 where: short stacking energy: -339.333 Base-Backbone interact. energy: -1.809 local terms energy: -423.816084 where: bonds (distance) C4'-P energy: -99.004 bonds (distance) P-C4' energy: -89.330 flat angles C4'-P-C4' energy: -89.090 flat angles P-C4'-P energy: -42.925 tors. eta vs tors. theta energy: -103.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -905.649573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.649573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.649573 (E_RNA) where: Base-Base interactions energy: -540.065 where: short stacking energy: -277.716 Base-Backbone interact. energy: -1.711 local terms energy: -363.873396 where: bonds (distance) C4'-P energy: -81.203 bonds (distance) P-C4' energy: -80.320 flat angles C4'-P-C4' energy: -90.578 flat angles P-C4'-P energy: -55.005 tors. eta vs tors. theta energy: -56.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -769.844354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.844354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.844354 (E_RNA) where: Base-Base interactions energy: -438.995 where: short stacking energy: -213.950 Base-Backbone interact. energy: -3.692 local terms energy: -327.157879 where: bonds (distance) C4'-P energy: -75.218 bonds (distance) P-C4' energy: -79.231 flat angles C4'-P-C4' energy: -92.260 flat angles P-C4'-P energy: -43.876 tors. eta vs tors. theta energy: -36.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -594.541347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.541347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.541347 (E_RNA) where: Base-Base interactions energy: -307.657 where: short stacking energy: -154.782 Base-Backbone interact. energy: 0.361 local terms energy: -287.245716 where: bonds (distance) C4'-P energy: -79.968 bonds (distance) P-C4' energy: -79.500 flat angles C4'-P-C4' energy: -68.295 flat angles P-C4'-P energy: -53.909 tors. eta vs tors. theta energy: -5.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -399.520337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.520337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.520337 (E_RNA) where: Base-Base interactions energy: -140.239 where: short stacking energy: -119.072 Base-Backbone interact. energy: 3.194 local terms energy: -262.474967 where: bonds (distance) C4'-P energy: -75.755 bonds (distance) P-C4' energy: -92.642 flat angles C4'-P-C4' energy: -65.112 flat angles P-C4'-P energy: -44.331 tors. eta vs tors. theta energy: 15.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -379.331939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.331939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.331939 (E_RNA) where: Base-Base interactions energy: -127.518 where: short stacking energy: -109.177 Base-Backbone interact. energy: -1.237 local terms energy: -250.576766 where: bonds (distance) C4'-P energy: -75.528 bonds (distance) P-C4' energy: -67.215 flat angles C4'-P-C4' energy: -78.348 flat angles P-C4'-P energy: -43.034 tors. eta vs tors. theta energy: 13.547 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: 1, replica: 8 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1502.236874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.236874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.236874 (E_RNA) where: Base-Base interactions energy: -1014.078 where: short stacking energy: -435.038 Base-Backbone interact. energy: -5.274 local terms energy: -482.884873 where: bonds (distance) C4'-P energy: -96.540 bonds (distance) P-C4' energy: -87.728 flat angles C4'-P-C4' energy: -104.494 flat angles P-C4'-P energy: -68.614 tors. eta vs tors. theta energy: -125.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1379.303126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.303126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.303126 (E_RNA) where: Base-Base interactions energy: -898.291 where: short stacking energy: -401.277 Base-Backbone interact. energy: -2.163 local terms energy: -478.848813 where: bonds (distance) C4'-P energy: -94.269 bonds (distance) P-C4' energy: -103.869 flat angles C4'-P-C4' energy: -88.156 flat angles P-C4'-P energy: -79.650 tors. eta vs tors. theta energy: -112.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1385.530056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.530056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.530056 (E_RNA) where: Base-Base interactions energy: -905.337 where: short stacking energy: -414.270 Base-Backbone interact. energy: 2.286 local terms energy: -482.478171 where: bonds (distance) C4'-P energy: -90.796 bonds (distance) P-C4' energy: -91.348 flat angles C4'-P-C4' energy: -115.341 flat angles P-C4'-P energy: -60.689 tors. eta vs tors. theta energy: -124.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1212.447612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.447612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.447612 (E_RNA) where: Base-Base interactions energy: -777.376 where: short stacking energy: -406.126 Base-Backbone interact. energy: 0.573 local terms energy: -435.644844 where: bonds (distance) C4'-P energy: -70.002 bonds (distance) P-C4' energy: -90.462 flat angles C4'-P-C4' energy: -98.047 flat angles P-C4'-P energy: -67.591 tors. eta vs tors. theta energy: -109.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1163.543145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.543145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.543145 (E_RNA) where: Base-Base interactions energy: -743.248 where: short stacking energy: -328.909 Base-Backbone interact. energy: -1.426 local terms energy: -418.869121 where: bonds (distance) C4'-P energy: -73.736 bonds (distance) P-C4' energy: -96.393 flat angles C4'-P-C4' energy: -102.740 flat angles P-C4'-P energy: -51.836 tors. eta vs tors. theta energy: -94.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -874.265173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.265173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.265173 (E_RNA) where: Base-Base interactions energy: -539.093 where: short stacking energy: -254.840 Base-Backbone interact. energy: -1.381 local terms energy: -333.791369 where: bonds (distance) C4'-P energy: -57.123 bonds (distance) P-C4' energy: -90.218 flat angles C4'-P-C4' energy: -94.690 flat angles P-C4'-P energy: -49.137 tors. eta vs tors. theta energy: -42.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -727.475654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.475654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.475654 (E_RNA) where: Base-Base interactions energy: -408.852 where: short stacking energy: -228.776 Base-Backbone interact. energy: 0.442 local terms energy: -319.065547 where: bonds (distance) C4'-P energy: -60.685 bonds (distance) P-C4' energy: -87.940 flat angles C4'-P-C4' energy: -83.848 flat angles P-C4'-P energy: -55.468 tors. eta vs tors. theta energy: -31.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -607.197412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.197412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.197412 (E_RNA) where: Base-Base interactions energy: -311.570 where: short stacking energy: -165.674 Base-Backbone interact. energy: -1.588 local terms energy: -294.039613 where: bonds (distance) C4'-P energy: -64.835 bonds (distance) P-C4' energy: -93.593 flat angles C4'-P-C4' energy: -81.514 flat angles P-C4'-P energy: -44.221 tors. eta vs tors. theta energy: -9.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -406.989764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.989764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.989764 (E_RNA) where: Base-Base interactions energy: -143.140 where: short stacking energy: -115.976 Base-Backbone interact. energy: 0.131 local terms energy: -263.980884 where: bonds (distance) C4'-P energy: -93.362 bonds (distance) P-C4' energy: -72.720 flat angles C4'-P-C4' energy: -50.971 flat angles P-C4'-P energy: -49.400 tors. eta vs tors. theta energy: 2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -410.081245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.081245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.081245 (E_RNA) where: Base-Base interactions energy: -159.846 where: short stacking energy: -109.082 Base-Backbone interact. energy: -0.514 local terms energy: -249.721172 where: bonds (distance) C4'-P energy: -78.303 bonds (distance) P-C4' energy: -67.686 flat angles C4'-P-C4' energy: -70.148 flat angles P-C4'-P energy: -31.457 tors. eta vs tors. theta energy: -2.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1484.636917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.636917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.636917 (E_RNA) where: Base-Base interactions energy: -1008.680 where: short stacking energy: -434.538 Base-Backbone interact. energy: -3.616 local terms energy: -472.340317 where: bonds (distance) C4'-P energy: -95.313 bonds (distance) P-C4' energy: -87.762 flat angles C4'-P-C4' energy: -102.939 flat angles P-C4'-P energy: -53.261 tors. eta vs tors. theta energy: -133.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1375.627530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.627530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.627530 (E_RNA) where: Base-Base interactions energy: -917.288 where: short stacking energy: -396.923 Base-Backbone interact. energy: -0.666 local terms energy: -457.673646 where: bonds (distance) C4'-P energy: -84.925 bonds (distance) P-C4' energy: -105.570 flat angles C4'-P-C4' energy: -93.161 flat angles P-C4'-P energy: -69.041 tors. eta vs tors. theta energy: -104.976 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: 4 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1404.218970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.218970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.218970 (E_RNA) where: Base-Base interactions energy: -906.558 where: short stacking energy: -437.194 Base-Backbone interact. energy: -1.006 local terms energy: -496.655880 where: bonds (distance) C4'-P energy: -100.206 bonds (distance) P-C4' energy: -94.811 flat angles C4'-P-C4' energy: -106.284 flat angles P-C4'-P energy: -61.506 tors. eta vs tors. theta energy: -133.849 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: 4, replica: 2 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1222.939848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.939848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.939848 (E_RNA) where: Base-Base interactions energy: -790.045 where: short stacking energy: -383.312 Base-Backbone interact. energy: 0.271 local terms energy: -433.166187 where: bonds (distance) C4'-P energy: -85.991 bonds (distance) P-C4' energy: -85.498 flat angles C4'-P-C4' energy: -92.958 flat angles P-C4'-P energy: -68.386 tors. eta vs tors. theta energy: -100.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1185.550372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.550372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.550372 (E_RNA) where: Base-Base interactions energy: -758.351 where: short stacking energy: -340.659 Base-Backbone interact. energy: -1.683 local terms energy: -425.516867 where: bonds (distance) C4'-P energy: -96.021 bonds (distance) P-C4' energy: -86.006 flat angles C4'-P-C4' energy: -95.126 flat angles P-C4'-P energy: -57.367 tors. eta vs tors. theta energy: -90.998 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: 3 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -864.736266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.736266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.736266 (E_RNA) where: Base-Base interactions energy: -504.122 where: short stacking energy: -259.887 Base-Backbone interact. energy: 0.387 local terms energy: -361.000711 where: bonds (distance) C4'-P energy: -86.407 bonds (distance) P-C4' energy: -78.050 flat angles C4'-P-C4' energy: -79.064 flat angles P-C4'-P energy: -65.489 tors. eta vs tors. theta energy: -51.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -696.969315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.969315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.969315 (E_RNA) where: Base-Base interactions energy: -382.047 where: short stacking energy: -219.293 Base-Backbone interact. energy: 1.942 local terms energy: -316.864530 where: bonds (distance) C4'-P energy: -85.497 bonds (distance) P-C4' energy: -92.322 flat angles C4'-P-C4' energy: -71.121 flat angles P-C4'-P energy: -35.308 tors. eta vs tors. theta energy: -32.615 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: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -610.328271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.328271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.328271 (E_RNA) where: Base-Base interactions energy: -327.246 where: short stacking energy: -179.974 Base-Backbone interact. energy: 0.200 local terms energy: -283.281484 where: bonds (distance) C4'-P energy: -73.802 bonds (distance) P-C4' energy: -77.210 flat angles C4'-P-C4' energy: -74.557 flat angles P-C4'-P energy: -39.732 tors. eta vs tors. theta energy: -17.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -415.554001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.554001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.554001 (E_RNA) where: Base-Base interactions energy: -152.815 where: short stacking energy: -116.315 Base-Backbone interact. energy: 2.098 local terms energy: -264.836889 where: bonds (distance) C4'-P energy: -82.850 bonds (distance) P-C4' energy: -80.513 flat angles C4'-P-C4' energy: -57.702 flat angles P-C4'-P energy: -48.453 tors. eta vs tors. theta energy: 4.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -379.635458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.635458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.635458 (E_RNA) where: Base-Base interactions energy: -126.134 where: short stacking energy: -112.988 Base-Backbone interact. energy: 2.961 local terms energy: -256.462189 where: bonds (distance) C4'-P energy: -85.330 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -65.655 flat angles P-C4'-P energy: -37.939 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: 1, replica: 8 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1537.454328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.454328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.454328 (E_RNA) where: Base-Base interactions energy: -1022.712 where: short stacking energy: -453.524 Base-Backbone interact. energy: -2.925 local terms energy: -511.816807 where: bonds (distance) C4'-P energy: -97.360 bonds (distance) P-C4' energy: -96.188 flat angles C4'-P-C4' energy: -105.415 flat angles P-C4'-P energy: -77.530 tors. eta vs tors. theta energy: -135.323 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: 4 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1433.960127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.960127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.960127 (E_RNA) where: Base-Base interactions energy: -935.960 where: short stacking energy: -427.856 Base-Backbone interact. energy: -0.123 local terms energy: -497.877691 where: bonds (distance) C4'-P energy: -102.944 bonds (distance) P-C4' energy: -94.644 flat angles C4'-P-C4' energy: -94.214 flat angles P-C4'-P energy: -74.522 tors. eta vs tors. theta energy: -131.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1350.415826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.415826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.415826 (E_RNA) where: Base-Base interactions energy: -885.684 where: short stacking energy: -423.678 Base-Backbone interact. energy: -2.332 local terms energy: -462.399721 where: bonds (distance) C4'-P energy: -81.432 bonds (distance) P-C4' energy: -89.835 flat angles C4'-P-C4' energy: -100.038 flat angles P-C4'-P energy: -69.378 tors. eta vs tors. theta energy: -121.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1263.805734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.805734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.805734 (E_RNA) where: Base-Base interactions energy: -812.756 where: short stacking energy: -392.454 Base-Backbone interact. energy: -0.357 local terms energy: -450.692653 where: bonds (distance) C4'-P energy: -90.343 bonds (distance) P-C4' energy: -92.012 flat angles C4'-P-C4' energy: -97.798 flat angles P-C4'-P energy: -63.514 tors. eta vs tors. theta energy: -107.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1166.957308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.957308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.957308 (E_RNA) where: Base-Base interactions energy: -751.686 where: short stacking energy: -363.896 Base-Backbone interact. energy: -0.563 local terms energy: -414.708079 where: bonds (distance) C4'-P energy: -91.240 bonds (distance) P-C4' energy: -87.381 flat angles C4'-P-C4' energy: -83.688 flat angles P-C4'-P energy: -50.354 tors. eta vs tors. theta energy: -102.046 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: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -940.804724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.804724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.804724 (E_RNA) where: Base-Base interactions energy: -573.396 where: short stacking energy: -273.494 Base-Backbone interact. energy: -0.464 local terms energy: -366.944787 where: bonds (distance) C4'-P energy: -91.694 bonds (distance) P-C4' energy: -84.325 flat angles C4'-P-C4' energy: -71.027 flat angles P-C4'-P energy: -59.290 tors. eta vs tors. theta energy: -60.609 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: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -703.358059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.358059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.358059 (E_RNA) where: Base-Base interactions energy: -395.096 where: short stacking energy: -225.797 Base-Backbone interact. energy: -1.845 local terms energy: -306.416902 where: bonds (distance) C4'-P energy: -81.896 bonds (distance) P-C4' energy: -74.966 flat angles C4'-P-C4' energy: -75.981 flat angles P-C4'-P energy: -51.075 tors. eta vs tors. theta energy: -22.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -641.943660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.943660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.943660 (E_RNA) where: Base-Base interactions energy: -321.489 where: short stacking energy: -179.106 Base-Backbone interact. energy: -1.623 local terms energy: -318.830991 where: bonds (distance) C4'-P energy: -91.552 bonds (distance) P-C4' energy: -91.785 flat angles C4'-P-C4' energy: -78.973 flat angles P-C4'-P energy: -41.237 tors. eta vs tors. theta energy: -15.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -444.747339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.747339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.747339 (E_RNA) where: Base-Base interactions energy: -151.073 where: short stacking energy: -114.092 Base-Backbone interact. energy: 3.888 local terms energy: -297.562417 where: bonds (distance) C4'-P energy: -81.533 bonds (distance) P-C4' energy: -97.701 flat angles C4'-P-C4' energy: -89.796 flat angles P-C4'-P energy: -41.384 tors. eta vs tors. theta energy: 12.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -428.985959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.985959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.985959 (E_RNA) where: Base-Base interactions energy: -172.163 where: short stacking energy: -111.975 Base-Backbone interact. energy: 1.241 local terms energy: -258.064418 where: bonds (distance) C4'-P energy: -65.729 bonds (distance) P-C4' energy: -79.866 flat angles C4'-P-C4' energy: -67.091 flat angles P-C4'-P energy: -51.537 tors. eta vs tors. theta energy: 6.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1512.759121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.759121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.759121 (E_RNA) where: Base-Base interactions energy: -1023.613 where: short stacking energy: -452.382 Base-Backbone interact. energy: -3.738 local terms energy: -485.407844 where: bonds (distance) C4'-P energy: -72.879 bonds (distance) P-C4' energy: -102.871 flat angles C4'-P-C4' energy: -105.488 flat angles P-C4'-P energy: -74.684 tors. eta vs tors. theta energy: -129.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1432.333992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.333992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.333992 (E_RNA) where: Base-Base interactions energy: -941.895 where: short stacking energy: -429.402 Base-Backbone interact. energy: -1.000 local terms energy: -489.438499 where: bonds (distance) C4'-P energy: -85.801 bonds (distance) P-C4' energy: -98.231 flat angles C4'-P-C4' energy: -98.847 flat angles P-C4'-P energy: -78.326 tors. eta vs tors. theta energy: -128.233 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: 6 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1324.262498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.262498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.262498 (E_RNA) where: Base-Base interactions energy: -859.414 where: short stacking energy: -396.027 Base-Backbone interact. energy: -2.185 local terms energy: -462.663707 where: bonds (distance) C4'-P energy: -86.868 bonds (distance) P-C4' energy: -87.297 flat angles C4'-P-C4' energy: -106.752 flat angles P-C4'-P energy: -75.111 tors. eta vs tors. theta energy: -106.636 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: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1181.210514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.210514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.210514 (E_RNA) where: Base-Base interactions energy: -762.747 where: short stacking energy: -367.571 Base-Backbone interact. energy: -1.515 local terms energy: -416.949000 where: bonds (distance) C4'-P energy: -81.910 bonds (distance) P-C4' energy: -79.829 flat angles C4'-P-C4' energy: -92.485 flat angles P-C4'-P energy: -68.882 tors. eta vs tors. theta energy: -93.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1156.429236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.429236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.429236 (E_RNA) where: Base-Base interactions energy: -758.742 where: short stacking energy: -338.927 Base-Backbone interact. energy: 0.982 local terms energy: -398.669526 where: bonds (distance) C4'-P energy: -88.500 bonds (distance) P-C4' energy: -81.783 flat angles C4'-P-C4' energy: -82.240 flat angles P-C4'-P energy: -52.220 tors. eta vs tors. theta energy: -93.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -932.735566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.735566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.735566 (E_RNA) where: Base-Base interactions energy: -564.971 where: short stacking energy: -276.292 Base-Backbone interact. energy: -2.331 local terms energy: -365.433152 where: bonds (distance) C4'-P energy: -80.743 bonds (distance) P-C4' energy: -92.509 flat angles C4'-P-C4' energy: -84.343 flat angles P-C4'-P energy: -52.683 tors. eta vs tors. theta energy: -55.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -720.170254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.170254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.170254 (E_RNA) where: Base-Base interactions energy: -389.561 where: short stacking energy: -193.392 Base-Backbone interact. energy: -4.409 local terms energy: -326.200110 where: bonds (distance) C4'-P energy: -80.999 bonds (distance) P-C4' energy: -88.677 flat angles C4'-P-C4' energy: -82.516 flat angles P-C4'-P energy: -50.925 tors. eta vs tors. theta energy: -23.083 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: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -580.926194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.926194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.926194 (E_RNA) where: Base-Base interactions energy: -294.616 where: short stacking energy: -165.265 Base-Backbone interact. energy: 2.510 local terms energy: -288.820191 where: bonds (distance) C4'-P energy: -89.253 bonds (distance) P-C4' energy: -82.770 flat angles C4'-P-C4' energy: -66.012 flat angles P-C4'-P energy: -35.510 tors. eta vs tors. theta energy: -15.276 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: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -434.809398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.809398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.809398 (E_RNA) where: Base-Base interactions energy: -143.209 where: short stacking energy: -125.663 Base-Backbone interact. energy: 0.762 local terms energy: -292.362546 where: bonds (distance) C4'-P energy: -96.265 bonds (distance) P-C4' energy: -86.953 flat angles C4'-P-C4' energy: -69.399 flat angles P-C4'-P energy: -36.902 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -400.956438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.956438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.956438 (E_RNA) where: Base-Base interactions energy: -147.124 where: short stacking energy: -103.783 Base-Backbone interact. energy: -1.888 local terms energy: -251.944978 where: bonds (distance) C4'-P energy: -72.882 bonds (distance) P-C4' energy: -90.265 flat angles C4'-P-C4' energy: -68.742 flat angles P-C4'-P energy: -31.927 tors. eta vs tors. theta energy: 11.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1503.296384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.296384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.296384 (E_RNA) where: Base-Base interactions energy: -996.527 where: short stacking energy: -442.911 Base-Backbone interact. energy: -4.137 local terms energy: -502.632573 where: bonds (distance) C4'-P energy: -100.686 bonds (distance) P-C4' energy: -100.910 flat angles C4'-P-C4' energy: -103.850 flat angles P-C4'-P energy: -71.872 tors. eta vs tors. theta energy: -125.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1414.349081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.349081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.349081 (E_RNA) where: Base-Base interactions energy: -945.925 where: short stacking energy: -436.100 Base-Backbone interact. energy: -3.648 local terms energy: -464.776060 where: bonds (distance) C4'-P energy: -81.678 bonds (distance) P-C4' energy: -92.706 flat angles C4'-P-C4' energy: -95.158 flat angles P-C4'-P energy: -68.269 tors. eta vs tors. theta energy: -126.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1350.251508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.251508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.251508 (E_RNA) where: Base-Base interactions energy: -890.620 where: short stacking energy: -413.809 Base-Backbone interact. energy: -3.727 local terms energy: -455.904656 where: bonds (distance) C4'-P energy: -89.709 bonds (distance) P-C4' energy: -85.940 flat angles C4'-P-C4' energy: -98.490 flat angles P-C4'-P energy: -62.442 tors. eta vs tors. theta energy: -119.324 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: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1192.056000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.056000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.056000 (E_RNA) where: Base-Base interactions energy: -732.342 where: short stacking energy: -368.968 Base-Backbone interact. energy: -0.549 local terms energy: -459.165024 where: bonds (distance) C4'-P energy: -98.482 bonds (distance) P-C4' energy: -94.713 flat angles C4'-P-C4' energy: -92.052 flat angles P-C4'-P energy: -66.544 tors. eta vs tors. theta energy: -107.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1155.960776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.960776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.960776 (E_RNA) where: Base-Base interactions energy: -751.169 where: short stacking energy: -342.588 Base-Backbone interact. energy: -1.493 local terms energy: -403.299373 where: bonds (distance) C4'-P energy: -81.170 bonds (distance) P-C4' energy: -86.667 flat angles C4'-P-C4' energy: -94.750 flat angles P-C4'-P energy: -57.492 tors. eta vs tors. theta energy: -83.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -886.615832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.615832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.615832 (E_RNA) where: Base-Base interactions energy: -531.435 where: short stacking energy: -262.368 Base-Backbone interact. energy: -0.698 local terms energy: -354.482514 where: bonds (distance) C4'-P energy: -86.508 bonds (distance) P-C4' energy: -94.671 flat angles C4'-P-C4' energy: -78.139 flat angles P-C4'-P energy: -41.180 tors. eta vs tors. theta energy: -53.986 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: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -687.838405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.838405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.838405 (E_RNA) where: Base-Base interactions energy: -364.880 where: short stacking energy: -203.534 Base-Backbone interact. energy: 1.198 local terms energy: -324.155553 where: bonds (distance) C4'-P energy: -82.730 bonds (distance) P-C4' energy: -86.093 flat angles C4'-P-C4' energy: -67.415 flat angles P-C4'-P energy: -45.854 tors. eta vs tors. theta energy: -42.063 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: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -612.912542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.912542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.912542 (E_RNA) where: Base-Base interactions energy: -289.204 where: short stacking energy: -171.879 Base-Backbone interact. energy: -0.804 local terms energy: -322.904628 where: bonds (distance) C4'-P energy: -74.698 bonds (distance) P-C4' energy: -83.213 flat angles C4'-P-C4' energy: -80.008 flat angles P-C4'-P energy: -59.410 tors. eta vs tors. theta energy: -25.575 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: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -391.985572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.985572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.985572 (E_RNA) where: Base-Base interactions energy: -136.765 where: short stacking energy: -120.720 Base-Backbone interact. energy: 1.290 local terms energy: -256.510721 where: bonds (distance) C4'-P energy: -79.529 bonds (distance) P-C4' energy: -96.484 flat angles C4'-P-C4' energy: -71.867 flat angles P-C4'-P energy: -33.556 tors. eta vs tors. theta energy: 24.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -397.299036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.299036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.299036 (E_RNA) where: Base-Base interactions energy: -129.437 where: short stacking energy: -110.132 Base-Backbone interact. energy: 2.288 local terms energy: -270.149942 where: bonds (distance) C4'-P energy: -76.413 bonds (distance) P-C4' energy: -98.049 flat angles C4'-P-C4' energy: -66.137 flat angles P-C4'-P energy: -34.775 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: 1, replica: 8 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1494.469563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.469563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.469563 (E_RNA) where: Base-Base interactions energy: -1015.200 where: short stacking energy: -457.260 Base-Backbone interact. energy: -4.862 local terms energy: -474.407192 where: bonds (distance) C4'-P energy: -86.364 bonds (distance) P-C4' energy: -93.608 flat angles C4'-P-C4' energy: -96.844 flat angles P-C4'-P energy: -68.287 tors. eta vs tors. theta energy: -129.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1457.849123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.849123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.849123 (E_RNA) where: Base-Base interactions energy: -967.254 where: short stacking energy: -469.221 Base-Backbone interact. energy: -4.473 local terms energy: -486.121678 where: bonds (distance) C4'-P energy: -83.849 bonds (distance) P-C4' energy: -88.464 flat angles C4'-P-C4' energy: -115.874 flat angles P-C4'-P energy: -61.265 tors. eta vs tors. theta energy: -136.671 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: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1392.514463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.514463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.514463 (E_RNA) where: Base-Base interactions energy: -919.188 where: short stacking energy: -408.118 Base-Backbone interact. energy: -1.293 local terms energy: -472.033067 where: bonds (distance) C4'-P energy: -86.712 bonds (distance) P-C4' energy: -98.416 flat angles C4'-P-C4' energy: -106.152 flat angles P-C4'-P energy: -57.741 tors. eta vs tors. theta energy: -123.012 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: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1180.351033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.351033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.351033 (E_RNA) where: Base-Base interactions energy: -737.290 where: short stacking energy: -343.342 Base-Backbone interact. energy: 2.335 local terms energy: -445.396617 where: bonds (distance) C4'-P energy: -91.964 bonds (distance) P-C4' energy: -94.860 flat angles C4'-P-C4' energy: -104.695 flat angles P-C4'-P energy: -58.908 tors. eta vs tors. theta energy: -94.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1136.500607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.500607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.500607 (E_RNA) where: Base-Base interactions energy: -710.655 where: short stacking energy: -322.119 Base-Backbone interact. energy: -2.174 local terms energy: -423.671013 where: bonds (distance) C4'-P energy: -87.993 bonds (distance) P-C4' energy: -92.934 flat angles C4'-P-C4' energy: -90.314 flat angles P-C4'-P energy: -70.889 tors. eta vs tors. theta energy: -81.540 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: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -863.152443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.152443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.152443 (E_RNA) where: Base-Base interactions energy: -528.140 where: short stacking energy: -252.603 Base-Backbone interact. energy: 0.527 local terms energy: -335.540173 where: bonds (distance) C4'-P energy: -76.091 bonds (distance) P-C4' energy: -79.990 flat angles C4'-P-C4' energy: -86.075 flat angles P-C4'-P energy: -50.591 tors. eta vs tors. theta energy: -42.793 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: 7 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -682.492935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.492935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.492935 (E_RNA) where: Base-Base interactions energy: -368.127 where: short stacking energy: -193.059 Base-Backbone interact. energy: 0.021 local terms energy: -314.387414 where: bonds (distance) C4'-P energy: -87.408 bonds (distance) P-C4' energy: -84.408 flat angles C4'-P-C4' energy: -76.258 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -24.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -594.339501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.339501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.339501 (E_RNA) where: Base-Base interactions energy: -291.016 where: short stacking energy: -165.477 Base-Backbone interact. energy: -1.134 local terms energy: -302.188807 where: bonds (distance) C4'-P energy: -89.470 bonds (distance) P-C4' energy: -87.191 flat angles C4'-P-C4' energy: -73.919 flat angles P-C4'-P energy: -44.185 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -398.546149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.546149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.546149 (E_RNA) where: Base-Base interactions energy: -126.182 where: short stacking energy: -102.854 Base-Backbone interact. energy: 6.892 local terms energy: -279.256589 where: bonds (distance) C4'-P energy: -69.657 bonds (distance) P-C4' energy: -104.906 flat angles C4'-P-C4' energy: -73.537 flat angles P-C4'-P energy: -56.552 tors. eta vs tors. theta energy: 25.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -380.920492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.920492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.920492 (E_RNA) where: Base-Base interactions energy: -144.846 where: short stacking energy: -131.451 Base-Backbone interact. energy: 5.614 local terms energy: -241.688547 where: bonds (distance) C4'-P energy: -65.034 bonds (distance) P-C4' energy: -84.217 flat angles C4'-P-C4' energy: -58.277 flat angles P-C4'-P energy: -45.885 tors. eta vs tors. theta energy: 11.725 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: 8 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1522.133326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.133326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.133326 (E_RNA) where: Base-Base interactions energy: -1023.258 where: short stacking energy: -442.833 Base-Backbone interact. energy: -3.076 local terms energy: -495.799852 where: bonds (distance) C4'-P energy: -94.235 bonds (distance) P-C4' energy: -107.264 flat angles C4'-P-C4' energy: -96.031 flat angles P-C4'-P energy: -68.422 tors. eta vs tors. theta energy: -129.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1438.615924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.615924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.615924 (E_RNA) where: Base-Base interactions energy: -940.631 where: short stacking energy: -455.061 Base-Backbone interact. energy: -4.491 local terms energy: -493.493251 where: bonds (distance) C4'-P energy: -90.028 bonds (distance) P-C4' energy: -99.143 flat angles C4'-P-C4' energy: -104.926 flat angles P-C4'-P energy: -69.264 tors. eta vs tors. theta energy: -130.133 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: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1383.512824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.512824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.512824 (E_RNA) where: Base-Base interactions energy: -890.933 where: short stacking energy: -391.541 Base-Backbone interact. energy: -3.999 local terms energy: -488.580300 where: bonds (distance) C4'-P energy: -93.191 bonds (distance) P-C4' energy: -102.646 flat angles C4'-P-C4' energy: -103.749 flat angles P-C4'-P energy: -64.952 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: 4, replica: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1168.280078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.280078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.280078 (E_RNA) where: Base-Base interactions energy: -725.675 where: short stacking energy: -363.461 Base-Backbone interact. energy: -2.290 local terms energy: -440.314709 where: bonds (distance) C4'-P energy: -96.069 bonds (distance) P-C4' energy: -91.621 flat angles C4'-P-C4' energy: -92.500 flat angles P-C4'-P energy: -60.520 tors. eta vs tors. theta energy: -99.604 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: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1122.769896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.769896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.769896 (E_RNA) where: Base-Base interactions energy: -719.199 where: short stacking energy: -333.917 Base-Backbone interact. energy: 1.108 local terms energy: -404.678963 where: bonds (distance) C4'-P energy: -88.107 bonds (distance) P-C4' energy: -82.001 flat angles C4'-P-C4' energy: -90.919 flat angles P-C4'-P energy: -51.067 tors. eta vs tors. theta energy: -92.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -784.260821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.260821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.260821 (E_RNA) where: Base-Base interactions energy: -460.629 where: short stacking energy: -244.416 Base-Backbone interact. energy: 7.474 local terms energy: -331.105211 where: bonds (distance) C4'-P energy: -73.550 bonds (distance) P-C4' energy: -75.893 flat angles C4'-P-C4' energy: -94.046 flat angles P-C4'-P energy: -44.102 tors. eta vs tors. theta energy: -43.514 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: 7, replica: 7 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -688.495962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.495962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.495962 (E_RNA) where: Base-Base interactions energy: -357.418 where: short stacking energy: -210.925 Base-Backbone interact. energy: -1.189 local terms energy: -329.889029 where: bonds (distance) C4'-P energy: -72.578 bonds (distance) P-C4' energy: -80.022 flat angles C4'-P-C4' energy: -85.615 flat angles P-C4'-P energy: -59.269 tors. eta vs tors. theta energy: -32.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -674.418442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.418442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.418442 (E_RNA) where: Base-Base interactions energy: -348.927 where: short stacking energy: -185.236 Base-Backbone interact. energy: 5.637 local terms energy: -331.128220 where: bonds (distance) C4'-P energy: -79.721 bonds (distance) P-C4' energy: -88.924 flat angles C4'-P-C4' energy: -79.485 flat angles P-C4'-P energy: -54.321 tors. eta vs tors. theta energy: -28.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -421.403100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.403100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.403100 (E_RNA) where: Base-Base interactions energy: -146.614 where: short stacking energy: -113.430 Base-Backbone interact. energy: 0.020 local terms energy: -274.808883 where: bonds (distance) C4'-P energy: -65.594 bonds (distance) P-C4' energy: -89.756 flat angles C4'-P-C4' energy: -68.011 flat angles P-C4'-P energy: -50.028 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -415.166808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.166808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.166808 (E_RNA) where: Base-Base interactions energy: -160.560 where: short stacking energy: -132.188 Base-Backbone interact. energy: 0.871 local terms energy: -255.478026 where: bonds (distance) C4'-P energy: -66.069 bonds (distance) P-C4' energy: -85.229 flat angles C4'-P-C4' energy: -64.010 flat angles P-C4'-P energy: -45.849 tors. eta vs tors. theta energy: 5.679 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: 8 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1491.535898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.535898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.535898 (E_RNA) where: Base-Base interactions energy: -1017.260 where: short stacking energy: -417.124 Base-Backbone interact. energy: -3.453 local terms energy: -470.822596 where: bonds (distance) C4'-P energy: -87.046 bonds (distance) P-C4' energy: -90.685 flat angles C4'-P-C4' energy: -98.858 flat angles P-C4'-P energy: -69.042 tors. eta vs tors. theta energy: -125.191 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: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1431.921699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.921699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.921699 (E_RNA) where: Base-Base interactions energy: -951.030 where: short stacking energy: -446.425 Base-Backbone interact. energy: -1.675 local terms energy: -479.216718 where: bonds (distance) C4'-P energy: -93.485 bonds (distance) P-C4' energy: -100.324 flat angles C4'-P-C4' energy: -104.026 flat angles P-C4'-P energy: -66.933 tors. eta vs tors. theta energy: -114.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1325.736476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.736476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.736476 (E_RNA) where: Base-Base interactions energy: -862.789 where: short stacking energy: -376.137 Base-Backbone interact. energy: -0.115 local terms energy: -462.833014 where: bonds (distance) C4'-P energy: -89.699 bonds (distance) P-C4' energy: -96.805 flat angles C4'-P-C4' energy: -109.592 flat angles P-C4'-P energy: -62.015 tors. eta vs tors. theta energy: -104.722 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: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1141.311584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.311584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.311584 (E_RNA) where: Base-Base interactions energy: -713.744 where: short stacking energy: -355.973 Base-Backbone interact. energy: -3.281 local terms energy: -424.286730 where: bonds (distance) C4'-P energy: -86.018 bonds (distance) P-C4' energy: -83.844 flat angles C4'-P-C4' energy: -98.793 flat angles P-C4'-P energy: -58.127 tors. eta vs tors. theta energy: -97.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1109.291898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.291898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.291898 (E_RNA) where: Base-Base interactions energy: -704.127 where: short stacking energy: -338.014 Base-Backbone interact. energy: 2.332 local terms energy: -407.496687 where: bonds (distance) C4'-P energy: -83.599 bonds (distance) P-C4' energy: -89.330 flat angles C4'-P-C4' energy: -95.488 flat angles P-C4'-P energy: -52.282 tors. eta vs tors. theta energy: -86.797 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: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -832.661909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.661909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.661909 (E_RNA) where: Base-Base interactions energy: -465.215 where: short stacking energy: -211.986 Base-Backbone interact. energy: 0.472 local terms energy: -367.919132 where: bonds (distance) C4'-P energy: -95.104 bonds (distance) P-C4' energy: -79.633 flat angles C4'-P-C4' energy: -87.588 flat angles P-C4'-P energy: -61.293 tors. eta vs tors. theta energy: -44.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -666.456140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.456140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.456140 (E_RNA) where: Base-Base interactions energy: -342.185 where: short stacking energy: -170.789 Base-Backbone interact. energy: -1.164 local terms energy: -323.107402 where: bonds (distance) C4'-P energy: -91.725 bonds (distance) P-C4' energy: -87.065 flat angles C4'-P-C4' energy: -74.301 flat angles P-C4'-P energy: -55.830 tors. eta vs tors. theta energy: -14.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -636.160579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.160579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.160579 (E_RNA) where: Base-Base interactions energy: -338.690 where: short stacking energy: -175.978 Base-Backbone interact. energy: -3.309 local terms energy: -294.162337 where: bonds (distance) C4'-P energy: -67.620 bonds (distance) P-C4' energy: -78.498 flat angles C4'-P-C4' energy: -80.436 flat angles P-C4'-P energy: -50.547 tors. eta vs tors. theta energy: -17.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -402.084100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.084100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.084100 (E_RNA) where: Base-Base interactions energy: -127.646 where: short stacking energy: -103.581 Base-Backbone interact. energy: -1.890 local terms energy: -272.548063 where: bonds (distance) C4'-P energy: -79.698 bonds (distance) P-C4' energy: -75.332 flat angles C4'-P-C4' energy: -80.815 flat angles P-C4'-P energy: -42.091 tors. eta vs tors. theta energy: 5.389 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: 5 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -381.082196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.082196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.082196 (E_RNA) where: Base-Base interactions energy: -147.820 where: short stacking energy: -110.094 Base-Backbone interact. energy: -0.801 local terms energy: -232.461799 where: bonds (distance) C4'-P energy: -72.420 bonds (distance) P-C4' energy: -74.957 flat angles C4'-P-C4' energy: -71.084 flat angles P-C4'-P energy: -27.557 tors. eta vs tors. theta energy: 13.556 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: 8 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1519.633069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.633069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.633069 (E_RNA) where: Base-Base interactions energy: -1011.123 where: short stacking energy: -428.747 Base-Backbone interact. energy: -4.748 local terms energy: -503.762206 where: bonds (distance) C4'-P energy: -105.002 bonds (distance) P-C4' energy: -98.293 flat angles C4'-P-C4' energy: -110.606 flat angles P-C4'-P energy: -61.779 tors. eta vs tors. theta energy: -128.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1439.737000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.737000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.737000 (E_RNA) where: Base-Base interactions energy: -936.002 where: short stacking energy: -417.250 Base-Backbone interact. energy: -0.779 local terms energy: -502.956046 where: bonds (distance) C4'-P energy: -88.961 bonds (distance) P-C4' energy: -96.117 flat angles C4'-P-C4' energy: -108.490 flat angles P-C4'-P energy: -80.082 tors. eta vs tors. theta energy: -129.306 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: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1349.050107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.050107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.050107 (E_RNA) where: Base-Base interactions energy: -888.736 where: short stacking energy: -414.800 Base-Backbone interact. energy: -2.585 local terms energy: -457.729688 where: bonds (distance) C4'-P energy: -86.699 bonds (distance) P-C4' energy: -91.139 flat angles C4'-P-C4' energy: -97.418 flat angles P-C4'-P energy: -55.268 tors. eta vs tors. theta energy: -127.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1139.203022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.203022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.203022 (E_RNA) where: Base-Base interactions energy: -719.231 where: short stacking energy: -358.420 Base-Backbone interact. energy: 1.835 local terms energy: -421.806669 where: bonds (distance) C4'-P energy: -86.597 bonds (distance) P-C4' energy: -97.455 flat angles C4'-P-C4' energy: -103.416 flat angles P-C4'-P energy: -50.607 tors. eta vs tors. theta energy: -83.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1124.565692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.565692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.565692 (E_RNA) where: Base-Base interactions energy: -702.700 where: short stacking energy: -339.332 Base-Backbone interact. energy: -0.584 local terms energy: -421.281658 where: bonds (distance) C4'-P energy: -76.519 bonds (distance) P-C4' energy: -103.114 flat angles C4'-P-C4' energy: -84.142 flat angles P-C4'-P energy: -63.134 tors. eta vs tors. theta energy: -94.372 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: 6, replica: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -882.259171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.259171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.259171 (E_RNA) where: Base-Base interactions energy: -525.252 where: short stacking energy: -281.304 Base-Backbone interact. energy: -1.502 local terms energy: -355.505530 where: bonds (distance) C4'-P energy: -91.449 bonds (distance) P-C4' energy: -77.831 flat angles C4'-P-C4' energy: -86.302 flat angles P-C4'-P energy: -48.390 tors. eta vs tors. theta energy: -51.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -674.302064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.302064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.302064 (E_RNA) where: Base-Base interactions energy: -340.619 where: short stacking energy: -199.872 Base-Backbone interact. energy: -0.688 local terms energy: -332.995038 where: bonds (distance) C4'-P energy: -80.273 bonds (distance) P-C4' energy: -97.235 flat angles C4'-P-C4' energy: -88.506 flat angles P-C4'-P energy: -42.751 tors. eta vs tors. theta energy: -24.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -659.645642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.645642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.645642 (E_RNA) where: Base-Base interactions energy: -333.125 where: short stacking energy: -194.172 Base-Backbone interact. energy: 0.302 local terms energy: -326.822766 where: bonds (distance) C4'-P energy: -81.552 bonds (distance) P-C4' energy: -85.104 flat angles C4'-P-C4' energy: -86.914 flat angles P-C4'-P energy: -55.020 tors. eta vs tors. theta energy: -18.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -380.385594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.385594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.385594 (E_RNA) where: Base-Base interactions energy: -124.306 where: short stacking energy: -103.309 Base-Backbone interact. energy: -2.276 local terms energy: -253.802634 where: bonds (distance) C4'-P energy: -93.522 bonds (distance) P-C4' energy: -77.207 flat angles C4'-P-C4' energy: -67.657 flat angles P-C4'-P energy: -37.643 tors. eta vs tors. theta energy: 22.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -375.181014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.181014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.181014 (E_RNA) where: Base-Base interactions energy: -110.274 where: short stacking energy: -99.898 Base-Backbone interact. energy: 0.907 local terms energy: -265.813639 where: bonds (distance) C4'-P energy: -73.943 bonds (distance) P-C4' energy: -88.793 flat angles C4'-P-C4' energy: -64.106 flat angles P-C4'-P energy: -40.192 tors. eta vs tors. theta energy: 1.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1510.663838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.663838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.663838 (E_RNA) where: Base-Base interactions energy: -1012.634 where: short stacking energy: -450.160 Base-Backbone interact. energy: -2.788 local terms energy: -495.241844 where: bonds (distance) C4'-P energy: -98.593 bonds (distance) P-C4' energy: -95.579 flat angles C4'-P-C4' energy: -106.768 flat angles P-C4'-P energy: -70.029 tors. eta vs tors. theta energy: -124.274 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: 4 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1452.179858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.179858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.179858 (E_RNA) where: Base-Base interactions energy: -975.693 where: short stacking energy: -466.911 Base-Backbone interact. energy: -0.689 local terms energy: -475.797799 where: bonds (distance) C4'-P energy: -82.897 bonds (distance) P-C4' energy: -92.656 flat angles C4'-P-C4' energy: -110.887 flat angles P-C4'-P energy: -57.117 tors. eta vs tors. theta energy: -132.240 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: 3, replica: 6 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1359.344815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.344815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.344815 (E_RNA) where: Base-Base interactions energy: -939.729 where: short stacking energy: -408.802 Base-Backbone interact. energy: 3.437 local terms energy: -423.053422 where: bonds (distance) C4'-P energy: -78.064 bonds (distance) P-C4' energy: -80.287 flat angles C4'-P-C4' energy: -99.279 flat angles P-C4'-P energy: -56.450 tors. eta vs tors. theta energy: -108.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1154.660561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.660561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.660561 (E_RNA) where: Base-Base interactions energy: -731.172 where: short stacking energy: -359.744 Base-Backbone interact. energy: 4.792 local terms energy: -428.280016 where: bonds (distance) C4'-P energy: -88.487 bonds (distance) P-C4' energy: -94.606 flat angles C4'-P-C4' energy: -93.289 flat angles P-C4'-P energy: -57.577 tors. eta vs tors. theta energy: -94.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1126.157289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.157289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.157289 (E_RNA) where: Base-Base interactions energy: -712.220 where: short stacking energy: -325.869 Base-Backbone interact. energy: 0.018 local terms energy: -413.956029 where: bonds (distance) C4'-P energy: -81.945 bonds (distance) P-C4' energy: -87.108 flat angles C4'-P-C4' energy: -91.757 flat angles P-C4'-P energy: -60.240 tors. eta vs tors. theta energy: -92.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -837.737500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.737500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.737500 (E_RNA) where: Base-Base interactions energy: -482.445 where: short stacking energy: -251.193 Base-Backbone interact. energy: -0.612 local terms energy: -354.680955 where: bonds (distance) C4'-P energy: -80.945 bonds (distance) P-C4' energy: -93.325 flat angles C4'-P-C4' energy: -85.857 flat angles P-C4'-P energy: -54.863 tors. eta vs tors. theta energy: -39.691 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: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -665.817581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.817581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.817581 (E_RNA) where: Base-Base interactions energy: -360.120 where: short stacking energy: -219.098 Base-Backbone interact. energy: 0.372 local terms energy: -306.069139 where: bonds (distance) C4'-P energy: -92.154 bonds (distance) P-C4' energy: -79.930 flat angles C4'-P-C4' energy: -65.792 flat angles P-C4'-P energy: -42.397 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: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -605.875051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.875051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.875051 (E_RNA) where: Base-Base interactions energy: -293.798 where: short stacking energy: -163.931 Base-Backbone interact. energy: 1.582 local terms energy: -313.659336 where: bonds (distance) C4'-P energy: -81.327 bonds (distance) P-C4' energy: -89.033 flat angles C4'-P-C4' energy: -78.821 flat angles P-C4'-P energy: -54.144 tors. eta vs tors. theta energy: -10.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -397.295987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.295987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.295987 (E_RNA) where: Base-Base interactions energy: -143.843 where: short stacking energy: -116.740 Base-Backbone interact. energy: 2.142 local terms energy: -255.595010 where: bonds (distance) C4'-P energy: -86.780 bonds (distance) P-C4' energy: -87.375 flat angles C4'-P-C4' energy: -55.060 flat angles P-C4'-P energy: -28.725 tors. eta vs tors. theta energy: 2.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -388.593688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.593688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.593688 (E_RNA) where: Base-Base interactions energy: -146.551 where: short stacking energy: -110.374 Base-Backbone interact. energy: -0.714 local terms energy: -241.328640 where: bonds (distance) C4'-P energy: -73.598 bonds (distance) P-C4' energy: -86.581 flat angles C4'-P-C4' energy: -51.858 flat angles P-C4'-P energy: -36.348 tors. eta vs tors. theta energy: 7.057 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: 8 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1528.160212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.160212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.160212 (E_RNA) where: Base-Base interactions energy: -1031.381 where: short stacking energy: -452.687 Base-Backbone interact. energy: -4.164 local terms energy: -492.614674 where: bonds (distance) C4'-P energy: -82.678 bonds (distance) P-C4' energy: -101.097 flat angles C4'-P-C4' energy: -106.865 flat angles P-C4'-P energy: -71.849 tors. eta vs tors. theta energy: -130.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1414.027009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.027009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.027009 (E_RNA) where: Base-Base interactions energy: -918.111 where: short stacking energy: -433.031 Base-Backbone interact. energy: -2.192 local terms energy: -493.724392 where: bonds (distance) C4'-P energy: -87.078 bonds (distance) P-C4' energy: -95.553 flat angles C4'-P-C4' energy: -98.905 flat angles P-C4'-P energy: -74.451 tors. eta vs tors. theta energy: -137.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1340.946536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.946536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.946536 (E_RNA) where: Base-Base interactions energy: -888.519 where: short stacking energy: -392.794 Base-Backbone interact. energy: -3.216 local terms energy: -449.211802 where: bonds (distance) C4'-P energy: -88.151 bonds (distance) P-C4' energy: -86.015 flat angles C4'-P-C4' energy: -96.236 flat angles P-C4'-P energy: -65.123 tors. eta vs tors. theta energy: -113.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1148.260512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.260512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.260512 (E_RNA) where: Base-Base interactions energy: -735.517 where: short stacking energy: -359.645 Base-Backbone interact. energy: 0.904 local terms energy: -413.648086 where: bonds (distance) C4'-P energy: -80.756 bonds (distance) P-C4' energy: -94.569 flat angles C4'-P-C4' energy: -87.823 flat angles P-C4'-P energy: -54.872 tors. eta vs tors. theta energy: -95.629 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: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1114.284591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.284591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.284591 (E_RNA) where: Base-Base interactions energy: -721.090 where: short stacking energy: -368.430 Base-Backbone interact. energy: -0.722 local terms energy: -392.472960 where: bonds (distance) C4'-P energy: -72.319 bonds (distance) P-C4' energy: -90.716 flat angles C4'-P-C4' energy: -86.347 flat angles P-C4'-P energy: -54.558 tors. eta vs tors. theta energy: -88.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -890.044336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.044336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.044336 (E_RNA) where: Base-Base interactions energy: -516.611 where: short stacking energy: -263.789 Base-Backbone interact. energy: 1.177 local terms energy: -374.609993 where: bonds (distance) C4'-P energy: -82.812 bonds (distance) P-C4' energy: -83.086 flat angles C4'-P-C4' energy: -85.014 flat angles P-C4'-P energy: -57.431 tors. eta vs tors. theta energy: -66.267 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: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -649.505968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.505968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.505968 (E_RNA) where: Base-Base interactions energy: -340.772 where: short stacking energy: -179.845 Base-Backbone interact. energy: -1.182 local terms energy: -307.552942 where: bonds (distance) C4'-P energy: -78.495 bonds (distance) P-C4' energy: -74.045 flat angles C4'-P-C4' energy: -80.884 flat angles P-C4'-P energy: -55.788 tors. eta vs tors. theta energy: -18.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -631.201513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.201513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.201513 (E_RNA) where: Base-Base interactions energy: -330.888 where: short stacking energy: -167.184 Base-Backbone interact. energy: -2.521 local terms energy: -297.792035 where: bonds (distance) C4'-P energy: -78.556 bonds (distance) P-C4' energy: -78.167 flat angles C4'-P-C4' energy: -74.477 flat angles P-C4'-P energy: -49.527 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: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -408.905223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.905223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.905223 (E_RNA) where: Base-Base interactions energy: -153.169 where: short stacking energy: -141.680 Base-Backbone interact. energy: 0.614 local terms energy: -256.350039 where: bonds (distance) C4'-P energy: -64.365 bonds (distance) P-C4' energy: -86.444 flat angles C4'-P-C4' energy: -69.660 flat angles P-C4'-P energy: -33.519 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -406.071321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.071321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.071321 (E_RNA) where: Base-Base interactions energy: -161.107 where: short stacking energy: -109.138 Base-Backbone interact. energy: 0.987 local terms energy: -245.951307 where: bonds (distance) C4'-P energy: -73.520 bonds (distance) P-C4' energy: -84.814 flat angles C4'-P-C4' energy: -68.151 flat angles P-C4'-P energy: -38.155 tors. eta vs tors. theta energy: 18.689 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: 1, replica: 8 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1510.919980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.919980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.919980 (E_RNA) where: Base-Base interactions energy: -1024.989 where: short stacking energy: -448.362 Base-Backbone interact. energy: -3.503 local terms energy: -482.427996 where: bonds (distance) C4'-P energy: -98.680 bonds (distance) P-C4' energy: -81.949 flat angles C4'-P-C4' energy: -115.548 flat angles P-C4'-P energy: -69.303 tors. eta vs tors. theta energy: -116.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1403.780135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.780135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.780135 (E_RNA) where: Base-Base interactions energy: -930.341 where: short stacking energy: -423.371 Base-Backbone interact. energy: -3.435 local terms energy: -470.003693 where: bonds (distance) C4'-P energy: -87.737 bonds (distance) P-C4' energy: -95.898 flat angles C4'-P-C4' energy: -102.044 flat angles P-C4'-P energy: -64.703 tors. eta vs tors. theta energy: -119.621 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: 6 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1358.650368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.650368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.650368 (E_RNA) where: Base-Base interactions energy: -909.806 where: short stacking energy: -391.511 Base-Backbone interact. energy: -5.314 local terms energy: -443.530112 where: bonds (distance) C4'-P energy: -87.692 bonds (distance) P-C4' energy: -84.962 flat angles C4'-P-C4' energy: -104.950 flat angles P-C4'-P energy: -62.557 tors. eta vs tors. theta energy: -103.368 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: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1135.278242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.278242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.278242 (E_RNA) where: Base-Base interactions energy: -749.148 where: short stacking energy: -361.765 Base-Backbone interact. energy: 5.094 local terms energy: -391.224014 where: bonds (distance) C4'-P energy: -84.060 bonds (distance) P-C4' energy: -87.293 flat angles C4'-P-C4' energy: -74.582 flat angles P-C4'-P energy: -48.365 tors. eta vs tors. theta energy: -96.923 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: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1115.603964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.603964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.603964 (E_RNA) where: Base-Base interactions energy: -680.343 where: short stacking energy: -321.071 Base-Backbone interact. energy: -1.875 local terms energy: -433.385410 where: bonds (distance) C4'-P energy: -89.568 bonds (distance) P-C4' energy: -96.040 flat angles C4'-P-C4' energy: -97.111 flat angles P-C4'-P energy: -56.112 tors. eta vs tors. theta energy: -94.554 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: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -897.227481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.227481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.227481 (E_RNA) where: Base-Base interactions energy: -514.452 where: short stacking energy: -259.532 Base-Backbone interact. energy: -2.007 local terms energy: -380.768316 where: bonds (distance) C4'-P energy: -87.324 bonds (distance) P-C4' energy: -93.737 flat angles C4'-P-C4' energy: -90.916 flat angles P-C4'-P energy: -49.770 tors. eta vs tors. theta energy: -59.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -720.034430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.034430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.034430 (E_RNA) where: Base-Base interactions energy: -357.825 where: short stacking energy: -206.276 Base-Backbone interact. energy: -1.959 local terms energy: -360.250412 where: bonds (distance) C4'-P energy: -92.112 bonds (distance) P-C4' energy: -79.304 flat angles C4'-P-C4' energy: -84.060 flat angles P-C4'-P energy: -66.198 tors. eta vs tors. theta energy: -38.576 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: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -666.856487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.856487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.856487 (E_RNA) where: Base-Base interactions energy: -357.120 where: short stacking energy: -195.817 Base-Backbone interact. energy: 3.543 local terms energy: -313.279489 where: bonds (distance) C4'-P energy: -82.279 bonds (distance) P-C4' energy: -75.348 flat angles C4'-P-C4' energy: -84.127 flat angles P-C4'-P energy: -50.360 tors. eta vs tors. theta energy: -21.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -384.907730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.907730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.907730 (E_RNA) where: Base-Base interactions energy: -120.957 where: short stacking energy: -97.458 Base-Backbone interact. energy: 6.102 local terms energy: -270.052895 where: bonds (distance) C4'-P energy: -92.361 bonds (distance) P-C4' energy: -69.977 flat angles C4'-P-C4' energy: -78.243 flat angles P-C4'-P energy: -45.846 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: 10, replica: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -390.469531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.469531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.469531 (E_RNA) where: Base-Base interactions energy: -129.409 where: short stacking energy: -103.370 Base-Backbone interact. energy: 0.889 local terms energy: -261.948693 where: bonds (distance) C4'-P energy: -78.518 bonds (distance) P-C4' energy: -85.720 flat angles C4'-P-C4' energy: -61.560 flat angles P-C4'-P energy: -42.272 tors. eta vs tors. theta energy: 6.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1521.504531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.504531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.504531 (E_RNA) where: Base-Base interactions energy: -1016.097 where: short stacking energy: -409.498 Base-Backbone interact. energy: -1.862 local terms energy: -503.545882 where: bonds (distance) C4'-P energy: -94.547 bonds (distance) P-C4' energy: -97.999 flat angles C4'-P-C4' energy: -115.283 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: -127.590 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: 4 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1426.163383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.163383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.163383 (E_RNA) where: Base-Base interactions energy: -935.380 where: short stacking energy: -427.804 Base-Backbone interact. energy: -0.836 local terms energy: -489.947430 where: bonds (distance) C4'-P energy: -84.739 bonds (distance) P-C4' energy: -101.141 flat angles C4'-P-C4' energy: -107.551 flat angles P-C4'-P energy: -69.026 tors. eta vs tors. theta energy: -127.491 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: 3, replica: 6 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1356.077273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.077273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.077273 (E_RNA) where: Base-Base interactions energy: -901.447 where: short stacking energy: -396.843 Base-Backbone interact. energy: -2.516 local terms energy: -452.114016 where: bonds (distance) C4'-P energy: -89.521 bonds (distance) P-C4' energy: -94.338 flat angles C4'-P-C4' energy: -90.806 flat angles P-C4'-P energy: -57.024 tors. eta vs tors. theta energy: -120.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1171.117406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.117406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.117406 (E_RNA) where: Base-Base interactions energy: -750.808 where: short stacking energy: -362.606 Base-Backbone interact. energy: -0.595 local terms energy: -419.714459 where: bonds (distance) C4'-P energy: -70.874 bonds (distance) P-C4' energy: -84.656 flat angles C4'-P-C4' energy: -102.880 flat angles P-C4'-P energy: -63.215 tors. eta vs tors. theta energy: -98.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1064.056134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.056134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.056134 (E_RNA) where: Base-Base interactions energy: -674.395 where: short stacking energy: -298.350 Base-Backbone interact. energy: -1.632 local terms energy: -388.029064 where: bonds (distance) C4'-P energy: -70.665 bonds (distance) P-C4' energy: -96.515 flat angles C4'-P-C4' energy: -92.785 flat angles P-C4'-P energy: -56.169 tors. eta vs tors. theta energy: -71.896 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: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -874.128024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.128024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.128024 (E_RNA) where: Base-Base interactions energy: -524.961 where: short stacking energy: -265.760 Base-Backbone interact. energy: -2.020 local terms energy: -347.146331 where: bonds (distance) C4'-P energy: -79.803 bonds (distance) P-C4' energy: -102.186 flat angles C4'-P-C4' energy: -77.343 flat angles P-C4'-P energy: -39.047 tors. eta vs tors. theta energy: -48.768 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: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -671.788048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.788048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.788048 (E_RNA) where: Base-Base interactions energy: -340.350 where: short stacking energy: -201.685 Base-Backbone interact. energy: -0.399 local terms energy: -331.038953 where: bonds (distance) C4'-P energy: -84.433 bonds (distance) P-C4' energy: -91.311 flat angles C4'-P-C4' energy: -81.427 flat angles P-C4'-P energy: -55.306 tors. eta vs tors. theta energy: -18.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -639.496643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.496643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.496643 (E_RNA) where: Base-Base interactions energy: -347.128 where: short stacking energy: -208.004 Base-Backbone interact. energy: -1.815 local terms energy: -290.553712 where: bonds (distance) C4'-P energy: -70.783 bonds (distance) P-C4' energy: -79.791 flat angles C4'-P-C4' energy: -73.284 flat angles P-C4'-P energy: -53.848 tors. eta vs tors. theta energy: -12.848 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: 9, replica: 5 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -402.620836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.620836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.620836 (E_RNA) where: Base-Base interactions energy: -99.822 where: short stacking energy: -84.781 Base-Backbone interact. energy: -1.334 local terms energy: -301.464311 where: bonds (distance) C4'-P energy: -90.375 bonds (distance) P-C4' energy: -83.057 flat angles C4'-P-C4' energy: -83.646 flat angles P-C4'-P energy: -49.597 tors. eta vs tors. theta energy: 5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -372.114658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.114658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.114658 (E_RNA) where: Base-Base interactions energy: -151.129 where: short stacking energy: -118.918 Base-Backbone interact. energy: 2.911 local terms energy: -223.896709 where: bonds (distance) C4'-P energy: -78.391 bonds (distance) P-C4' energy: -81.017 flat angles C4'-P-C4' energy: -62.060 flat angles P-C4'-P energy: -24.691 tors. eta vs tors. theta energy: 22.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1503.008426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.008426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.008426 (E_RNA) where: Base-Base interactions energy: -1008.974 where: short stacking energy: -415.672 Base-Backbone interact. energy: -0.126 local terms energy: -493.908607 where: bonds (distance) C4'-P energy: -97.497 bonds (distance) P-C4' energy: -101.024 flat angles C4'-P-C4' energy: -98.047 flat angles P-C4'-P energy: -72.137 tors. eta vs tors. theta energy: -125.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1442.474347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.474347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.474347 (E_RNA) where: Base-Base interactions energy: -941.000 where: short stacking energy: -426.991 Base-Backbone interact. energy: -1.384 local terms energy: -500.090489 where: bonds (distance) C4'-P energy: -93.289 bonds (distance) P-C4' energy: -103.688 flat angles C4'-P-C4' energy: -106.992 flat angles P-C4'-P energy: -69.340 tors. eta vs tors. theta energy: -126.780 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: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1352.437454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.437454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.437454 (E_RNA) where: Base-Base interactions energy: -917.368 where: short stacking energy: -402.091 Base-Backbone interact. energy: -2.262 local terms energy: -432.806912 where: bonds (distance) C4'-P energy: -80.004 bonds (distance) P-C4' energy: -102.196 flat angles C4'-P-C4' energy: -95.642 flat angles P-C4'-P energy: -47.850 tors. eta vs tors. theta energy: -107.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1115.473824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.473824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.473824 (E_RNA) where: Base-Base interactions energy: -679.755 where: short stacking energy: -316.507 Base-Backbone interact. energy: -2.551 local terms energy: -433.168061 where: bonds (distance) C4'-P energy: -90.845 bonds (distance) P-C4' energy: -99.748 flat angles C4'-P-C4' energy: -93.499 flat angles P-C4'-P energy: -61.816 tors. eta vs tors. theta energy: -87.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1099.255229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.255229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.255229 (E_RNA) where: Base-Base interactions energy: -687.172 where: short stacking energy: -321.792 Base-Backbone interact. energy: 0.047 local terms energy: -412.130590 where: bonds (distance) C4'-P energy: -96.719 bonds (distance) P-C4' energy: -88.942 flat angles C4'-P-C4' energy: -93.128 flat angles P-C4'-P energy: -54.942 tors. eta vs tors. theta energy: -78.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -852.412447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.412447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.412447 (E_RNA) where: Base-Base interactions energy: -482.265 where: short stacking energy: -233.909 Base-Backbone interact. energy: -4.533 local terms energy: -365.614009 where: bonds (distance) C4'-P energy: -82.229 bonds (distance) P-C4' energy: -93.757 flat angles C4'-P-C4' energy: -88.444 flat angles P-C4'-P energy: -47.754 tors. eta vs tors. theta energy: -53.429 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: 7, replica: 7 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -684.815371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.815371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.815371 (E_RNA) where: Base-Base interactions energy: -355.665 where: short stacking energy: -195.208 Base-Backbone interact. energy: 1.335 local terms energy: -330.486166 where: bonds (distance) C4'-P energy: -81.567 bonds (distance) P-C4' energy: -91.491 flat angles C4'-P-C4' energy: -83.611 flat angles P-C4'-P energy: -53.139 tors. eta vs tors. theta energy: -20.677 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: 9 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -658.110264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.110264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.110264 (E_RNA) where: Base-Base interactions energy: -363.404 where: short stacking energy: -218.737 Base-Backbone interact. energy: -2.406 local terms energy: -292.300512 where: bonds (distance) C4'-P energy: -67.733 bonds (distance) P-C4' energy: -72.173 flat angles C4'-P-C4' energy: -79.637 flat angles P-C4'-P energy: -44.010 tors. eta vs tors. theta energy: -28.748 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: 1 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -443.265984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.265984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.265984 (E_RNA) where: Base-Base interactions energy: -158.371 where: short stacking energy: -116.369 Base-Backbone interact. energy: -0.318 local terms energy: -284.576287 where: bonds (distance) C4'-P energy: -90.729 bonds (distance) P-C4' energy: -84.492 flat angles C4'-P-C4' energy: -72.867 flat angles P-C4'-P energy: -42.450 tors. eta vs tors. theta energy: 5.962 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: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -361.997146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.997146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.997146 (E_RNA) where: Base-Base interactions energy: -110.534 where: short stacking energy: -82.915 Base-Backbone interact. energy: -0.372 local terms energy: -251.091345 where: bonds (distance) C4'-P energy: -78.873 bonds (distance) P-C4' energy: -89.554 flat angles C4'-P-C4' energy: -65.739 flat angles P-C4'-P energy: -43.405 tors. eta vs tors. theta energy: 26.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1514.062849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.062849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.062849 (E_RNA) where: Base-Base interactions energy: -1021.995 where: short stacking energy: -451.830 Base-Backbone interact. energy: -0.894 local terms energy: -491.174270 where: bonds (distance) C4'-P energy: -100.234 bonds (distance) P-C4' energy: -93.077 flat angles C4'-P-C4' energy: -100.941 flat angles P-C4'-P energy: -69.742 tors. eta vs tors. theta energy: -127.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1432.011977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.011977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.011977 (E_RNA) where: Base-Base interactions energy: -962.829 where: short stacking energy: -454.194 Base-Backbone interact. energy: 0.528 local terms energy: -469.711727 where: bonds (distance) C4'-P energy: -87.318 bonds (distance) P-C4' energy: -88.953 flat angles C4'-P-C4' energy: -101.488 flat angles P-C4'-P energy: -64.131 tors. eta vs tors. theta energy: -127.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1333.095501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.095501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.095501 (E_RNA) where: Base-Base interactions energy: -878.244 where: short stacking energy: -394.527 Base-Backbone interact. energy: -3.803 local terms energy: -451.048260 where: bonds (distance) C4'-P energy: -83.442 bonds (distance) P-C4' energy: -89.665 flat angles C4'-P-C4' energy: -98.559 flat angles P-C4'-P energy: -65.677 tors. eta vs tors. theta energy: -113.705 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: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1104.735276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.735276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.735276 (E_RNA) where: Base-Base interactions energy: -692.503 where: short stacking energy: -323.117 Base-Backbone interact. energy: -0.295 local terms energy: -411.937201 where: bonds (distance) C4'-P energy: -86.745 bonds (distance) P-C4' energy: -89.810 flat angles C4'-P-C4' energy: -98.538 flat angles P-C4'-P energy: -62.263 tors. eta vs tors. theta energy: -74.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1053.304867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.304867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.304867 (E_RNA) where: Base-Base interactions energy: -640.297 where: short stacking energy: -309.752 Base-Backbone interact. energy: -1.851 local terms energy: -411.156819 where: bonds (distance) C4'-P energy: -83.159 bonds (distance) P-C4' energy: -98.904 flat angles C4'-P-C4' energy: -100.134 flat angles P-C4'-P energy: -62.201 tors. eta vs tors. theta energy: -66.759 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: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -834.202536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.202536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.202536 (E_RNA) where: Base-Base interactions energy: -464.363 where: short stacking energy: -256.852 Base-Backbone interact. energy: 1.924 local terms energy: -371.763238 where: bonds (distance) C4'-P energy: -81.370 bonds (distance) P-C4' energy: -73.723 flat angles C4'-P-C4' energy: -101.398 flat angles P-C4'-P energy: -68.575 tors. eta vs tors. theta energy: -46.697 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: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -672.464858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.464858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.464858 (E_RNA) where: Base-Base interactions energy: -355.567 where: short stacking energy: -204.738 Base-Backbone interact. energy: -1.758 local terms energy: -315.140175 where: bonds (distance) C4'-P energy: -84.713 bonds (distance) P-C4' energy: -90.107 flat angles C4'-P-C4' energy: -67.177 flat angles P-C4'-P energy: -44.155 tors. eta vs tors. theta energy: -28.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -696.703474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.703474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.703474 (E_RNA) where: Base-Base interactions energy: -360.939 where: short stacking energy: -190.108 Base-Backbone interact. energy: 1.771 local terms energy: -337.535456 where: bonds (distance) C4'-P energy: -104.355 bonds (distance) P-C4' energy: -83.550 flat angles C4'-P-C4' energy: -70.003 flat angles P-C4'-P energy: -56.289 tors. eta vs tors. theta energy: -23.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -399.928057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.928057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.928057 (E_RNA) where: Base-Base interactions energy: -122.000 where: short stacking energy: -116.363 Base-Backbone interact. energy: 1.828 local terms energy: -279.756142 where: bonds (distance) C4'-P energy: -76.720 bonds (distance) P-C4' energy: -85.758 flat angles C4'-P-C4' energy: -81.302 flat angles P-C4'-P energy: -36.114 tors. eta vs tors. theta energy: 0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -376.384839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.384839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.384839 (E_RNA) where: Base-Base interactions energy: -117.664 where: short stacking energy: -109.703 Base-Backbone interact. energy: 0.587 local terms energy: -259.307607 where: bonds (distance) C4'-P energy: -80.676 bonds (distance) P-C4' energy: -80.514 flat angles C4'-P-C4' energy: -58.438 flat angles P-C4'-P energy: -42.037 tors. eta vs tors. theta energy: 2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1528.565992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.565992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.565992 (E_RNA) where: Base-Base interactions energy: -1041.873 where: short stacking energy: -459.305 Base-Backbone interact. energy: -2.992 local terms energy: -483.700995 where: bonds (distance) C4'-P energy: -105.073 bonds (distance) P-C4' energy: -78.829 flat angles C4'-P-C4' energy: -106.522 flat angles P-C4'-P energy: -68.570 tors. eta vs tors. theta energy: -124.707 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: 4 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1414.209191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.209191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.209191 (E_RNA) where: Base-Base interactions energy: -957.907 where: short stacking energy: -440.141 Base-Backbone interact. energy: -2.355 local terms energy: -453.947158 where: bonds (distance) C4'-P energy: -95.522 bonds (distance) P-C4' energy: -92.811 flat angles C4'-P-C4' energy: -95.977 flat angles P-C4'-P energy: -46.987 tors. eta vs tors. theta energy: -122.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1354.973860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.973860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.973860 (E_RNA) where: Base-Base interactions energy: -899.556 where: short stacking energy: -423.635 Base-Backbone interact. energy: -3.975 local terms energy: -451.442741 where: bonds (distance) C4'-P energy: -82.807 bonds (distance) P-C4' energy: -97.271 flat angles C4'-P-C4' energy: -96.738 flat angles P-C4'-P energy: -68.514 tors. eta vs tors. theta energy: -106.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1141.277221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.277221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.277221 (E_RNA) where: Base-Base interactions energy: -695.696 where: short stacking energy: -333.438 Base-Backbone interact. energy: -0.761 local terms energy: -444.819857 where: bonds (distance) C4'-P energy: -94.237 bonds (distance) P-C4' energy: -92.860 flat angles C4'-P-C4' energy: -103.024 flat angles P-C4'-P energy: -60.834 tors. eta vs tors. theta energy: -93.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1062.692944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.692944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.692944 (E_RNA) where: Base-Base interactions energy: -680.901 where: short stacking energy: -315.406 Base-Backbone interact. energy: -3.546 local terms energy: -378.246755 where: bonds (distance) C4'-P energy: -82.080 bonds (distance) P-C4' energy: -81.166 flat angles C4'-P-C4' energy: -83.998 flat angles P-C4'-P energy: -45.718 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: 6, replica: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -879.440752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.440752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.440752 (E_RNA) where: Base-Base interactions energy: -525.136 where: short stacking energy: -253.791 Base-Backbone interact. energy: -1.733 local terms energy: -352.571907 where: bonds (distance) C4'-P energy: -72.538 bonds (distance) P-C4' energy: -84.636 flat angles C4'-P-C4' energy: -92.335 flat angles P-C4'-P energy: -50.240 tors. eta vs tors. theta energy: -52.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -728.208753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.208753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.208753 (E_RNA) where: Base-Base interactions energy: -417.661 where: short stacking energy: -190.218 Base-Backbone interact. energy: 0.742 local terms energy: -311.289812 where: bonds (distance) C4'-P energy: -71.254 bonds (distance) P-C4' energy: -79.762 flat angles C4'-P-C4' energy: -85.081 flat angles P-C4'-P energy: -42.989 tors. eta vs tors. theta energy: -32.204 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: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -617.154713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.154713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.154713 (E_RNA) where: Base-Base interactions energy: -320.326 where: short stacking energy: -182.503 Base-Backbone interact. energy: 2.147 local terms energy: -298.975310 where: bonds (distance) C4'-P energy: -80.580 bonds (distance) P-C4' energy: -91.019 flat angles C4'-P-C4' energy: -86.509 flat angles P-C4'-P energy: -34.729 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -435.505969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.505969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.505969 (E_RNA) where: Base-Base interactions energy: -157.168 where: short stacking energy: -129.703 Base-Backbone interact. energy: 6.108 local terms energy: -284.446122 where: bonds (distance) C4'-P energy: -83.061 bonds (distance) P-C4' energy: -78.708 flat angles C4'-P-C4' energy: -78.943 flat angles P-C4'-P energy: -42.384 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -383.681352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.681352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.681352 (E_RNA) where: Base-Base interactions energy: -124.015 where: short stacking energy: -106.669 Base-Backbone interact. energy: 2.353 local terms energy: -262.019933 where: bonds (distance) C4'-P energy: -81.688 bonds (distance) P-C4' energy: -73.276 flat angles C4'-P-C4' energy: -70.034 flat angles P-C4'-P energy: -43.960 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: 1, replica: 8 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1516.568026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.568026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.568026 (E_RNA) where: Base-Base interactions energy: -1015.426 where: short stacking energy: -433.494 Base-Backbone interact. energy: -0.232 local terms energy: -500.909321 where: bonds (distance) C4'-P energy: -103.999 bonds (distance) P-C4' energy: -97.873 flat angles C4'-P-C4' energy: -106.207 flat angles P-C4'-P energy: -67.300 tors. eta vs tors. theta energy: -125.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1399.622294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.622294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.622294 (E_RNA) where: Base-Base interactions energy: -922.340 where: short stacking energy: -420.843 Base-Backbone interact. energy: -3.243 local terms energy: -474.039041 where: bonds (distance) C4'-P energy: -89.908 bonds (distance) P-C4' energy: -97.847 flat angles C4'-P-C4' energy: -98.225 flat angles P-C4'-P energy: -66.260 tors. eta vs tors. theta energy: -121.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1387.754380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.754380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.754380 (E_RNA) where: Base-Base interactions energy: -918.162 where: short stacking energy: -403.393 Base-Backbone interact. energy: -2.366 local terms energy: -467.226092 where: bonds (distance) C4'-P energy: -90.817 bonds (distance) P-C4' energy: -90.383 flat angles C4'-P-C4' energy: -101.662 flat angles P-C4'-P energy: -67.576 tors. eta vs tors. theta energy: -116.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1191.686217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.686217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.686217 (E_RNA) where: Base-Base interactions energy: -750.760 where: short stacking energy: -378.300 Base-Backbone interact. energy: -1.011 local terms energy: -439.915064 where: bonds (distance) C4'-P energy: -87.262 bonds (distance) P-C4' energy: -89.931 flat angles C4'-P-C4' energy: -102.172 flat angles P-C4'-P energy: -54.489 tors. eta vs tors. theta energy: -106.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1068.281344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.281344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.281344 (E_RNA) where: Base-Base interactions energy: -672.016 where: short stacking energy: -301.057 Base-Backbone interact. energy: -0.924 local terms energy: -395.341231 where: bonds (distance) C4'-P energy: -88.526 bonds (distance) P-C4' energy: -91.460 flat angles C4'-P-C4' energy: -88.673 flat angles P-C4'-P energy: -57.800 tors. eta vs tors. theta energy: -68.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -849.178123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.178123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.178123 (E_RNA) where: Base-Base interactions energy: -475.766 where: short stacking energy: -250.021 Base-Backbone interact. energy: -1.339 local terms energy: -372.073541 where: bonds (distance) C4'-P energy: -89.862 bonds (distance) P-C4' energy: -81.446 flat angles C4'-P-C4' energy: -96.226 flat angles P-C4'-P energy: -58.231 tors. eta vs tors. theta energy: -46.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -738.456616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.456616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.456616 (E_RNA) where: Base-Base interactions energy: -405.591 where: short stacking energy: -198.509 Base-Backbone interact. energy: -2.655 local terms energy: -330.210967 where: bonds (distance) C4'-P energy: -79.218 bonds (distance) P-C4' energy: -82.483 flat angles C4'-P-C4' energy: -77.175 flat angles P-C4'-P energy: -65.394 tors. eta vs tors. theta energy: -25.941 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: 7 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -634.016818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.016818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.016818 (E_RNA) where: Base-Base interactions energy: -320.789 where: short stacking energy: -180.220 Base-Backbone interact. energy: -0.192 local terms energy: -313.036418 where: bonds (distance) C4'-P energy: -82.468 bonds (distance) P-C4' energy: -87.339 flat angles C4'-P-C4' energy: -72.502 flat angles P-C4'-P energy: -53.546 tors. eta vs tors. theta energy: -17.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -429.419662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.419662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.419662 (E_RNA) where: Base-Base interactions energy: -170.021 where: short stacking energy: -125.471 Base-Backbone interact. energy: 0.920 local terms energy: -260.318850 where: bonds (distance) C4'-P energy: -82.130 bonds (distance) P-C4' energy: -79.665 flat angles C4'-P-C4' energy: -67.568 flat angles P-C4'-P energy: -30.819 tors. eta vs tors. theta energy: -0.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -365.170713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.170713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.170713 (E_RNA) where: Base-Base interactions energy: -121.634 where: short stacking energy: -116.066 Base-Backbone interact. energy: 1.147 local terms energy: -244.683752 where: bonds (distance) C4'-P energy: -78.473 bonds (distance) P-C4' energy: -80.209 flat angles C4'-P-C4' energy: -66.980 flat angles P-C4'-P energy: -28.090 tors. eta vs tors. theta energy: 9.067 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: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1514.171448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.171448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.171448 (E_RNA) where: Base-Base interactions energy: -1019.886 where: short stacking energy: -443.678 Base-Backbone interact. energy: 0.759 local terms energy: -495.044401 where: bonds (distance) C4'-P energy: -91.565 bonds (distance) P-C4' energy: -97.682 flat angles C4'-P-C4' energy: -112.942 flat angles P-C4'-P energy: -71.010 tors. eta vs tors. theta energy: -121.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1385.641788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.641788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.641788 (E_RNA) where: Base-Base interactions energy: -922.347 where: short stacking energy: -429.702 Base-Backbone interact. energy: -4.056 local terms energy: -459.239248 where: bonds (distance) C4'-P energy: -77.514 bonds (distance) P-C4' energy: -89.436 flat angles C4'-P-C4' energy: -99.129 flat angles P-C4'-P energy: -71.129 tors. eta vs tors. theta energy: -122.031 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: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1339.890339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.890339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.890339 (E_RNA) where: Base-Base interactions energy: -871.960 where: short stacking energy: -379.478 Base-Backbone interact. energy: -3.858 local terms energy: -464.073224 where: bonds (distance) C4'-P energy: -94.022 bonds (distance) P-C4' energy: -97.208 flat angles C4'-P-C4' energy: -95.727 flat angles P-C4'-P energy: -67.653 tors. eta vs tors. theta energy: -109.462 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: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1147.467110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.467110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.467110 (E_RNA) where: Base-Base interactions energy: -729.672 where: short stacking energy: -328.441 Base-Backbone interact. energy: 0.240 local terms energy: -418.034642 where: bonds (distance) C4'-P energy: -89.817 bonds (distance) P-C4' energy: -93.760 flat angles C4'-P-C4' energy: -95.336 flat angles P-C4'-P energy: -57.619 tors. eta vs tors. theta energy: -81.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1097.289727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.289727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.289727 (E_RNA) where: Base-Base interactions energy: -701.818 where: short stacking energy: -341.079 Base-Backbone interact. energy: 1.806 local terms energy: -397.278267 where: bonds (distance) C4'-P energy: -91.436 bonds (distance) P-C4' energy: -84.952 flat angles C4'-P-C4' energy: -87.527 flat angles P-C4'-P energy: -47.821 tors. eta vs tors. theta energy: -85.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -858.766813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.766813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.766813 (E_RNA) where: Base-Base interactions energy: -501.278 where: short stacking energy: -259.901 Base-Backbone interact. energy: 1.820 local terms energy: -359.308946 where: bonds (distance) C4'-P energy: -77.434 bonds (distance) P-C4' energy: -87.235 flat angles C4'-P-C4' energy: -90.357 flat angles P-C4'-P energy: -53.682 tors. eta vs tors. theta energy: -50.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -710.007818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.007818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.007818 (E_RNA) where: Base-Base interactions energy: -377.546 where: short stacking energy: -183.470 Base-Backbone interact. energy: -2.322 local terms energy: -330.139677 where: bonds (distance) C4'-P energy: -83.411 bonds (distance) P-C4' energy: -94.025 flat angles C4'-P-C4' energy: -81.475 flat angles P-C4'-P energy: -47.486 tors. eta vs tors. theta energy: -23.743 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: 7 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -663.957560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.957560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.957560 (E_RNA) where: Base-Base interactions energy: -351.968 where: short stacking energy: -202.046 Base-Backbone interact. energy: -1.422 local terms energy: -310.567509 where: bonds (distance) C4'-P energy: -76.715 bonds (distance) P-C4' energy: -91.771 flat angles C4'-P-C4' energy: -66.085 flat angles P-C4'-P energy: -43.713 tors. eta vs tors. theta energy: -32.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -415.853209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.853209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.853209 (E_RNA) where: Base-Base interactions energy: -137.227 where: short stacking energy: -120.586 Base-Backbone interact. energy: -0.459 local terms energy: -278.166481 where: bonds (distance) C4'-P energy: -78.683 bonds (distance) P-C4' energy: -91.541 flat angles C4'-P-C4' energy: -78.583 flat angles P-C4'-P energy: -38.819 tors. eta vs tors. theta energy: 9.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -384.538179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.538179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.538179 (E_RNA) where: Base-Base interactions energy: -151.240 where: short stacking energy: -112.264 Base-Backbone interact. energy: -0.015 local terms energy: -233.283706 where: bonds (distance) C4'-P energy: -51.372 bonds (distance) P-C4' energy: -97.336 flat angles C4'-P-C4' energy: -74.618 flat angles P-C4'-P energy: -31.029 tors. eta vs tors. theta energy: 21.071 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: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1516.319334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.319334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.319334 (E_RNA) where: Base-Base interactions energy: -1014.886 where: short stacking energy: -435.894 Base-Backbone interact. energy: -1.871 local terms energy: -499.562225 where: bonds (distance) C4'-P energy: -99.931 bonds (distance) P-C4' energy: -90.124 flat angles C4'-P-C4' energy: -101.904 flat angles P-C4'-P energy: -76.295 tors. eta vs tors. theta energy: -131.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1404.741110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.741110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.741110 (E_RNA) where: Base-Base interactions energy: -917.768 where: short stacking energy: -411.574 Base-Backbone interact. energy: -2.246 local terms energy: -484.727206 where: bonds (distance) C4'-P energy: -94.853 bonds (distance) P-C4' energy: -88.851 flat angles C4'-P-C4' energy: -105.978 flat angles P-C4'-P energy: -80.202 tors. eta vs tors. theta energy: -114.843 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: 4 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1341.680834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.680834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.680834 (E_RNA) where: Base-Base interactions energy: -888.636 where: short stacking energy: -405.481 Base-Backbone interact. energy: 1.747 local terms energy: -454.792426 where: bonds (distance) C4'-P energy: -79.084 bonds (distance) P-C4' energy: -91.156 flat angles C4'-P-C4' energy: -98.392 flat angles P-C4'-P energy: -71.263 tors. eta vs tors. theta energy: -114.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1164.331347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.331347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.331347 (E_RNA) where: Base-Base interactions energy: -727.665 where: short stacking energy: -344.797 Base-Backbone interact. energy: -1.776 local terms energy: -434.890054 where: bonds (distance) C4'-P energy: -81.375 bonds (distance) P-C4' energy: -87.590 flat angles C4'-P-C4' energy: -105.666 flat angles P-C4'-P energy: -61.601 tors. eta vs tors. theta energy: -98.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1078.360609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.360609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.360609 (E_RNA) where: Base-Base interactions energy: -702.603 where: short stacking energy: -320.103 Base-Backbone interact. energy: -3.525 local terms energy: -372.232103 where: bonds (distance) C4'-P energy: -73.395 bonds (distance) P-C4' energy: -78.578 flat angles C4'-P-C4' energy: -87.994 flat angles P-C4'-P energy: -52.595 tors. eta vs tors. theta energy: -79.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -846.498207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.498207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.498207 (E_RNA) where: Base-Base interactions energy: -481.889 where: short stacking energy: -256.869 Base-Backbone interact. energy: 1.741 local terms energy: -366.350118 where: bonds (distance) C4'-P energy: -93.160 bonds (distance) P-C4' energy: -93.050 flat angles C4'-P-C4' energy: -81.851 flat angles P-C4'-P energy: -52.976 tors. eta vs tors. theta energy: -45.313 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: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -659.120609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.120609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.120609 (E_RNA) where: Base-Base interactions energy: -351.956 where: short stacking energy: -188.678 Base-Backbone interact. energy: -1.863 local terms energy: -305.302067 where: bonds (distance) C4'-P energy: -85.225 bonds (distance) P-C4' energy: -97.000 flat angles C4'-P-C4' energy: -67.779 flat angles P-C4'-P energy: -38.160 tors. eta vs tors. theta energy: -17.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -661.832338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.832338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.832338 (E_RNA) where: Base-Base interactions energy: -361.615 where: short stacking energy: -192.302 Base-Backbone interact. energy: -1.105 local terms energy: -299.111573 where: bonds (distance) C4'-P energy: -72.754 bonds (distance) P-C4' energy: -78.917 flat angles C4'-P-C4' energy: -74.543 flat angles P-C4'-P energy: -50.729 tors. eta vs tors. theta energy: -22.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -421.388338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.388338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.388338 (E_RNA) where: Base-Base interactions energy: -132.697 where: short stacking energy: -117.078 Base-Backbone interact. energy: -0.208 local terms energy: -288.483555 where: bonds (distance) C4'-P energy: -87.045 bonds (distance) P-C4' energy: -80.408 flat angles C4'-P-C4' energy: -73.049 flat angles P-C4'-P energy: -47.605 tors. eta vs tors. theta energy: -0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -385.374289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.374289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.374289 (E_RNA) where: Base-Base interactions energy: -136.215 where: short stacking energy: -97.173 Base-Backbone interact. energy: 4.181 local terms energy: -253.340375 where: bonds (distance) C4'-P energy: -83.294 bonds (distance) P-C4' energy: -91.692 flat angles C4'-P-C4' energy: -64.717 flat angles P-C4'-P energy: -35.684 tors. eta vs tors. theta energy: 22.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1505.046775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.046775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.046775 (E_RNA) where: Base-Base interactions energy: -1006.533 where: short stacking energy: -422.983 Base-Backbone interact. energy: 0.186 local terms energy: -498.700311 where: bonds (distance) C4'-P energy: -96.943 bonds (distance) P-C4' energy: -101.211 flat angles C4'-P-C4' energy: -112.047 flat angles P-C4'-P energy: -61.496 tors. eta vs tors. theta energy: -127.004 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: 6 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1411.691912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.691912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.691912 (E_RNA) where: Base-Base interactions energy: -944.772 where: short stacking energy: -406.733 Base-Backbone interact. energy: 2.350 local terms energy: -469.270102 where: bonds (distance) C4'-P energy: -99.224 bonds (distance) P-C4' energy: -98.196 flat angles C4'-P-C4' energy: -97.541 flat angles P-C4'-P energy: -54.116 tors. eta vs tors. theta energy: -120.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1355.467422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.467422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.467422 (E_RNA) where: Base-Base interactions energy: -881.548 where: short stacking energy: -428.375 Base-Backbone interact. energy: -2.161 local terms energy: -471.758197 where: bonds (distance) C4'-P energy: -96.180 bonds (distance) P-C4' energy: -81.986 flat angles C4'-P-C4' energy: -101.795 flat angles P-C4'-P energy: -68.133 tors. eta vs tors. theta energy: -123.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1137.745954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.745954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.745954 (E_RNA) where: Base-Base interactions energy: -697.568 where: short stacking energy: -321.332 Base-Backbone interact. energy: -2.042 local terms energy: -438.136502 where: bonds (distance) C4'-P energy: -95.924 bonds (distance) P-C4' energy: -100.923 flat angles C4'-P-C4' energy: -90.019 flat angles P-C4'-P energy: -68.896 tors. eta vs tors. theta energy: -82.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1111.943199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.943199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.943199 (E_RNA) where: Base-Base interactions energy: -687.520 where: short stacking energy: -318.398 Base-Backbone interact. energy: -0.233 local terms energy: -424.190118 where: bonds (distance) C4'-P energy: -94.629 bonds (distance) P-C4' energy: -91.691 flat angles C4'-P-C4' energy: -99.781 flat angles P-C4'-P energy: -47.299 tors. eta vs tors. theta energy: -90.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -856.274680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.274680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.274680 (E_RNA) where: Base-Base interactions energy: -488.077 where: short stacking energy: -250.742 Base-Backbone interact. energy: -1.104 local terms energy: -367.094102 where: bonds (distance) C4'-P energy: -85.743 bonds (distance) P-C4' energy: -91.503 flat angles C4'-P-C4' energy: -90.369 flat angles P-C4'-P energy: -60.733 tors. eta vs tors. theta energy: -38.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -665.646992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.646992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.646992 (E_RNA) where: Base-Base interactions energy: -335.552 where: short stacking energy: -197.354 Base-Backbone interact. energy: -0.187 local terms energy: -329.908084 where: bonds (distance) C4'-P energy: -91.747 bonds (distance) P-C4' energy: -76.347 flat angles C4'-P-C4' energy: -98.869 flat angles P-C4'-P energy: -42.409 tors. eta vs tors. theta energy: -20.536 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: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -605.192233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.192233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.192233 (E_RNA) where: Base-Base interactions energy: -307.649 where: short stacking energy: -173.672 Base-Backbone interact. energy: -0.576 local terms energy: -296.966461 where: bonds (distance) C4'-P energy: -77.874 bonds (distance) P-C4' energy: -84.008 flat angles C4'-P-C4' energy: -67.368 flat angles P-C4'-P energy: -62.113 tors. eta vs tors. theta energy: -5.603 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: 1 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -396.722011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.722011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.722011 (E_RNA) where: Base-Base interactions energy: -136.027 where: short stacking energy: -131.491 Base-Backbone interact. energy: -1.837 local terms energy: -258.858049 where: bonds (distance) C4'-P energy: -72.895 bonds (distance) P-C4' energy: -89.714 flat angles C4'-P-C4' energy: -52.260 flat angles P-C4'-P energy: -32.160 tors. eta vs tors. theta energy: -11.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -375.507698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.507698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.507698 (E_RNA) where: Base-Base interactions energy: -100.096 where: short stacking energy: -92.970 Base-Backbone interact. energy: 5.261 local terms energy: -280.673227 where: bonds (distance) C4'-P energy: -95.346 bonds (distance) P-C4' energy: -84.329 flat angles C4'-P-C4' energy: -64.909 flat angles P-C4'-P energy: -50.535 tors. eta vs tors. theta energy: 14.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1521.280392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.280392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.280392 (E_RNA) where: Base-Base interactions energy: -1034.922 where: short stacking energy: -427.053 Base-Backbone interact. energy: -3.124 local terms energy: -483.234784 where: bonds (distance) C4'-P energy: -97.237 bonds (distance) P-C4' energy: -102.612 flat angles C4'-P-C4' energy: -97.069 flat angles P-C4'-P energy: -64.285 tors. eta vs tors. theta energy: -122.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1439.240765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.240765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.240765 (E_RNA) where: Base-Base interactions energy: -980.593 where: short stacking energy: -410.494 Base-Backbone interact. energy: -1.041 local terms energy: -457.607137 where: bonds (distance) C4'-P energy: -89.106 bonds (distance) P-C4' energy: -94.191 flat angles C4'-P-C4' energy: -89.902 flat angles P-C4'-P energy: -59.524 tors. eta vs tors. theta energy: -124.884 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: 4 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1366.140374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.140374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.140374 (E_RNA) where: Base-Base interactions energy: -915.316 where: short stacking energy: -413.412 Base-Backbone interact. energy: -1.828 local terms energy: -448.995749 where: bonds (distance) C4'-P energy: -92.076 bonds (distance) P-C4' energy: -85.834 flat angles C4'-P-C4' energy: -99.840 flat angles P-C4'-P energy: -60.150 tors. eta vs tors. theta energy: -111.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1214.842379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.842379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.842379 (E_RNA) where: Base-Base interactions energy: -780.981 where: short stacking energy: -347.929 Base-Backbone interact. energy: 3.754 local terms energy: -437.615086 where: bonds (distance) C4'-P energy: -85.360 bonds (distance) P-C4' energy: -80.123 flat angles C4'-P-C4' energy: -101.297 flat angles P-C4'-P energy: -75.896 tors. eta vs tors. theta energy: -94.940 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: 2 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1107.297117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.297117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.297117 (E_RNA) where: Base-Base interactions energy: -676.806 where: short stacking energy: -310.162 Base-Backbone interact. energy: -1.366 local terms energy: -429.125160 where: bonds (distance) C4'-P energy: -101.300 bonds (distance) P-C4' energy: -81.148 flat angles C4'-P-C4' energy: -87.400 flat angles P-C4'-P energy: -67.004 tors. eta vs tors. theta energy: -92.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -861.563302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.563302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.563302 (E_RNA) where: Base-Base interactions energy: -503.128 where: short stacking energy: -254.482 Base-Backbone interact. energy: 2.576 local terms energy: -361.011161 where: bonds (distance) C4'-P energy: -91.262 bonds (distance) P-C4' energy: -89.625 flat angles C4'-P-C4' energy: -85.563 flat angles P-C4'-P energy: -51.004 tors. eta vs tors. theta energy: -43.557 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: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -697.213719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.213719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.213719 (E_RNA) where: Base-Base interactions energy: -348.082 where: short stacking energy: -209.374 Base-Backbone interact. energy: -2.635 local terms energy: -346.497511 where: bonds (distance) C4'-P energy: -78.952 bonds (distance) P-C4' energy: -92.157 flat angles C4'-P-C4' energy: -83.270 flat angles P-C4'-P energy: -49.844 tors. eta vs tors. theta energy: -42.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -578.237798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.237798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.237798 (E_RNA) where: Base-Base interactions energy: -303.695 where: short stacking energy: -197.130 Base-Backbone interact. energy: 0.183 local terms energy: -274.725680 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -82.544 flat angles C4'-P-C4' energy: -75.599 flat angles P-C4'-P energy: -43.062 tors. eta vs tors. theta energy: -8.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -394.567934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.567934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.567934 (E_RNA) where: Base-Base interactions energy: -115.001 where: short stacking energy: -104.011 Base-Backbone interact. energy: 0.120 local terms energy: -279.686374 where: bonds (distance) C4'-P energy: -85.286 bonds (distance) P-C4' energy: -86.215 flat angles C4'-P-C4' energy: -83.438 flat angles P-C4'-P energy: -43.573 tors. eta vs tors. theta energy: 18.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -376.390330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.390330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.390330 (E_RNA) where: Base-Base interactions energy: -114.467 where: short stacking energy: -77.115 Base-Backbone interact. energy: 1.393 local terms energy: -263.317015 where: bonds (distance) C4'-P energy: -81.717 bonds (distance) P-C4' energy: -69.148 flat angles C4'-P-C4' energy: -83.179 flat angles P-C4'-P energy: -52.726 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: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1540.616404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.616404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.616404 (E_RNA) where: Base-Base interactions energy: -1056.105 where: short stacking energy: -453.316 Base-Backbone interact. energy: -1.065 local terms energy: -483.446003 where: bonds (distance) C4'-P energy: -86.647 bonds (distance) P-C4' energy: -95.220 flat angles C4'-P-C4' energy: -98.975 flat angles P-C4'-P energy: -72.632 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: 2, replica: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1436.327945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.327945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.327945 (E_RNA) where: Base-Base interactions energy: -975.836 where: short stacking energy: -404.686 Base-Backbone interact. energy: 0.623 local terms energy: -461.115486 where: bonds (distance) C4'-P energy: -80.307 bonds (distance) P-C4' energy: -95.601 flat angles C4'-P-C4' energy: -97.378 flat angles P-C4'-P energy: -68.128 tors. eta vs tors. theta energy: -119.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1370.847243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.847243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.847243 (E_RNA) where: Base-Base interactions energy: -895.983 where: short stacking energy: -403.035 Base-Backbone interact. energy: -0.108 local terms energy: -474.755986 where: bonds (distance) C4'-P energy: -89.930 bonds (distance) P-C4' energy: -89.653 flat angles C4'-P-C4' energy: -100.282 flat angles P-C4'-P energy: -74.158 tors. eta vs tors. theta energy: -120.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1205.043459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.043459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.043459 (E_RNA) where: Base-Base interactions energy: -790.987 where: short stacking energy: -361.004 Base-Backbone interact. energy: -0.661 local terms energy: -413.395455 where: bonds (distance) C4'-P energy: -99.428 bonds (distance) P-C4' energy: -79.942 flat angles C4'-P-C4' energy: -81.276 flat angles P-C4'-P energy: -52.724 tors. eta vs tors. theta energy: -100.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1100.415845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.415845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.415845 (E_RNA) where: Base-Base interactions energy: -684.481 where: short stacking energy: -313.635 Base-Backbone interact. energy: 0.545 local terms energy: -416.480401 where: bonds (distance) C4'-P energy: -86.842 bonds (distance) P-C4' energy: -98.570 flat angles C4'-P-C4' energy: -104.383 flat angles P-C4'-P energy: -42.762 tors. eta vs tors. theta energy: -83.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -849.065859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.065859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.065859 (E_RNA) where: Base-Base interactions energy: -493.852 where: short stacking energy: -250.457 Base-Backbone interact. energy: 0.985 local terms energy: -356.199003 where: bonds (distance) C4'-P energy: -76.979 bonds (distance) P-C4' energy: -97.199 flat angles C4'-P-C4' energy: -92.474 flat angles P-C4'-P energy: -44.010 tors. eta vs tors. theta energy: -45.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -654.297546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.297546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.297546 (E_RNA) where: Base-Base interactions energy: -343.109 where: short stacking energy: -204.229 Base-Backbone interact. energy: -1.624 local terms energy: -309.563881 where: bonds (distance) C4'-P energy: -90.631 bonds (distance) P-C4' energy: -80.822 flat angles C4'-P-C4' energy: -79.647 flat angles P-C4'-P energy: -35.388 tors. eta vs tors. theta energy: -23.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -628.527548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.527548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.527548 (E_RNA) where: Base-Base interactions energy: -320.484 where: short stacking energy: -171.818 Base-Backbone interact. energy: -2.162 local terms energy: -305.881776 where: bonds (distance) C4'-P energy: -74.376 bonds (distance) P-C4' energy: -89.529 flat angles C4'-P-C4' energy: -87.987 flat angles P-C4'-P energy: -40.832 tors. eta vs tors. theta energy: -13.158 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: 1 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -380.407406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.407406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.407406 (E_RNA) where: Base-Base interactions energy: -118.339 where: short stacking energy: -96.747 Base-Backbone interact. energy: -2.954 local terms energy: -259.114977 where: bonds (distance) C4'-P energy: -63.021 bonds (distance) P-C4' energy: -92.400 flat angles C4'-P-C4' energy: -72.654 flat angles P-C4'-P energy: -40.289 tors. eta vs tors. theta energy: 9.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -367.524791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.524791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.524791 (E_RNA) where: Base-Base interactions energy: -126.638 where: short stacking energy: -108.789 Base-Backbone interact. energy: 3.687 local terms energy: -244.573041 where: bonds (distance) C4'-P energy: -84.268 bonds (distance) P-C4' energy: -83.556 flat angles C4'-P-C4' energy: -61.108 flat angles P-C4'-P energy: -33.120 tors. eta vs tors. theta energy: 17.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1561.584327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.584327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.584327 (E_RNA) where: Base-Base interactions energy: -1053.345 where: short stacking energy: -450.039 Base-Backbone interact. energy: -0.891 local terms energy: -507.348500 where: bonds (distance) C4'-P energy: -95.325 bonds (distance) P-C4' energy: -102.140 flat angles C4'-P-C4' energy: -114.522 flat angles P-C4'-P energy: -62.817 tors. eta vs tors. theta energy: -132.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1427.453975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.453975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.453975 (E_RNA) where: Base-Base interactions energy: -953.606 where: short stacking energy: -427.076 Base-Backbone interact. energy: -2.807 local terms energy: -471.040570 where: bonds (distance) C4'-P energy: -93.857 bonds (distance) P-C4' energy: -94.169 flat angles C4'-P-C4' energy: -101.207 flat angles P-C4'-P energy: -55.558 tors. eta vs tors. theta energy: -126.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1335.243746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.243746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.243746 (E_RNA) where: Base-Base interactions energy: -870.345 where: short stacking energy: -406.235 Base-Backbone interact. energy: -1.671 local terms energy: -463.227471 where: bonds (distance) C4'-P energy: -75.807 bonds (distance) P-C4' energy: -92.723 flat angles C4'-P-C4' energy: -103.924 flat angles P-C4'-P energy: -62.971 tors. eta vs tors. theta energy: -127.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1230.588502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.588502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.588502 (E_RNA) where: Base-Base interactions energy: -807.167 where: short stacking energy: -382.513 Base-Backbone interact. energy: -0.171 local terms energy: -423.249844 where: bonds (distance) C4'-P energy: -81.331 bonds (distance) P-C4' energy: -88.518 flat angles C4'-P-C4' energy: -95.085 flat angles P-C4'-P energy: -47.740 tors. eta vs tors. theta energy: -110.575 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: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1086.173085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.173085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.173085 (E_RNA) where: Base-Base interactions energy: -675.595 where: short stacking energy: -313.431 Base-Backbone interact. energy: -1.485 local terms energy: -409.093014 where: bonds (distance) C4'-P energy: -78.875 bonds (distance) P-C4' energy: -91.468 flat angles C4'-P-C4' energy: -85.002 flat angles P-C4'-P energy: -67.799 tors. eta vs tors. theta energy: -85.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -863.058694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.058694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.058694 (E_RNA) where: Base-Base interactions energy: -521.058 where: short stacking energy: -252.626 Base-Backbone interact. energy: 1.233 local terms energy: -343.233550 where: bonds (distance) C4'-P energy: -69.810 bonds (distance) P-C4' energy: -90.406 flat angles C4'-P-C4' energy: -76.546 flat angles P-C4'-P energy: -58.745 tors. eta vs tors. theta energy: -47.726 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: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -651.954580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.954580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.954580 (E_RNA) where: Base-Base interactions energy: -347.577 where: short stacking energy: -195.042 Base-Backbone interact. energy: 0.532 local terms energy: -304.910301 where: bonds (distance) C4'-P energy: -71.436 bonds (distance) P-C4' energy: -93.808 flat angles C4'-P-C4' energy: -75.134 flat angles P-C4'-P energy: -48.187 tors. eta vs tors. theta energy: -16.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -588.383394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.383394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.383394 (E_RNA) where: Base-Base interactions energy: -305.016 where: short stacking energy: -150.006 Base-Backbone interact. energy: -1.249 local terms energy: -282.118153 where: bonds (distance) C4'-P energy: -77.457 bonds (distance) P-C4' energy: -81.035 flat angles C4'-P-C4' energy: -69.603 flat angles P-C4'-P energy: -43.760 tors. eta vs tors. theta energy: -10.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -443.085940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.085940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.085940 (E_RNA) where: Base-Base interactions energy: -195.332 where: short stacking energy: -119.745 Base-Backbone interact. energy: 2.254 local terms energy: -250.008090 where: bonds (distance) C4'-P energy: -81.018 bonds (distance) P-C4' energy: -74.868 flat angles C4'-P-C4' energy: -63.717 flat angles P-C4'-P energy: -43.373 tors. eta vs tors. theta energy: 12.969 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: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -373.593224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.593224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.593224 (E_RNA) where: Base-Base interactions energy: -147.306 where: short stacking energy: -111.835 Base-Backbone interact. energy: -1.060 local terms energy: -225.227159 where: bonds (distance) C4'-P energy: -64.524 bonds (distance) P-C4' energy: -90.165 flat angles C4'-P-C4' energy: -59.751 flat angles P-C4'-P energy: -32.665 tors. eta vs tors. theta energy: 21.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1524.216487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.216487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.216487 (E_RNA) where: Base-Base interactions energy: -1022.098 where: short stacking energy: -447.637 Base-Backbone interact. energy: 1.492 local terms energy: -503.610497 where: bonds (distance) C4'-P energy: -99.831 bonds (distance) P-C4' energy: -103.295 flat angles C4'-P-C4' energy: -99.593 flat angles P-C4'-P energy: -75.811 tors. eta vs tors. theta energy: -125.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1417.632686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.632686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.632686 (E_RNA) where: Base-Base interactions energy: -953.727 where: short stacking energy: -426.519 Base-Backbone interact. energy: -3.380 local terms energy: -460.525437 where: bonds (distance) C4'-P energy: -88.540 bonds (distance) P-C4' energy: -80.848 flat angles C4'-P-C4' energy: -109.832 flat angles P-C4'-P energy: -59.927 tors. eta vs tors. theta energy: -121.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1329.442537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.442537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.442537 (E_RNA) where: Base-Base interactions energy: -887.547 where: short stacking energy: -411.511 Base-Backbone interact. energy: -2.002 local terms energy: -439.893697 where: bonds (distance) C4'-P energy: -79.107 bonds (distance) P-C4' energy: -88.486 flat angles C4'-P-C4' energy: -84.848 flat angles P-C4'-P energy: -64.547 tors. eta vs tors. theta energy: -122.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1211.203221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.203221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.203221 (E_RNA) where: Base-Base interactions energy: -794.139 where: short stacking energy: -371.332 Base-Backbone interact. energy: -0.226 local terms energy: -416.838338 where: bonds (distance) C4'-P energy: -95.812 bonds (distance) P-C4' energy: -76.282 flat angles C4'-P-C4' energy: -87.137 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -105.891 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: 5, replica: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1095.618883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.618883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.618883 (E_RNA) where: Base-Base interactions energy: -694.168 where: short stacking energy: -327.708 Base-Backbone interact. energy: -1.049 local terms energy: -400.402554 where: bonds (distance) C4'-P energy: -78.649 bonds (distance) P-C4' energy: -97.523 flat angles C4'-P-C4' energy: -88.197 flat angles P-C4'-P energy: -44.166 tors. eta vs tors. theta energy: -91.868 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: 6, replica: 3 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -898.215208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.215208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.215208 (E_RNA) where: Base-Base interactions energy: -543.504 where: short stacking energy: -292.291 Base-Backbone interact. energy: 0.388 local terms energy: -355.098987 where: bonds (distance) C4'-P energy: -72.248 bonds (distance) P-C4' energy: -90.788 flat angles C4'-P-C4' energy: -93.214 flat angles P-C4'-P energy: -47.924 tors. eta vs tors. theta energy: -50.925 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: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -661.123643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.123643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.123643 (E_RNA) where: Base-Base interactions energy: -335.124 where: short stacking energy: -203.010 Base-Backbone interact. energy: 0.632 local terms energy: -326.631840 where: bonds (distance) C4'-P energy: -79.297 bonds (distance) P-C4' energy: -86.860 flat angles C4'-P-C4' energy: -90.455 flat angles P-C4'-P energy: -38.253 tors. eta vs tors. theta energy: -31.768 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: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -624.320084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.320084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.320084 (E_RNA) where: Base-Base interactions energy: -343.196 where: short stacking energy: -173.779 Base-Backbone interact. energy: 2.667 local terms energy: -283.791639 where: bonds (distance) C4'-P energy: -80.213 bonds (distance) P-C4' energy: -90.792 flat angles C4'-P-C4' energy: -61.723 flat angles P-C4'-P energy: -38.434 tors. eta vs tors. theta energy: -12.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -443.436042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.436042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.436042 (E_RNA) where: Base-Base interactions energy: -166.969 where: short stacking energy: -129.109 Base-Backbone interact. energy: -1.278 local terms energy: -275.189138 where: bonds (distance) C4'-P energy: -90.903 bonds (distance) P-C4' energy: -84.341 flat angles C4'-P-C4' energy: -62.172 flat angles P-C4'-P energy: -40.790 tors. eta vs tors. theta energy: 3.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -409.851547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.851547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.851547 (E_RNA) where: Base-Base interactions energy: -119.934 where: short stacking energy: -114.429 Base-Backbone interact. energy: -2.469 local terms energy: -287.448189 where: bonds (distance) C4'-P energy: -81.649 bonds (distance) P-C4' energy: -81.914 flat angles C4'-P-C4' energy: -76.487 flat angles P-C4'-P energy: -42.631 tors. eta vs tors. theta energy: -4.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1525.439985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.439985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.439985 (E_RNA) where: Base-Base interactions energy: -1033.704 where: short stacking energy: -440.667 Base-Backbone interact. energy: -1.199 local terms energy: -490.536594 where: bonds (distance) C4'-P energy: -105.580 bonds (distance) P-C4' energy: -88.173 flat angles C4'-P-C4' energy: -97.283 flat angles P-C4'-P energy: -69.571 tors. eta vs tors. theta energy: -129.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1430.110918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.110918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.110918 (E_RNA) where: Base-Base interactions energy: -954.268 where: short stacking energy: -426.774 Base-Backbone interact. energy: -2.201 local terms energy: -473.642489 where: bonds (distance) C4'-P energy: -89.095 bonds (distance) P-C4' energy: -89.459 flat angles C4'-P-C4' energy: -109.356 flat angles P-C4'-P energy: -59.354 tors. eta vs tors. theta energy: -126.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1331.808368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.808368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.808368 (E_RNA) where: Base-Base interactions energy: -870.011 where: short stacking energy: -391.894 Base-Backbone interact. energy: -2.998 local terms energy: -458.799999 where: bonds (distance) C4'-P energy: -79.623 bonds (distance) P-C4' energy: -96.948 flat angles C4'-P-C4' energy: -108.837 flat angles P-C4'-P energy: -55.772 tors. eta vs tors. theta energy: -117.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1200.455381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.455381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.455381 (E_RNA) where: Base-Base interactions energy: -763.252 where: short stacking energy: -366.319 Base-Backbone interact. energy: -2.074 local terms energy: -435.129160 where: bonds (distance) C4'-P energy: -86.913 bonds (distance) P-C4' energy: -87.673 flat angles C4'-P-C4' energy: -100.135 flat angles P-C4'-P energy: -62.407 tors. eta vs tors. theta energy: -98.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1095.511140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.511140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.511140 (E_RNA) where: Base-Base interactions energy: -677.528 where: short stacking energy: -339.920 Base-Backbone interact. energy: -0.764 local terms energy: -417.218866 where: bonds (distance) C4'-P energy: -86.882 bonds (distance) P-C4' energy: -85.154 flat angles C4'-P-C4' energy: -93.572 flat angles P-C4'-P energy: -62.637 tors. eta vs tors. theta energy: -88.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -959.227709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.227709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.227709 (E_RNA) where: Base-Base interactions energy: -582.488 where: short stacking energy: -294.333 Base-Backbone interact. energy: -0.161 local terms energy: -376.579235 where: bonds (distance) C4'-P energy: -76.613 bonds (distance) P-C4' energy: -85.022 flat angles C4'-P-C4' energy: -90.188 flat angles P-C4'-P energy: -58.048 tors. eta vs tors. theta energy: -66.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -598.828507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.828507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.828507 (E_RNA) where: Base-Base interactions energy: -300.260 where: short stacking energy: -165.106 Base-Backbone interact. energy: -0.218 local terms energy: -298.350311 where: bonds (distance) C4'-P energy: -60.133 bonds (distance) P-C4' energy: -93.119 flat angles C4'-P-C4' energy: -77.371 flat angles P-C4'-P energy: -46.945 tors. eta vs tors. theta energy: -20.783 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: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -697.940908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.940908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.940908 (E_RNA) where: Base-Base interactions energy: -384.352 where: short stacking energy: -220.406 Base-Backbone interact. energy: 4.170 local terms energy: -317.759075 where: bonds (distance) C4'-P energy: -87.397 bonds (distance) P-C4' energy: -88.633 flat angles C4'-P-C4' energy: -67.089 flat angles P-C4'-P energy: -46.672 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: 9, replica: 1 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -473.387382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.387382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.387382 (E_RNA) where: Base-Base interactions energy: -211.856 where: short stacking energy: -130.879 Base-Backbone interact. energy: -1.623 local terms energy: -259.907611 where: bonds (distance) C4'-P energy: -86.362 bonds (distance) P-C4' energy: -90.471 flat angles C4'-P-C4' energy: -68.216 flat angles P-C4'-P energy: -24.272 tors. eta vs tors. theta energy: 9.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -413.584381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.584381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.584381 (E_RNA) where: Base-Base interactions energy: -163.224 where: short stacking energy: -104.629 Base-Backbone interact. energy: 4.486 local terms energy: -254.846566 where: bonds (distance) C4'-P energy: -71.439 bonds (distance) P-C4' energy: -84.117 flat angles C4'-P-C4' energy: -85.491 flat angles P-C4'-P energy: -31.159 tors. eta vs tors. theta energy: 17.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1528.137287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.137287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.137287 (E_RNA) where: Base-Base interactions energy: -1041.424 where: short stacking energy: -422.175 Base-Backbone interact. energy: -2.377 local terms energy: -484.336273 where: bonds (distance) C4'-P energy: -94.137 bonds (distance) P-C4' energy: -93.032 flat angles C4'-P-C4' energy: -100.105 flat angles P-C4'-P energy: -67.554 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: 2, replica: 6 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1467.238598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.238598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.238598 (E_RNA) where: Base-Base interactions energy: -993.205 where: short stacking energy: -446.013 Base-Backbone interact. energy: -6.102 local terms energy: -467.932144 where: bonds (distance) C4'-P energy: -98.373 bonds (distance) P-C4' energy: -83.190 flat angles C4'-P-C4' energy: -101.361 flat angles P-C4'-P energy: -63.452 tors. eta vs tors. theta energy: -121.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1374.194022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.194022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.194022 (E_RNA) where: Base-Base interactions energy: -895.845 where: short stacking energy: -427.206 Base-Backbone interact. energy: -1.254 local terms energy: -477.094625 where: bonds (distance) C4'-P energy: -95.634 bonds (distance) P-C4' energy: -90.679 flat angles C4'-P-C4' energy: -100.030 flat angles P-C4'-P energy: -66.701 tors. eta vs tors. theta energy: -124.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1232.650824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.650824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.650824 (E_RNA) where: Base-Base interactions energy: -787.509 where: short stacking energy: -370.578 Base-Backbone interact. energy: 2.182 local terms energy: -447.324119 where: bonds (distance) C4'-P energy: -94.875 bonds (distance) P-C4' energy: -93.153 flat angles C4'-P-C4' energy: -96.888 flat angles P-C4'-P energy: -63.983 tors. eta vs tors. theta energy: -98.424 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: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1030.715978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.715978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.715978 (E_RNA) where: Base-Base interactions energy: -645.567 where: short stacking energy: -298.513 Base-Backbone interact. energy: 0.577 local terms energy: -385.725710 where: bonds (distance) C4'-P energy: -89.199 bonds (distance) P-C4' energy: -81.554 flat angles C4'-P-C4' energy: -94.449 flat angles P-C4'-P energy: -53.971 tors. eta vs tors. theta energy: -66.553 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: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -982.874069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.874069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.874069 (E_RNA) where: Base-Base interactions energy: -629.444 where: short stacking energy: -304.394 Base-Backbone interact. energy: 5.313 local terms energy: -358.742552 where: bonds (distance) C4'-P energy: -72.235 bonds (distance) P-C4' energy: -88.755 flat angles C4'-P-C4' energy: -79.979 flat angles P-C4'-P energy: -55.291 tors. eta vs tors. theta energy: -62.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -697.990576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.990576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.990576 (E_RNA) where: Base-Base interactions energy: -370.958 where: short stacking energy: -199.968 Base-Backbone interact. energy: 0.529 local terms energy: -327.561474 where: bonds (distance) C4'-P energy: -97.221 bonds (distance) P-C4' energy: -82.138 flat angles C4'-P-C4' energy: -81.743 flat angles P-C4'-P energy: -35.530 tors. eta vs tors. theta energy: -30.930 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: 9 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -556.178115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.178115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.178115 (E_RNA) where: Base-Base interactions energy: -282.840 where: short stacking energy: -165.266 Base-Backbone interact. energy: -3.602 local terms energy: -269.736215 where: bonds (distance) C4'-P energy: -56.072 bonds (distance) P-C4' energy: -92.515 flat angles C4'-P-C4' energy: -76.490 flat angles P-C4'-P energy: -43.472 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -567.720642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.720642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.720642 (E_RNA) where: Base-Base interactions energy: -289.350 where: short stacking energy: -152.118 Base-Backbone interact. energy: -1.302 local terms energy: -277.068517 where: bonds (distance) C4'-P energy: -70.218 bonds (distance) P-C4' energy: -79.563 flat angles C4'-P-C4' energy: -87.266 flat angles P-C4'-P energy: -42.495 tors. eta vs tors. theta energy: 2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -435.278044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.278044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.278044 (E_RNA) where: Base-Base interactions energy: -181.010 where: short stacking energy: -96.021 Base-Backbone interact. energy: 1.211 local terms energy: -255.478899 where: bonds (distance) C4'-P energy: -84.522 bonds (distance) P-C4' energy: -84.742 flat angles C4'-P-C4' energy: -67.396 flat angles P-C4'-P energy: -36.446 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: 1, replica: 8 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1534.107198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.107198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.107198 (E_RNA) where: Base-Base interactions energy: -1037.573 where: short stacking energy: -443.336 Base-Backbone interact. energy: -2.279 local terms energy: -494.255401 where: bonds (distance) C4'-P energy: -94.794 bonds (distance) P-C4' energy: -98.522 flat angles C4'-P-C4' energy: -101.825 flat angles P-C4'-P energy: -74.848 tors. eta vs tors. theta energy: -124.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1470.981056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.981056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.981056 (E_RNA) where: Base-Base interactions energy: -974.264 where: short stacking energy: -432.735 Base-Backbone interact. energy: -3.144 local terms energy: -493.573256 where: bonds (distance) C4'-P energy: -100.624 bonds (distance) P-C4' energy: -98.240 flat angles C4'-P-C4' energy: -115.120 flat angles P-C4'-P energy: -58.874 tors. eta vs tors. theta energy: -120.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1342.728066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.728066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.728066 (E_RNA) where: Base-Base interactions energy: -888.608 where: short stacking energy: -412.054 Base-Backbone interact. energy: 0.786 local terms energy: -454.905693 where: bonds (distance) C4'-P energy: -88.172 bonds (distance) P-C4' energy: -93.683 flat angles C4'-P-C4' energy: -95.623 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: -113.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1196.252954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.252954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.252954 (E_RNA) where: Base-Base interactions energy: -761.042 where: short stacking energy: -360.862 Base-Backbone interact. energy: -1.517 local terms energy: -433.693717 where: bonds (distance) C4'-P energy: -95.994 bonds (distance) P-C4' energy: -93.749 flat angles C4'-P-C4' energy: -78.481 flat angles P-C4'-P energy: -71.835 tors. eta vs tors. theta energy: -93.634 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: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1022.237180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.237180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.237180 (E_RNA) where: Base-Base interactions energy: -625.410 where: short stacking energy: -285.947 Base-Backbone interact. energy: -1.976 local terms energy: -394.852101 where: bonds (distance) C4'-P energy: -77.687 bonds (distance) P-C4' energy: -94.919 flat angles C4'-P-C4' energy: -86.043 flat angles P-C4'-P energy: -51.225 tors. eta vs tors. theta energy: -84.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -893.280157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.280157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.280157 (E_RNA) where: Base-Base interactions energy: -526.673 where: short stacking energy: -264.219 Base-Backbone interact. energy: 0.315 local terms energy: -366.921580 where: bonds (distance) C4'-P energy: -88.264 bonds (distance) P-C4' energy: -87.990 flat angles C4'-P-C4' energy: -79.884 flat angles P-C4'-P energy: -54.319 tors. eta vs tors. theta energy: -56.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -665.347427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.347427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.347427 (E_RNA) where: Base-Base interactions energy: -362.425 where: short stacking energy: -219.251 Base-Backbone interact. energy: -2.392 local terms energy: -300.529720 where: bonds (distance) C4'-P energy: -69.060 bonds (distance) P-C4' energy: -83.830 flat angles C4'-P-C4' energy: -66.926 flat angles P-C4'-P energy: -61.348 tors. eta vs tors. theta energy: -19.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -657.734960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.734960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.734960 (E_RNA) where: Base-Base interactions energy: -343.241 where: short stacking energy: -179.188 Base-Backbone interact. energy: -1.660 local terms energy: -312.833982 where: bonds (distance) C4'-P energy: -81.372 bonds (distance) P-C4' energy: -95.490 flat angles C4'-P-C4' energy: -78.701 flat angles P-C4'-P energy: -44.227 tors. eta vs tors. theta energy: -13.045 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: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -540.038052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.038052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.038052 (E_RNA) where: Base-Base interactions energy: -273.892 where: short stacking energy: -145.140 Base-Backbone interact. energy: -2.768 local terms energy: -263.378299 where: bonds (distance) C4'-P energy: -69.650 bonds (distance) P-C4' energy: -72.605 flat angles C4'-P-C4' energy: -71.632 flat angles P-C4'-P energy: -49.873 tors. eta vs tors. theta energy: 0.382 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: 5 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -467.599636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.599636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.599636 (E_RNA) where: Base-Base interactions energy: -208.767 where: short stacking energy: -119.763 Base-Backbone interact. energy: 0.257 local terms energy: -259.089866 where: bonds (distance) C4'-P energy: -78.990 bonds (distance) P-C4' energy: -91.690 flat angles C4'-P-C4' energy: -63.753 flat angles P-C4'-P energy: -38.912 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: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1557.827274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.827274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.827274 (E_RNA) where: Base-Base interactions energy: -1063.855 where: short stacking energy: -465.195 Base-Backbone interact. energy: -1.367 local terms energy: -492.605325 where: bonds (distance) C4'-P energy: -78.750 bonds (distance) P-C4' energy: -99.011 flat angles C4'-P-C4' energy: -109.568 flat angles P-C4'-P energy: -74.346 tors. eta vs tors. theta energy: -130.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1462.779255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.779255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.779255 (E_RNA) where: Base-Base interactions energy: -994.139 where: short stacking energy: -437.070 Base-Backbone interact. energy: -5.988 local terms energy: -462.652366 where: bonds (distance) C4'-P energy: -85.825 bonds (distance) P-C4' energy: -93.828 flat angles C4'-P-C4' energy: -107.897 flat angles P-C4'-P energy: -49.628 tors. eta vs tors. theta energy: -125.474 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: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1386.223861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.223861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.223861 (E_RNA) where: Base-Base interactions energy: -915.087 where: short stacking energy: -407.322 Base-Backbone interact. energy: -1.957 local terms energy: -469.180206 where: bonds (distance) C4'-P energy: -91.512 bonds (distance) P-C4' energy: -87.585 flat angles C4'-P-C4' energy: -95.992 flat angles P-C4'-P energy: -63.999 tors. eta vs tors. theta energy: -130.092 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: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1245.040312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.040312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.040312 (E_RNA) where: Base-Base interactions energy: -803.746 where: short stacking energy: -396.377 Base-Backbone interact. energy: -0.554 local terms energy: -440.740342 where: bonds (distance) C4'-P energy: -88.631 bonds (distance) P-C4' energy: -81.096 flat angles C4'-P-C4' energy: -101.213 flat angles P-C4'-P energy: -52.416 tors. eta vs tors. theta energy: -117.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1046.791946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.791946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.791946 (E_RNA) where: Base-Base interactions energy: -629.701 where: short stacking energy: -283.515 Base-Backbone interact. energy: -0.928 local terms energy: -416.162958 where: bonds (distance) C4'-P energy: -71.843 bonds (distance) P-C4' energy: -97.113 flat angles C4'-P-C4' energy: -105.981 flat angles P-C4'-P energy: -62.612 tors. eta vs tors. theta energy: -78.614 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: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -904.852560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.852560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.852560 (E_RNA) where: Base-Base interactions energy: -543.506 where: short stacking energy: -254.464 Base-Backbone interact. energy: 0.411 local terms energy: -361.756656 where: bonds (distance) C4'-P energy: -101.461 bonds (distance) P-C4' energy: -83.036 flat angles C4'-P-C4' energy: -93.236 flat angles P-C4'-P energy: -32.533 tors. eta vs tors. theta energy: -51.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -726.322357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.322357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.322357 (E_RNA) where: Base-Base interactions energy: -382.576 where: short stacking energy: -195.481 Base-Backbone interact. energy: 0.008 local terms energy: -343.753820 where: bonds (distance) C4'-P energy: -84.448 bonds (distance) P-C4' energy: -91.884 flat angles C4'-P-C4' energy: -81.157 flat angles P-C4'-P energy: -54.718 tors. eta vs tors. theta energy: -31.547 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: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -601.588985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.588985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.588985 (E_RNA) where: Base-Base interactions energy: -283.509 where: short stacking energy: -173.948 Base-Backbone interact. energy: -0.959 local terms energy: -317.120969 where: bonds (distance) C4'-P energy: -84.311 bonds (distance) P-C4' energy: -80.925 flat angles C4'-P-C4' energy: -85.230 flat angles P-C4'-P energy: -45.444 tors. eta vs tors. theta energy: -21.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -492.916890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.916890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.916890 (E_RNA) where: Base-Base interactions energy: -212.099 where: short stacking energy: -139.304 Base-Backbone interact. energy: 0.834 local terms energy: -281.652101 where: bonds (distance) C4'-P energy: -77.224 bonds (distance) P-C4' energy: -95.584 flat angles C4'-P-C4' energy: -67.264 flat angles P-C4'-P energy: -49.355 tors. eta vs tors. theta energy: 7.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -469.570479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.570479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.570479 (E_RNA) where: Base-Base interactions energy: -196.870 where: short stacking energy: -116.825 Base-Backbone interact. energy: 3.772 local terms energy: -276.472368 where: bonds (distance) C4'-P energy: -83.299 bonds (distance) P-C4' energy: -74.435 flat angles C4'-P-C4' energy: -69.849 flat angles P-C4'-P energy: -52.083 tors. eta vs tors. theta energy: 3.193 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: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1520.902172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.902172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.902172 (E_RNA) where: Base-Base interactions energy: -1034.641 where: short stacking energy: -440.085 Base-Backbone interact. energy: -0.949 local terms energy: -485.312029 where: bonds (distance) C4'-P energy: -90.208 bonds (distance) P-C4' energy: -93.473 flat angles C4'-P-C4' energy: -97.875 flat angles P-C4'-P energy: -72.682 tors. eta vs tors. theta energy: -131.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1439.667644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.667644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.667644 (E_RNA) where: Base-Base interactions energy: -973.184 where: short stacking energy: -411.962 Base-Backbone interact. energy: -3.285 local terms energy: -463.199192 where: bonds (distance) C4'-P energy: -86.143 bonds (distance) P-C4' energy: -93.880 flat angles C4'-P-C4' energy: -99.617 flat angles P-C4'-P energy: -73.068 tors. eta vs tors. theta energy: -110.491 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: 3, replica: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1364.117877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.117877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.117877 (E_RNA) where: Base-Base interactions energy: -892.112 where: short stacking energy: -408.080 Base-Backbone interact. energy: -1.692 local terms energy: -470.313610 where: bonds (distance) C4'-P energy: -94.154 bonds (distance) P-C4' energy: -88.746 flat angles C4'-P-C4' energy: -106.189 flat angles P-C4'-P energy: -60.109 tors. eta vs tors. theta energy: -121.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1203.800767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.800767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.800767 (E_RNA) where: Base-Base interactions energy: -756.772 where: short stacking energy: -349.101 Base-Backbone interact. energy: -1.086 local terms energy: -445.942925 where: bonds (distance) C4'-P energy: -87.305 bonds (distance) P-C4' energy: -89.123 flat angles C4'-P-C4' energy: -94.120 flat angles P-C4'-P energy: -66.036 tors. eta vs tors. theta energy: -109.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1071.376637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.376637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.376637 (E_RNA) where: Base-Base interactions energy: -671.276 where: short stacking energy: -318.243 Base-Backbone interact. energy: 0.996 local terms energy: -401.096552 where: bonds (distance) C4'-P energy: -72.238 bonds (distance) P-C4' energy: -85.531 flat angles C4'-P-C4' energy: -88.461 flat angles P-C4'-P energy: -64.420 tors. eta vs tors. theta energy: -90.447 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: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -878.457114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.457114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.457114 (E_RNA) where: Base-Base interactions energy: -543.200 where: short stacking energy: -249.207 Base-Backbone interact. energy: -2.046 local terms energy: -333.211105 where: bonds (distance) C4'-P energy: -81.889 bonds (distance) P-C4' energy: -93.452 flat angles C4'-P-C4' energy: -79.500 flat angles P-C4'-P energy: -39.617 tors. eta vs tors. theta energy: -38.753 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: 1 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -722.109781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.109781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.109781 (E_RNA) where: Base-Base interactions energy: -420.420 where: short stacking energy: -243.673 Base-Backbone interact. energy: -0.959 local terms energy: -300.730681 where: bonds (distance) C4'-P energy: -50.627 bonds (distance) P-C4' energy: -73.975 flat angles C4'-P-C4' energy: -90.616 flat angles P-C4'-P energy: -38.337 tors. eta vs tors. theta energy: -47.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -511.043559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.043559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.043559 (E_RNA) where: Base-Base interactions energy: -222.362 where: short stacking energy: -134.180 Base-Backbone interact. energy: -1.108 local terms energy: -287.573420 where: bonds (distance) C4'-P energy: -81.617 bonds (distance) P-C4' energy: -88.374 flat angles C4'-P-C4' energy: -78.412 flat angles P-C4'-P energy: -35.607 tors. eta vs tors. theta energy: -3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -469.125179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.125179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.125179 (E_RNA) where: Base-Base interactions energy: -189.568 where: short stacking energy: -119.261 Base-Backbone interact. energy: 5.585 local terms energy: -285.141407 where: bonds (distance) C4'-P energy: -76.552 bonds (distance) P-C4' energy: -84.776 flat angles C4'-P-C4' energy: -83.594 flat angles P-C4'-P energy: -42.941 tors. eta vs tors. theta energy: 2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -438.887057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.887057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.887057 (E_RNA) where: Base-Base interactions energy: -199.260 where: short stacking energy: -140.172 Base-Backbone interact. energy: 1.086 local terms energy: -240.712838 where: bonds (distance) C4'-P energy: -67.285 bonds (distance) P-C4' energy: -82.345 flat angles C4'-P-C4' energy: -55.161 flat angles P-C4'-P energy: -35.509 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: 1, replica: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1528.498234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.498234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.498234 (E_RNA) where: Base-Base interactions energy: -1027.966 where: short stacking energy: -458.748 Base-Backbone interact. energy: -2.291 local terms energy: -498.241395 where: bonds (distance) C4'-P energy: -92.924 bonds (distance) P-C4' energy: -87.459 flat angles C4'-P-C4' energy: -105.850 flat angles P-C4'-P energy: -71.072 tors. eta vs tors. theta energy: -140.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1433.241688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.241688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.241688 (E_RNA) where: Base-Base interactions energy: -950.271 where: short stacking energy: -425.812 Base-Backbone interact. energy: -4.720 local terms energy: -478.249914 where: bonds (distance) C4'-P energy: -88.734 bonds (distance) P-C4' energy: -91.221 flat angles C4'-P-C4' energy: -109.300 flat angles P-C4'-P energy: -73.163 tors. eta vs tors. theta energy: -115.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1410.259131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.259131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.259131 (E_RNA) where: Base-Base interactions energy: -925.034 where: short stacking energy: -431.622 Base-Backbone interact. energy: -2.800 local terms energy: -482.425593 where: bonds (distance) C4'-P energy: -91.473 bonds (distance) P-C4' energy: -100.850 flat angles C4'-P-C4' energy: -93.458 flat angles P-C4'-P energy: -68.214 tors. eta vs tors. theta energy: -128.430 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: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1221.363283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.363283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.363283 (E_RNA) where: Base-Base interactions energy: -802.905 where: short stacking energy: -369.460 Base-Backbone interact. energy: 5.113 local terms energy: -423.571766 where: bonds (distance) C4'-P energy: -78.507 bonds (distance) P-C4' energy: -98.182 flat angles C4'-P-C4' energy: -92.251 flat angles P-C4'-P energy: -60.360 tors. eta vs tors. theta energy: -94.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1082.630378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.630378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.630378 (E_RNA) where: Base-Base interactions energy: -673.882 where: short stacking energy: -335.463 Base-Backbone interact. energy: 1.987 local terms energy: -410.735462 where: bonds (distance) C4'-P energy: -92.396 bonds (distance) P-C4' energy: -79.098 flat angles C4'-P-C4' energy: -98.219 flat angles P-C4'-P energy: -53.782 tors. eta vs tors. theta energy: -87.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -904.609976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.609976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.609976 (E_RNA) where: Base-Base interactions energy: -536.242 where: short stacking energy: -286.679 Base-Backbone interact. energy: -1.906 local terms energy: -366.461956 where: bonds (distance) C4'-P energy: -67.971 bonds (distance) P-C4' energy: -94.110 flat angles C4'-P-C4' energy: -89.266 flat angles P-C4'-P energy: -54.634 tors. eta vs tors. theta energy: -60.481 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: 7, replica: 1 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -772.613904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.613904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.613904 (E_RNA) where: Base-Base interactions energy: -457.374 where: short stacking energy: -226.299 Base-Backbone interact. energy: -1.407 local terms energy: -313.832963 where: bonds (distance) C4'-P energy: -71.898 bonds (distance) P-C4' energy: -79.798 flat angles C4'-P-C4' energy: -78.656 flat angles P-C4'-P energy: -51.161 tors. eta vs tors. theta energy: -32.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -636.521779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.521779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.521779 (E_RNA) where: Base-Base interactions energy: -329.549 where: short stacking energy: -192.116 Base-Backbone interact. energy: -4.411 local terms energy: -302.561157 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -91.636 flat angles C4'-P-C4' energy: -83.162 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: -6.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -529.733744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.733744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.733744 (E_RNA) where: Base-Base interactions energy: -248.237 where: short stacking energy: -131.189 Base-Backbone interact. energy: -0.951 local terms energy: -280.544865 where: bonds (distance) C4'-P energy: -70.517 bonds (distance) P-C4' energy: -93.439 flat angles C4'-P-C4' energy: -73.433 flat angles P-C4'-P energy: -45.716 tors. eta vs tors. theta energy: 2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -426.605973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.605973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.605973 (E_RNA) where: Base-Base interactions energy: -182.461 where: short stacking energy: -133.056 Base-Backbone interact. energy: 1.500 local terms energy: -245.645058 where: bonds (distance) C4'-P energy: -69.225 bonds (distance) P-C4' energy: -81.143 flat angles C4'-P-C4' energy: -71.609 flat angles P-C4'-P energy: -34.901 tors. eta vs tors. theta energy: 11.232 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: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1531.156051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.156051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.156051 (E_RNA) where: Base-Base interactions energy: -1042.999 where: short stacking energy: -454.170 Base-Backbone interact. energy: -2.225 local terms energy: -485.931906 where: bonds (distance) C4'-P energy: -98.203 bonds (distance) P-C4' energy: -90.410 flat angles C4'-P-C4' energy: -105.144 flat angles P-C4'-P energy: -65.061 tors. eta vs tors. theta energy: -127.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1475.377117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.377117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.377117 (E_RNA) where: Base-Base interactions energy: -995.326 where: short stacking energy: -412.222 Base-Backbone interact. energy: -3.338 local terms energy: -476.712918 where: bonds (distance) C4'-P energy: -93.985 bonds (distance) P-C4' energy: -103.622 flat angles C4'-P-C4' energy: -101.688 flat angles P-C4'-P energy: -61.212 tors. eta vs tors. theta energy: -116.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1361.673441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.673441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.673441 (E_RNA) where: Base-Base interactions energy: -899.413 where: short stacking energy: -416.412 Base-Backbone interact. energy: 0.412 local terms energy: -462.673008 where: bonds (distance) C4'-P energy: -96.615 bonds (distance) P-C4' energy: -100.240 flat angles C4'-P-C4' energy: -87.108 flat angles P-C4'-P energy: -55.212 tors. eta vs tors. theta energy: -123.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1233.485248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.485248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.485248 (E_RNA) where: Base-Base interactions energy: -815.245 where: short stacking energy: -353.754 Base-Backbone interact. energy: -0.670 local terms energy: -417.570525 where: bonds (distance) C4'-P energy: -67.985 bonds (distance) P-C4' energy: -94.851 flat angles C4'-P-C4' energy: -90.407 flat angles P-C4'-P energy: -67.594 tors. eta vs tors. theta energy: -96.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1085.663380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.663380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.663380 (E_RNA) where: Base-Base interactions energy: -669.649 where: short stacking energy: -342.354 Base-Backbone interact. energy: 1.304 local terms energy: -417.317958 where: bonds (distance) C4'-P energy: -85.428 bonds (distance) P-C4' energy: -82.671 flat angles C4'-P-C4' energy: -97.621 flat angles P-C4'-P energy: -54.238 tors. eta vs tors. theta energy: -97.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -854.842931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.842931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.842931 (E_RNA) where: Base-Base interactions energy: -502.116 where: short stacking energy: -242.468 Base-Backbone interact. energy: -0.243 local terms energy: -352.484426 where: bonds (distance) C4'-P energy: -88.305 bonds (distance) P-C4' energy: -87.918 flat angles C4'-P-C4' energy: -73.987 flat angles P-C4'-P energy: -55.678 tors. eta vs tors. theta energy: -46.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -811.782465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.782465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.782465 (E_RNA) where: Base-Base interactions energy: -450.121 where: short stacking energy: -221.076 Base-Backbone interact. energy: 3.448 local terms energy: -365.109214 where: bonds (distance) C4'-P energy: -80.105 bonds (distance) P-C4' energy: -83.191 flat angles C4'-P-C4' energy: -107.057 flat angles P-C4'-P energy: -52.114 tors. eta vs tors. theta energy: -42.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -644.463919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.463919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.463919 (E_RNA) where: Base-Base interactions energy: -362.100 where: short stacking energy: -185.095 Base-Backbone interact. energy: 0.076 local terms energy: -282.440413 where: bonds (distance) C4'-P energy: -91.342 bonds (distance) P-C4' energy: -72.572 flat angles C4'-P-C4' energy: -60.691 flat angles P-C4'-P energy: -43.733 tors. eta vs tors. theta energy: -14.103 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: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -505.620643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.620643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.620643 (E_RNA) where: Base-Base interactions energy: -242.310 where: short stacking energy: -146.007 Base-Backbone interact. energy: -0.577 local terms energy: -262.733726 where: bonds (distance) C4'-P energy: -65.835 bonds (distance) P-C4' energy: -79.323 flat angles C4'-P-C4' energy: -77.288 flat angles P-C4'-P energy: -42.393 tors. eta vs tors. theta energy: 2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -381.806428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.806428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.806428 (E_RNA) where: Base-Base interactions energy: -113.305 where: short stacking energy: -112.957 Base-Backbone interact. energy: -0.556 local terms energy: -267.945961 where: bonds (distance) C4'-P energy: -82.543 bonds (distance) P-C4' energy: -82.984 flat angles C4'-P-C4' energy: -81.975 flat angles P-C4'-P energy: -36.155 tors. eta vs tors. theta energy: 15.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1511.555051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.555051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.555051 (E_RNA) where: Base-Base interactions energy: -1023.062 where: short stacking energy: -455.790 Base-Backbone interact. energy: -3.039 local terms energy: -485.453848 where: bonds (distance) C4'-P energy: -80.602 bonds (distance) P-C4' energy: -105.319 flat angles C4'-P-C4' energy: -104.421 flat angles P-C4'-P energy: -62.412 tors. eta vs tors. theta energy: -132.699 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: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1456.990610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.990610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.990610 (E_RNA) where: Base-Base interactions energy: -994.714 where: short stacking energy: -419.362 Base-Backbone interact. energy: -4.894 local terms energy: -457.383340 where: bonds (distance) C4'-P energy: -97.181 bonds (distance) P-C4' energy: -79.172 flat angles C4'-P-C4' energy: -98.184 flat angles P-C4'-P energy: -64.314 tors. eta vs tors. theta energy: -118.532 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: 4 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1366.511313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.511313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.511313 (E_RNA) where: Base-Base interactions energy: -888.872 where: short stacking energy: -404.922 Base-Backbone interact. energy: -1.458 local terms energy: -476.181721 where: bonds (distance) C4'-P energy: -88.568 bonds (distance) P-C4' energy: -91.075 flat angles C4'-P-C4' energy: -107.728 flat angles P-C4'-P energy: -69.765 tors. eta vs tors. theta energy: -119.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1232.532208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.532208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.532208 (E_RNA) where: Base-Base interactions energy: -772.259 where: short stacking energy: -364.930 Base-Backbone interact. energy: -0.906 local terms energy: -459.367335 where: bonds (distance) C4'-P energy: -96.424 bonds (distance) P-C4' energy: -93.823 flat angles C4'-P-C4' energy: -97.766 flat angles P-C4'-P energy: -61.048 tors. eta vs tors. theta energy: -110.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1130.776934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.776934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.776934 (E_RNA) where: Base-Base interactions energy: -716.955 where: short stacking energy: -362.561 Base-Backbone interact. energy: -1.318 local terms energy: -412.504234 where: bonds (distance) C4'-P energy: -93.844 bonds (distance) P-C4' energy: -70.625 flat angles C4'-P-C4' energy: -84.821 flat angles P-C4'-P energy: -67.211 tors. eta vs tors. theta energy: -96.003 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: 3 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -842.374927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.374927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.374927 (E_RNA) where: Base-Base interactions energy: -499.199 where: short stacking energy: -259.935 Base-Backbone interact. energy: 1.375 local terms energy: -344.550817 where: bonds (distance) C4'-P energy: -82.384 bonds (distance) P-C4' energy: -74.366 flat angles C4'-P-C4' energy: -91.359 flat angles P-C4'-P energy: -43.311 tors. eta vs tors. theta energy: -53.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -770.758544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.758544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.758544 (E_RNA) where: Base-Base interactions energy: -422.055 where: short stacking energy: -216.549 Base-Backbone interact. energy: -0.937 local terms energy: -347.766105 where: bonds (distance) C4'-P energy: -89.932 bonds (distance) P-C4' energy: -92.674 flat angles C4'-P-C4' energy: -81.146 flat angles P-C4'-P energy: -47.588 tors. eta vs tors. theta energy: -36.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -731.058130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.058130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.058130 (E_RNA) where: Base-Base interactions energy: -419.119 where: short stacking energy: -215.588 Base-Backbone interact. energy: -0.735 local terms energy: -311.203442 where: bonds (distance) C4'-P energy: -65.437 bonds (distance) P-C4' energy: -86.093 flat angles C4'-P-C4' energy: -63.621 flat angles P-C4'-P energy: -55.022 tors. eta vs tors. theta energy: -41.031 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: 5 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -502.554837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.554837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.554837 (E_RNA) where: Base-Base interactions energy: -198.899 where: short stacking energy: -134.745 Base-Backbone interact. energy: 7.593 local terms energy: -311.248703 where: bonds (distance) C4'-P energy: -80.670 bonds (distance) P-C4' energy: -87.186 flat angles C4'-P-C4' energy: -83.676 flat angles P-C4'-P energy: -52.794 tors. eta vs tors. theta energy: -6.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -381.583366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.583366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.583366 (E_RNA) where: Base-Base interactions energy: -134.788 where: short stacking energy: -127.250 Base-Backbone interact. energy: 2.156 local terms energy: -248.951812 where: bonds (distance) C4'-P energy: -85.611 bonds (distance) P-C4' energy: -71.061 flat angles C4'-P-C4' energy: -63.789 flat angles P-C4'-P energy: -38.521 tors. eta vs tors. theta energy: 10.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1511.729644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.729644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.729644 (E_RNA) where: Base-Base interactions energy: -1016.400 where: short stacking energy: -448.787 Base-Backbone interact. energy: -2.449 local terms energy: -492.880043 where: bonds (distance) C4'-P energy: -87.091 bonds (distance) P-C4' energy: -96.867 flat angles C4'-P-C4' energy: -103.738 flat angles P-C4'-P energy: -71.608 tors. eta vs tors. theta energy: -133.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1476.950318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.950318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.950318 (E_RNA) where: Base-Base interactions energy: -998.771 where: short stacking energy: -436.828 Base-Backbone interact. energy: -2.826 local terms energy: -475.353587 where: bonds (distance) C4'-P energy: -87.703 bonds (distance) P-C4' energy: -91.848 flat angles C4'-P-C4' energy: -107.890 flat angles P-C4'-P energy: -73.744 tors. eta vs tors. theta energy: -114.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1370.141735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.141735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.141735 (E_RNA) where: Base-Base interactions energy: -908.941 where: short stacking energy: -419.568 Base-Backbone interact. energy: -0.955 local terms energy: -460.246317 where: bonds (distance) C4'-P energy: -100.087 bonds (distance) P-C4' energy: -98.108 flat angles C4'-P-C4' energy: -97.873 flat angles P-C4'-P energy: -61.573 tors. eta vs tors. theta energy: -102.605 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: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1203.326019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.326019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.326019 (E_RNA) where: Base-Base interactions energy: -758.978 where: short stacking energy: -373.274 Base-Backbone interact. energy: -1.101 local terms energy: -443.247195 where: bonds (distance) C4'-P energy: -94.534 bonds (distance) P-C4' energy: -92.435 flat angles C4'-P-C4' energy: -94.296 flat angles P-C4'-P energy: -50.712 tors. eta vs tors. theta energy: -111.270 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: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1134.227499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.227499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.227499 (E_RNA) where: Base-Base interactions energy: -725.258 where: short stacking energy: -373.452 Base-Backbone interact. energy: -1.663 local terms energy: -407.305788 where: bonds (distance) C4'-P energy: -78.520 bonds (distance) P-C4' energy: -88.603 flat angles C4'-P-C4' energy: -87.258 flat angles P-C4'-P energy: -52.048 tors. eta vs tors. theta energy: -100.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -838.851475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.851475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.851475 (E_RNA) where: Base-Base interactions energy: -478.954 where: short stacking energy: -254.252 Base-Backbone interact. energy: -3.824 local terms energy: -356.073385 where: bonds (distance) C4'-P energy: -77.730 bonds (distance) P-C4' energy: -91.327 flat angles C4'-P-C4' energy: -86.434 flat angles P-C4'-P energy: -52.651 tors. eta vs tors. theta energy: -47.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -803.509898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.509898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.509898 (E_RNA) where: Base-Base interactions energy: -437.006 where: short stacking energy: -222.270 Base-Backbone interact. energy: -2.657 local terms energy: -363.846623 where: bonds (distance) C4'-P energy: -84.957 bonds (distance) P-C4' energy: -78.980 flat angles C4'-P-C4' energy: -93.237 flat angles P-C4'-P energy: -57.391 tors. eta vs tors. theta energy: -49.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -716.390732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.390732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.390732 (E_RNA) where: Base-Base interactions energy: -412.405 where: short stacking energy: -203.972 Base-Backbone interact. energy: -0.039 local terms energy: -303.946535 where: bonds (distance) C4'-P energy: -81.163 bonds (distance) P-C4' energy: -85.467 flat angles C4'-P-C4' energy: -69.585 flat angles P-C4'-P energy: -54.523 tors. eta vs tors. theta energy: -13.209 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: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -516.478813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.478813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.478813 (E_RNA) where: Base-Base interactions energy: -225.076 where: short stacking energy: -154.998 Base-Backbone interact. energy: 2.369 local terms energy: -293.771227 where: bonds (distance) C4'-P energy: -71.973 bonds (distance) P-C4' energy: -90.403 flat angles C4'-P-C4' energy: -67.684 flat angles P-C4'-P energy: -49.056 tors. eta vs tors. theta energy: -14.655 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: 285 Temperature: 1.350000 Total energy: -360.725703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.725703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.725703 (E_RNA) where: Base-Base interactions energy: -116.822 where: short stacking energy: -97.803 Base-Backbone interact. energy: -0.072 local terms energy: -243.831356 where: bonds (distance) C4'-P energy: -63.398 bonds (distance) P-C4' energy: -87.154 flat angles C4'-P-C4' energy: -74.227 flat angles P-C4'-P energy: -40.546 tors. eta vs tors. theta energy: 21.494 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: 6 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1488.252139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.252139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.252139 (E_RNA) where: Base-Base interactions energy: -994.269 where: short stacking energy: -455.547 Base-Backbone interact. energy: -3.684 local terms energy: -490.298587 where: bonds (distance) C4'-P energy: -101.667 bonds (distance) P-C4' energy: -85.844 flat angles C4'-P-C4' energy: -112.858 flat angles P-C4'-P energy: -63.598 tors. eta vs tors. theta energy: -126.332 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: 8 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1488.525127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.525127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.525127 (E_RNA) where: Base-Base interactions energy: -1024.026 where: short stacking energy: -449.080 Base-Backbone interact. energy: -2.578 local terms energy: -461.921093 where: bonds (distance) C4'-P energy: -82.721 bonds (distance) P-C4' energy: -98.347 flat angles C4'-P-C4' energy: -103.456 flat angles P-C4'-P energy: -62.385 tors. eta vs tors. theta energy: -115.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1404.070995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.070995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.070995 (E_RNA) where: Base-Base interactions energy: -928.261 where: short stacking energy: -423.612 Base-Backbone interact. energy: -1.016 local terms energy: -474.794765 where: bonds (distance) C4'-P energy: -91.069 bonds (distance) P-C4' energy: -91.004 flat angles C4'-P-C4' energy: -111.806 flat angles P-C4'-P energy: -62.090 tors. eta vs tors. theta energy: -118.826 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: 10 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1248.873426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.873426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.873426 (E_RNA) where: Base-Base interactions energy: -800.663 where: short stacking energy: -365.947 Base-Backbone interact. energy: -2.303 local terms energy: -445.907765 where: bonds (distance) C4'-P energy: -83.382 bonds (distance) P-C4' energy: -89.519 flat angles C4'-P-C4' energy: -107.183 flat angles P-C4'-P energy: -63.454 tors. eta vs tors. theta energy: -102.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1100.273751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.273751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.273751 (E_RNA) where: Base-Base interactions energy: -682.487 where: short stacking energy: -306.817 Base-Backbone interact. energy: -3.020 local terms energy: -414.767276 where: bonds (distance) C4'-P energy: -96.661 bonds (distance) P-C4' energy: -89.368 flat angles C4'-P-C4' energy: -89.521 flat angles P-C4'-P energy: -62.094 tors. eta vs tors. theta energy: -77.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -840.071835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.071835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.071835 (E_RNA) where: Base-Base interactions energy: -480.033 where: short stacking energy: -235.621 Base-Backbone interact. energy: 0.438 local terms energy: -360.476373 where: bonds (distance) C4'-P energy: -81.333 bonds (distance) P-C4' energy: -71.371 flat angles C4'-P-C4' energy: -89.044 flat angles P-C4'-P energy: -67.262 tors. eta vs tors. theta energy: -51.466 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: 7, replica: 1 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -771.401459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.401459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.401459 (E_RNA) where: Base-Base interactions energy: -429.627 where: short stacking energy: -239.277 Base-Backbone interact. energy: 0.010 local terms energy: -341.784343 where: bonds (distance) C4'-P energy: -85.187 bonds (distance) P-C4' energy: -88.784 flat angles C4'-P-C4' energy: -87.775 flat angles P-C4'-P energy: -47.492 tors. eta vs tors. theta energy: -32.546 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: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -765.719499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.719499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.719499 (E_RNA) where: Base-Base interactions energy: -443.986 where: short stacking energy: -215.703 Base-Backbone interact. energy: -2.215 local terms energy: -319.518414 where: bonds (distance) C4'-P energy: -75.861 bonds (distance) P-C4' energy: -98.571 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -58.332 tors. eta vs tors. theta energy: -19.205 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: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -450.777479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.777479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.777479 (E_RNA) where: Base-Base interactions energy: -214.089 where: short stacking energy: -175.018 Base-Backbone interact. energy: 0.572 local terms energy: -237.259782 where: bonds (distance) C4'-P energy: -74.822 bonds (distance) P-C4' energy: -61.263 flat angles C4'-P-C4' energy: -64.094 flat angles P-C4'-P energy: -23.250 tors. eta vs tors. theta energy: -13.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -366.195186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.195186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.195186 (E_RNA) where: Base-Base interactions energy: -141.803 where: short stacking energy: -120.771 Base-Backbone interact. energy: 0.450 local terms energy: -224.842440 where: bonds (distance) C4'-P energy: -70.217 bonds (distance) P-C4' energy: -96.383 flat angles C4'-P-C4' energy: -53.074 flat angles P-C4'-P energy: -31.120 tors. eta vs tors. theta energy: 25.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1489.584930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.584930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.584930 (E_RNA) where: Base-Base interactions energy: -1007.101 where: short stacking energy: -457.952 Base-Backbone interact. energy: -2.282 local terms energy: -480.202533 where: bonds (distance) C4'-P energy: -78.595 bonds (distance) P-C4' energy: -105.642 flat angles C4'-P-C4' energy: -105.490 flat angles P-C4'-P energy: -63.434 tors. eta vs tors. theta energy: -127.041 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: 8 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1443.248950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.248950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.248950 (E_RNA) where: Base-Base interactions energy: -975.545 where: short stacking energy: -416.916 Base-Backbone interact. energy: -4.824 local terms energy: -462.879701 where: bonds (distance) C4'-P energy: -84.226 bonds (distance) P-C4' energy: -103.885 flat angles C4'-P-C4' energy: -102.432 flat angles P-C4'-P energy: -52.970 tors. eta vs tors. theta energy: -119.367 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: 287 Temperature: 1.000000 Total energy: -1404.088048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.088048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.088048 (E_RNA) where: Base-Base interactions energy: -933.353 where: short stacking energy: -427.905 Base-Backbone interact. energy: -1.051 local terms energy: -469.683949 where: bonds (distance) C4'-P energy: -77.497 bonds (distance) P-C4' energy: -89.569 flat angles C4'-P-C4' energy: -104.745 flat angles P-C4'-P energy: -70.233 tors. eta vs tors. theta energy: -127.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1184.627981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.627981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.627981 (E_RNA) where: Base-Base interactions energy: -746.090 where: short stacking energy: -350.922 Base-Backbone interact. energy: -3.124 local terms energy: -435.414041 where: bonds (distance) C4'-P energy: -95.934 bonds (distance) P-C4' energy: -93.589 flat angles C4'-P-C4' energy: -88.612 flat angles P-C4'-P energy: -67.332 tors. eta vs tors. theta energy: -89.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1117.785027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.785027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.785027 (E_RNA) where: Base-Base interactions energy: -702.468 where: short stacking energy: -333.562 Base-Backbone interact. energy: -2.607 local terms energy: -412.709240 where: bonds (distance) C4'-P energy: -80.840 bonds (distance) P-C4' energy: -98.202 flat angles C4'-P-C4' energy: -87.399 flat angles P-C4'-P energy: -56.603 tors. eta vs tors. theta energy: -89.666 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: 3 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -829.371761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.371761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.371761 (E_RNA) where: Base-Base interactions energy: -472.729 where: short stacking energy: -236.138 Base-Backbone interact. energy: 3.933 local terms energy: -360.575920 where: bonds (distance) C4'-P energy: -89.368 bonds (distance) P-C4' energy: -91.456 flat angles C4'-P-C4' energy: -88.649 flat angles P-C4'-P energy: -60.985 tors. eta vs tors. theta energy: -30.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -775.943683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.943683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.943683 (E_RNA) where: Base-Base interactions energy: -439.113 where: short stacking energy: -227.380 Base-Backbone interact. energy: -2.226 local terms energy: -334.604652 where: bonds (distance) C4'-P energy: -77.732 bonds (distance) P-C4' energy: -97.181 flat angles C4'-P-C4' energy: -88.147 flat angles P-C4'-P energy: -35.589 tors. eta vs tors. theta energy: -35.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -682.784840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.784840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.784840 (E_RNA) where: Base-Base interactions energy: -391.628 where: short stacking energy: -206.968 Base-Backbone interact. energy: -0.920 local terms energy: -290.237301 where: bonds (distance) C4'-P energy: -74.940 bonds (distance) P-C4' energy: -83.580 flat angles C4'-P-C4' energy: -72.954 flat angles P-C4'-P energy: -29.435 tors. eta vs tors. theta energy: -29.328 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: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -415.739589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.739589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.739589 (E_RNA) where: Base-Base interactions energy: -164.512 where: short stacking energy: -130.877 Base-Backbone interact. energy: -0.896 local terms energy: -250.331379 where: bonds (distance) C4'-P energy: -74.646 bonds (distance) P-C4' energy: -79.975 flat angles C4'-P-C4' energy: -67.743 flat angles P-C4'-P energy: -42.514 tors. eta vs tors. theta energy: 14.547 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: 9 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -377.800694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.800694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.800694 (E_RNA) where: Base-Base interactions energy: -138.220 where: short stacking energy: -112.042 Base-Backbone interact. energy: 2.278 local terms energy: -241.858666 where: bonds (distance) C4'-P energy: -84.134 bonds (distance) P-C4' energy: -76.426 flat angles C4'-P-C4' energy: -67.466 flat angles P-C4'-P energy: -32.774 tors. eta vs tors. theta energy: 18.941 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: 6 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1538.000298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.000298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.000298 (E_RNA) where: Base-Base interactions energy: -1013.750 where: short stacking energy: -431.949 Base-Backbone interact. energy: -6.667 local terms energy: -517.583640 where: bonds (distance) C4'-P energy: -99.245 bonds (distance) P-C4' energy: -110.866 flat angles C4'-P-C4' energy: -114.144 flat angles P-C4'-P energy: -66.441 tors. eta vs tors. theta energy: -126.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1434.268973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.268973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.268973 (E_RNA) where: Base-Base interactions energy: -964.232 where: short stacking energy: -413.528 Base-Backbone interact. energy: -4.056 local terms energy: -465.980580 where: bonds (distance) C4'-P energy: -91.418 bonds (distance) P-C4' energy: -93.425 flat angles C4'-P-C4' energy: -97.181 flat angles P-C4'-P energy: -70.131 tors. eta vs tors. theta energy: -113.826 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: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1382.773192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.773192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.773192 (E_RNA) where: Base-Base interactions energy: -905.964 where: short stacking energy: -412.174 Base-Backbone interact. energy: -1.959 local terms energy: -474.850051 where: bonds (distance) C4'-P energy: -85.715 bonds (distance) P-C4' energy: -87.794 flat angles C4'-P-C4' energy: -108.721 flat angles P-C4'-P energy: -69.233 tors. eta vs tors. theta energy: -123.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1186.342597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.342597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.342597 (E_RNA) where: Base-Base interactions energy: -752.313 where: short stacking energy: -367.398 Base-Backbone interact. energy: -2.704 local terms energy: -431.326071 where: bonds (distance) C4'-P energy: -85.814 bonds (distance) P-C4' energy: -84.556 flat angles C4'-P-C4' energy: -98.726 flat angles P-C4'-P energy: -52.566 tors. eta vs tors. theta energy: -109.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1097.665742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.665742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.665742 (E_RNA) where: Base-Base interactions energy: -685.577 where: short stacking energy: -315.989 Base-Backbone interact. energy: -1.023 local terms energy: -411.065322 where: bonds (distance) C4'-P energy: -94.489 bonds (distance) P-C4' energy: -99.652 flat angles C4'-P-C4' energy: -83.236 flat angles P-C4'-P energy: -59.246 tors. eta vs tors. theta energy: -74.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -839.806065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.806065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.806065 (E_RNA) where: Base-Base interactions energy: -495.749 where: short stacking energy: -226.013 Base-Backbone interact. energy: 2.316 local terms energy: -346.373115 where: bonds (distance) C4'-P energy: -86.930 bonds (distance) P-C4' energy: -76.333 flat angles C4'-P-C4' energy: -81.674 flat angles P-C4'-P energy: -57.261 tors. eta vs tors. theta energy: -44.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -718.836697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.836697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.836697 (E_RNA) where: Base-Base interactions energy: -395.615 where: short stacking energy: -206.591 Base-Backbone interact. energy: -3.093 local terms energy: -320.129436 where: bonds (distance) C4'-P energy: -85.555 bonds (distance) P-C4' energy: -86.343 flat angles C4'-P-C4' energy: -65.453 flat angles P-C4'-P energy: -57.189 tors. eta vs tors. theta energy: -25.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -680.100715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.100715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.100715 (E_RNA) where: Base-Base interactions energy: -362.749 where: short stacking energy: -170.787 Base-Backbone interact. energy: 0.128 local terms energy: -317.479534 where: bonds (distance) C4'-P energy: -92.825 bonds (distance) P-C4' energy: -92.820 flat angles C4'-P-C4' energy: -72.228 flat angles P-C4'-P energy: -43.674 tors. eta vs tors. theta energy: -15.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -424.685213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.685213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.685213 (E_RNA) where: Base-Base interactions energy: -151.013 where: short stacking energy: -131.041 Base-Backbone interact. energy: 0.223 local terms energy: -273.895406 where: bonds (distance) C4'-P energy: -68.471 bonds (distance) P-C4' energy: -81.153 flat angles C4'-P-C4' energy: -70.486 flat angles P-C4'-P energy: -42.793 tors. eta vs tors. theta energy: -10.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -476.433074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.433074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.433074 (E_RNA) where: Base-Base interactions energy: -215.945 where: short stacking energy: -121.729 Base-Backbone interact. energy: -3.260 local terms energy: -257.228070 where: bonds (distance) C4'-P energy: -72.145 bonds (distance) P-C4' energy: -78.895 flat angles C4'-P-C4' energy: -70.935 flat angles P-C4'-P energy: -41.951 tors. eta vs tors. theta energy: 6.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1529.874230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.874230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.874230 (E_RNA) where: Base-Base interactions energy: -1036.181 where: short stacking energy: -430.579 Base-Backbone interact. energy: -4.690 local terms energy: -489.003861 where: bonds (distance) C4'-P energy: -89.126 bonds (distance) P-C4' energy: -100.418 flat angles C4'-P-C4' energy: -102.064 flat angles P-C4'-P energy: -70.060 tors. eta vs tors. theta energy: -127.336 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: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1466.343707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.343707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.343707 (E_RNA) where: Base-Base interactions energy: -977.944 where: short stacking energy: -440.721 Base-Backbone interact. energy: -3.561 local terms energy: -484.838193 where: bonds (distance) C4'-P energy: -91.934 bonds (distance) P-C4' energy: -98.163 flat angles C4'-P-C4' energy: -95.602 flat angles P-C4'-P energy: -71.088 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: 3, replica: 4 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1343.481196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.481196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.481196 (E_RNA) where: Base-Base interactions energy: -868.624 where: short stacking energy: -384.934 Base-Backbone interact. energy: 0.276 local terms energy: -475.133151 where: bonds (distance) C4'-P energy: -93.471 bonds (distance) P-C4' energy: -108.253 flat angles C4'-P-C4' energy: -92.966 flat angles P-C4'-P energy: -68.760 tors. eta vs tors. theta energy: -111.684 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: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1233.808507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.808507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.808507 (E_RNA) where: Base-Base interactions energy: -816.009 where: short stacking energy: -371.513 Base-Backbone interact. energy: 0.184 local terms energy: -417.983368 where: bonds (distance) C4'-P energy: -76.063 bonds (distance) P-C4' energy: -92.761 flat angles C4'-P-C4' energy: -94.499 flat angles P-C4'-P energy: -62.870 tors. eta vs tors. theta energy: -91.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1127.536409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.536409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.536409 (E_RNA) where: Base-Base interactions energy: -715.576 where: short stacking energy: -333.730 Base-Backbone interact. energy: -0.524 local terms energy: -411.435884 where: bonds (distance) C4'-P energy: -91.312 bonds (distance) P-C4' energy: -94.531 flat angles C4'-P-C4' energy: -90.243 flat angles P-C4'-P energy: -53.789 tors. eta vs tors. theta energy: -81.561 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: 3 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -904.026729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.026729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.026729 (E_RNA) where: Base-Base interactions energy: -522.772 where: short stacking energy: -254.216 Base-Backbone interact. energy: -0.712 local terms energy: -380.542511 where: bonds (distance) C4'-P energy: -91.072 bonds (distance) P-C4' energy: -97.123 flat angles C4'-P-C4' energy: -83.091 flat angles P-C4'-P energy: -58.070 tors. eta vs tors. theta energy: -51.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -743.343803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.343803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.343803 (E_RNA) where: Base-Base interactions energy: -395.339 where: short stacking energy: -232.281 Base-Backbone interact. energy: -2.760 local terms energy: -345.245378 where: bonds (distance) C4'-P energy: -78.750 bonds (distance) P-C4' energy: -89.173 flat angles C4'-P-C4' energy: -89.271 flat angles P-C4'-P energy: -46.711 tors. eta vs tors. theta energy: -41.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -698.186379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.186379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.186379 (E_RNA) where: Base-Base interactions energy: -393.557 where: short stacking energy: -190.883 Base-Backbone interact. energy: -0.895 local terms energy: -303.734591 where: bonds (distance) C4'-P energy: -89.796 bonds (distance) P-C4' energy: -84.564 flat angles C4'-P-C4' energy: -80.385 flat angles P-C4'-P energy: -37.466 tors. eta vs tors. theta energy: -11.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -420.555568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.555568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.555568 (E_RNA) where: Base-Base interactions energy: -161.616 where: short stacking energy: -117.301 Base-Backbone interact. energy: -0.009 local terms energy: -258.930528 where: bonds (distance) C4'-P energy: -81.786 bonds (distance) P-C4' energy: -83.482 flat angles C4'-P-C4' energy: -53.209 flat angles P-C4'-P energy: -40.791 tors. eta vs tors. theta energy: 0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -473.632482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.632482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.632482 (E_RNA) where: Base-Base interactions energy: -216.449 where: short stacking energy: -119.849 Base-Backbone interact. energy: 2.224 local terms energy: -259.408182 where: bonds (distance) C4'-P energy: -74.191 bonds (distance) P-C4' energy: -84.443 flat angles C4'-P-C4' energy: -59.837 flat angles P-C4'-P energy: -52.924 tors. eta vs tors. theta energy: 11.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1500.277528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.277528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.277528 (E_RNA) where: Base-Base interactions energy: -998.052 where: short stacking energy: -438.328 Base-Backbone interact. energy: -5.974 local terms energy: -496.251193 where: bonds (distance) C4'-P energy: -95.006 bonds (distance) P-C4' energy: -95.391 flat angles C4'-P-C4' energy: -105.964 flat angles P-C4'-P energy: -69.099 tors. eta vs tors. theta energy: -130.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1503.485725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.485725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.485725 (E_RNA) where: Base-Base interactions energy: -1008.913 where: short stacking energy: -442.805 Base-Backbone interact. energy: -3.937 local terms energy: -490.635397 where: bonds (distance) C4'-P energy: -91.055 bonds (distance) P-C4' energy: -101.292 flat angles C4'-P-C4' energy: -101.186 flat angles P-C4'-P energy: -74.715 tors. eta vs tors. theta energy: -122.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1338.922138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.922138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.922138 (E_RNA) where: Base-Base interactions energy: -857.089 where: short stacking energy: -395.001 Base-Backbone interact. energy: -3.180 local terms energy: -478.653158 where: bonds (distance) C4'-P energy: -97.842 bonds (distance) P-C4' energy: -96.229 flat angles C4'-P-C4' energy: -99.695 flat angles P-C4'-P energy: -71.211 tors. eta vs tors. theta energy: -113.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1201.217366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.217366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.217366 (E_RNA) where: Base-Base interactions energy: -776.164 where: short stacking energy: -324.762 Base-Backbone interact. energy: -1.481 local terms energy: -423.572708 where: bonds (distance) C4'-P energy: -84.479 bonds (distance) P-C4' energy: -91.639 flat angles C4'-P-C4' energy: -98.985 flat angles P-C4'-P energy: -65.081 tors. eta vs tors. theta energy: -83.388 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: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1127.249347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.249347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.249347 (E_RNA) where: Base-Base interactions energy: -714.244 where: short stacking energy: -336.080 Base-Backbone interact. energy: 1.252 local terms energy: -414.257814 where: bonds (distance) C4'-P energy: -84.091 bonds (distance) P-C4' energy: -87.404 flat angles C4'-P-C4' energy: -91.210 flat angles P-C4'-P energy: -57.532 tors. eta vs tors. theta energy: -94.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -900.107283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.107283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.107283 (E_RNA) where: Base-Base interactions energy: -523.640 where: short stacking energy: -271.531 Base-Backbone interact. energy: 0.141 local terms energy: -376.608993 where: bonds (distance) C4'-P energy: -72.958 bonds (distance) P-C4' energy: -82.376 flat angles C4'-P-C4' energy: -99.571 flat angles P-C4'-P energy: -55.487 tors. eta vs tors. theta energy: -66.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -748.364347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.364347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.364347 (E_RNA) where: Base-Base interactions energy: -420.924 where: short stacking energy: -224.410 Base-Backbone interact. energy: 0.932 local terms energy: -328.372163 where: bonds (distance) C4'-P energy: -79.699 bonds (distance) P-C4' energy: -90.846 flat angles C4'-P-C4' energy: -80.043 flat angles P-C4'-P energy: -43.930 tors. eta vs tors. theta energy: -33.854 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: 7 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -685.828702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.828702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.828702 (E_RNA) where: Base-Base interactions energy: -382.861 where: short stacking energy: -220.802 Base-Backbone interact. energy: -4.910 local terms energy: -298.056980 where: bonds (distance) C4'-P energy: -74.350 bonds (distance) P-C4' energy: -72.195 flat angles C4'-P-C4' energy: -66.773 flat angles P-C4'-P energy: -53.617 tors. eta vs tors. theta energy: -31.121 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: 290 Temperature: 1.300000 Total energy: -514.025557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.025557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.025557 (E_RNA) where: Base-Base interactions energy: -256.748 where: short stacking energy: -149.697 Base-Backbone interact. energy: 1.880 local terms energy: -259.157850 where: bonds (distance) C4'-P energy: -84.390 bonds (distance) P-C4' energy: -73.124 flat angles C4'-P-C4' energy: -56.943 flat angles P-C4'-P energy: -49.958 tors. eta vs tors. theta energy: 5.257 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: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -375.025490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.025490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.025490 (E_RNA) where: Base-Base interactions energy: -135.504 where: short stacking energy: -108.538 Base-Backbone interact. energy: -1.743 local terms energy: -237.779080 where: bonds (distance) C4'-P energy: -70.679 bonds (distance) P-C4' energy: -78.868 flat angles C4'-P-C4' energy: -59.615 flat angles P-C4'-P energy: -42.191 tors. eta vs tors. theta energy: 13.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1507.655203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.655203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.655203 (E_RNA) where: Base-Base interactions energy: -1011.519 where: short stacking energy: -440.591 Base-Backbone interact. energy: -1.331 local terms energy: -494.805479 where: bonds (distance) C4'-P energy: -92.749 bonds (distance) P-C4' energy: -96.272 flat angles C4'-P-C4' energy: -112.301 flat angles P-C4'-P energy: -57.832 tors. eta vs tors. theta energy: -135.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1518.251067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.251067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.251067 (E_RNA) where: Base-Base interactions energy: -1023.855 where: short stacking energy: -443.257 Base-Backbone interact. energy: -2.600 local terms energy: -491.796503 where: bonds (distance) C4'-P energy: -76.674 bonds (distance) P-C4' energy: -100.507 flat angles C4'-P-C4' energy: -117.480 flat angles P-C4'-P energy: -70.927 tors. eta vs tors. theta energy: -126.209 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: 4 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1319.973667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.973667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.973667 (E_RNA) where: Base-Base interactions energy: -859.071 where: short stacking energy: -399.890 Base-Backbone interact. energy: 1.855 local terms energy: -462.757831 where: bonds (distance) C4'-P energy: -88.931 bonds (distance) P-C4' energy: -92.961 flat angles C4'-P-C4' energy: -109.430 flat angles P-C4'-P energy: -57.002 tors. eta vs tors. theta energy: -114.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1189.991699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.991699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.991699 (E_RNA) where: Base-Base interactions energy: -783.389 where: short stacking energy: -354.934 Base-Backbone interact. energy: -0.587 local terms energy: -406.015724 where: bonds (distance) C4'-P energy: -77.679 bonds (distance) P-C4' energy: -77.211 flat angles C4'-P-C4' energy: -85.577 flat angles P-C4'-P energy: -68.168 tors. eta vs tors. theta energy: -97.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1139.047894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.047894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.047894 (E_RNA) where: Base-Base interactions energy: -723.738 where: short stacking energy: -333.864 Base-Backbone interact. energy: -0.842 local terms energy: -414.467906 where: bonds (distance) C4'-P energy: -81.199 bonds (distance) P-C4' energy: -88.310 flat angles C4'-P-C4' energy: -97.010 flat angles P-C4'-P energy: -47.673 tors. eta vs tors. theta energy: -100.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -860.578472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.578472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.578472 (E_RNA) where: Base-Base interactions energy: -527.272 where: short stacking energy: -242.842 Base-Backbone interact. energy: 2.603 local terms energy: -335.909842 where: bonds (distance) C4'-P energy: -80.929 bonds (distance) P-C4' energy: -76.131 flat angles C4'-P-C4' energy: -94.831 flat angles P-C4'-P energy: -45.262 tors. eta vs tors. theta energy: -38.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -694.774619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.774619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.774619 (E_RNA) where: Base-Base interactions energy: -389.002 where: short stacking energy: -186.255 Base-Backbone interact. energy: 1.768 local terms energy: -307.540836 where: bonds (distance) C4'-P energy: -81.242 bonds (distance) P-C4' energy: -73.466 flat angles C4'-P-C4' energy: -88.402 flat angles P-C4'-P energy: -50.086 tors. eta vs tors. theta energy: -14.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -571.782835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.782835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.782835 (E_RNA) where: Base-Base interactions energy: -242.712 where: short stacking energy: -163.459 Base-Backbone interact. energy: -2.119 local terms energy: -326.951758 where: bonds (distance) C4'-P energy: -87.990 bonds (distance) P-C4' energy: -86.028 flat angles C4'-P-C4' energy: -97.873 flat angles P-C4'-P energy: -48.182 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -653.475430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.475430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.475430 (E_RNA) where: Base-Base interactions energy: -361.340 where: short stacking energy: -181.839 Base-Backbone interact. energy: 3.466 local terms energy: -295.601351 where: bonds (distance) C4'-P energy: -75.473 bonds (distance) P-C4' energy: -87.430 flat angles C4'-P-C4' energy: -68.063 flat angles P-C4'-P energy: -61.062 tors. eta vs tors. theta energy: -3.574 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: 10, replica: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -427.799143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.799143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.799143 (E_RNA) where: Base-Base interactions energy: -182.988 where: short stacking energy: -103.098 Base-Backbone interact. energy: 2.339 local terms energy: -247.150529 where: bonds (distance) C4'-P energy: -70.818 bonds (distance) P-C4' energy: -71.559 flat angles C4'-P-C4' energy: -74.946 flat angles P-C4'-P energy: -45.578 tors. eta vs tors. theta energy: 15.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1516.787861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.787861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.787861 (E_RNA) where: Base-Base interactions energy: -1036.042 where: short stacking energy: -457.898 Base-Backbone interact. energy: -3.766 local terms energy: -476.979625 where: bonds (distance) C4'-P energy: -96.779 bonds (distance) P-C4' energy: -83.213 flat angles C4'-P-C4' energy: -101.668 flat angles P-C4'-P energy: -67.688 tors. eta vs tors. theta energy: -127.631 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: 6 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1494.428250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.428250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.428250 (E_RNA) where: Base-Base interactions energy: -998.249 where: short stacking energy: -433.307 Base-Backbone interact. energy: -1.921 local terms energy: -494.257976 where: bonds (distance) C4'-P energy: -97.731 bonds (distance) P-C4' energy: -96.320 flat angles C4'-P-C4' energy: -106.590 flat angles P-C4'-P energy: -67.657 tors. eta vs tors. theta energy: -125.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1361.498929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.498929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.498929 (E_RNA) where: Base-Base interactions energy: -889.330 where: short stacking energy: -412.321 Base-Backbone interact. energy: -0.874 local terms energy: -471.295317 where: bonds (distance) C4'-P energy: -100.054 bonds (distance) P-C4' energy: -81.159 flat angles C4'-P-C4' energy: -104.997 flat angles P-C4'-P energy: -73.254 tors. eta vs tors. theta energy: -111.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1200.237981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.237981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.237981 (E_RNA) where: Base-Base interactions energy: -767.221 where: short stacking energy: -363.556 Base-Backbone interact. energy: 0.719 local terms energy: -433.736501 where: bonds (distance) C4'-P energy: -86.466 bonds (distance) P-C4' energy: -104.283 flat angles C4'-P-C4' energy: -91.056 flat angles P-C4'-P energy: -64.679 tors. eta vs tors. theta energy: -87.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1141.332274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.332274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.332274 (E_RNA) where: Base-Base interactions energy: -710.310 where: short stacking energy: -343.009 Base-Backbone interact. energy: 1.378 local terms energy: -432.399987 where: bonds (distance) C4'-P energy: -92.326 bonds (distance) P-C4' energy: -93.578 flat angles C4'-P-C4' energy: -88.701 flat angles P-C4'-P energy: -61.184 tors. eta vs tors. theta energy: -96.612 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: 3 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -895.342281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.342281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.342281 (E_RNA) where: Base-Base interactions energy: -527.162 where: short stacking energy: -255.710 Base-Backbone interact. energy: -0.129 local terms energy: -368.050821 where: bonds (distance) C4'-P energy: -84.959 bonds (distance) P-C4' energy: -90.148 flat angles C4'-P-C4' energy: -87.880 flat angles P-C4'-P energy: -53.477 tors. eta vs tors. theta energy: -51.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -648.050503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.050503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.050503 (E_RNA) where: Base-Base interactions energy: -327.639 where: short stacking energy: -198.745 Base-Backbone interact. energy: -0.584 local terms energy: -319.828001 where: bonds (distance) C4'-P energy: -72.039 bonds (distance) P-C4' energy: -74.896 flat angles C4'-P-C4' energy: -80.661 flat angles P-C4'-P energy: -62.464 tors. eta vs tors. theta energy: -29.767 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: 8, replica: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -637.774529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.774529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.774529 (E_RNA) where: Base-Base interactions energy: -336.009 where: short stacking energy: -194.326 Base-Backbone interact. energy: -2.969 local terms energy: -298.797243 where: bonds (distance) C4'-P energy: -66.417 bonds (distance) P-C4' energy: -84.623 flat angles C4'-P-C4' energy: -79.424 flat angles P-C4'-P energy: -53.826 tors. eta vs tors. theta energy: -14.507 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: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -625.160929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.160929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.160929 (E_RNA) where: Base-Base interactions energy: -362.468 where: short stacking energy: -189.492 Base-Backbone interact. energy: -2.522 local terms energy: -260.170946 where: bonds (distance) C4'-P energy: -75.181 bonds (distance) P-C4' energy: -68.821 flat angles C4'-P-C4' energy: -64.234 flat angles P-C4'-P energy: -30.538 tors. eta vs tors. theta energy: -21.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -437.662947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.662947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.662947 (E_RNA) where: Base-Base interactions energy: -179.564 where: short stacking energy: -132.773 Base-Backbone interact. energy: 0.760 local terms energy: -258.859087 where: bonds (distance) C4'-P energy: -59.279 bonds (distance) P-C4' energy: -78.561 flat angles C4'-P-C4' energy: -80.481 flat angles P-C4'-P energy: -43.422 tors. eta vs tors. theta energy: 2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1556.924759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.924759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.924759 (E_RNA) where: Base-Base interactions energy: -1035.076 where: short stacking energy: -466.471 Base-Backbone interact. energy: -2.092 local terms energy: -519.756803 where: bonds (distance) C4'-P energy: -99.411 bonds (distance) P-C4' energy: -93.275 flat angles C4'-P-C4' energy: -113.132 flat angles P-C4'-P energy: -69.253 tors. eta vs tors. theta energy: -144.686 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: 2, replica: 6 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1488.128870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.128870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.128870 (E_RNA) where: Base-Base interactions energy: -1012.293 where: short stacking energy: -446.232 Base-Backbone interact. energy: -3.203 local terms energy: -472.632824 where: bonds (distance) C4'-P energy: -83.629 bonds (distance) P-C4' energy: -94.783 flat angles C4'-P-C4' energy: -86.279 flat angles P-C4'-P energy: -71.393 tors. eta vs tors. theta energy: -136.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1356.295509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.295509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.295509 (E_RNA) where: Base-Base interactions energy: -887.747 where: short stacking energy: -420.803 Base-Backbone interact. energy: -3.864 local terms energy: -464.684226 where: bonds (distance) C4'-P energy: -86.596 bonds (distance) P-C4' energy: -91.212 flat angles C4'-P-C4' energy: -111.949 flat angles P-C4'-P energy: -54.159 tors. eta vs tors. theta energy: -120.768 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: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1193.306370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.306370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.306370 (E_RNA) where: Base-Base interactions energy: -743.912 where: short stacking energy: -357.718 Base-Backbone interact. energy: -3.779 local terms energy: -445.615593 where: bonds (distance) C4'-P energy: -90.205 bonds (distance) P-C4' energy: -92.498 flat angles C4'-P-C4' energy: -93.784 flat angles P-C4'-P energy: -61.760 tors. eta vs tors. theta energy: -107.370 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: 293 Temperature: 1.100000 Total energy: -1113.073677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.073677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.073677 (E_RNA) where: Base-Base interactions energy: -701.323 where: short stacking energy: -320.329 Base-Backbone interact. energy: 0.308 local terms energy: -412.058434 where: bonds (distance) C4'-P energy: -81.396 bonds (distance) P-C4' energy: -97.792 flat angles C4'-P-C4' energy: -90.594 flat angles P-C4'-P energy: -67.541 tors. eta vs tors. theta energy: -74.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -929.351819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.351819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.351819 (E_RNA) where: Base-Base interactions energy: -553.535 where: short stacking energy: -275.504 Base-Backbone interact. energy: 0.445 local terms energy: -376.261189 where: bonds (distance) C4'-P energy: -80.603 bonds (distance) P-C4' energy: -92.552 flat angles C4'-P-C4' energy: -90.515 flat angles P-C4'-P energy: -57.346 tors. eta vs tors. theta energy: -55.245 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: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -648.931587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.931587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.931587 (E_RNA) where: Base-Base interactions energy: -335.383 where: short stacking energy: -207.669 Base-Backbone interact. energy: 0.351 local terms energy: -313.898738 where: bonds (distance) C4'-P energy: -70.362 bonds (distance) P-C4' energy: -82.732 flat angles C4'-P-C4' energy: -79.108 flat angles P-C4'-P energy: -52.689 tors. eta vs tors. theta energy: -29.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -681.231283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.231283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.231283 (E_RNA) where: Base-Base interactions energy: -366.031 where: short stacking energy: -197.156 Base-Backbone interact. energy: 2.931 local terms energy: -318.131751 where: bonds (distance) C4'-P energy: -85.562 bonds (distance) P-C4' energy: -80.233 flat angles C4'-P-C4' energy: -71.761 flat angles P-C4'-P energy: -47.474 tors. eta vs tors. theta energy: -33.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -654.829768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.829768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.829768 (E_RNA) where: Base-Base interactions energy: -363.452 where: short stacking energy: -181.654 Base-Backbone interact. energy: 1.835 local terms energy: -293.212611 where: bonds (distance) C4'-P energy: -70.590 bonds (distance) P-C4' energy: -84.270 flat angles C4'-P-C4' energy: -70.179 flat angles P-C4'-P energy: -57.577 tors. eta vs tors. theta energy: -10.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -429.165107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.165107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.165107 (E_RNA) where: Base-Base interactions energy: -158.440 where: short stacking energy: -111.606 Base-Backbone interact. energy: 0.493 local terms energy: -271.217811 where: bonds (distance) C4'-P energy: -88.549 bonds (distance) P-C4' energy: -82.353 flat angles C4'-P-C4' energy: -63.545 flat angles P-C4'-P energy: -47.016 tors. eta vs tors. theta energy: 10.245 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: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1530.325520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.325520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.325520 (E_RNA) where: Base-Base interactions energy: -1041.322 where: short stacking energy: -462.122 Base-Backbone interact. energy: -0.459 local terms energy: -488.545082 where: bonds (distance) C4'-P energy: -90.974 bonds (distance) P-C4' energy: -91.757 flat angles C4'-P-C4' energy: -107.535 flat angles P-C4'-P energy: -54.191 tors. eta vs tors. theta energy: -144.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1486.329103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.329103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.329103 (E_RNA) where: Base-Base interactions energy: -984.769 where: short stacking energy: -442.791 Base-Backbone interact. energy: -3.153 local terms energy: -498.407245 where: bonds (distance) C4'-P energy: -92.492 bonds (distance) P-C4' energy: -87.977 flat angles C4'-P-C4' energy: -107.923 flat angles P-C4'-P energy: -74.044 tors. eta vs tors. theta energy: -135.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1395.664050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.664050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.664050 (E_RNA) where: Base-Base interactions energy: -938.917 where: short stacking energy: -439.319 Base-Backbone interact. energy: 1.788 local terms energy: -458.534390 where: bonds (distance) C4'-P energy: -91.324 bonds (distance) P-C4' energy: -81.704 flat angles C4'-P-C4' energy: -100.723 flat angles P-C4'-P energy: -65.138 tors. eta vs tors. theta energy: -119.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1215.139757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.139757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.139757 (E_RNA) where: Base-Base interactions energy: -763.595 where: short stacking energy: -374.968 Base-Backbone interact. energy: -0.840 local terms energy: -450.704431 where: bonds (distance) C4'-P energy: -79.696 bonds (distance) P-C4' energy: -87.866 flat angles C4'-P-C4' energy: -98.971 flat angles P-C4'-P energy: -72.862 tors. eta vs tors. theta energy: -111.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1118.501849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.501849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.501849 (E_RNA) where: Base-Base interactions energy: -720.137 where: short stacking energy: -332.420 Base-Backbone interact. energy: -0.559 local terms energy: -397.806032 where: bonds (distance) C4'-P energy: -81.317 bonds (distance) P-C4' energy: -87.780 flat angles C4'-P-C4' energy: -94.606 flat angles P-C4'-P energy: -54.699 tors. eta vs tors. theta energy: -79.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -939.721910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.721910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.721910 (E_RNA) where: Base-Base interactions energy: -568.324 where: short stacking energy: -273.474 Base-Backbone interact. energy: -1.607 local terms energy: -369.790726 where: bonds (distance) C4'-P energy: -86.095 bonds (distance) P-C4' energy: -93.652 flat angles C4'-P-C4' energy: -84.794 flat angles P-C4'-P energy: -52.400 tors. eta vs tors. theta energy: -52.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -759.782053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.782053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.782053 (E_RNA) where: Base-Base interactions energy: -421.879 where: short stacking energy: -223.949 Base-Backbone interact. energy: 0.990 local terms energy: -338.892321 where: bonds (distance) C4'-P energy: -85.055 bonds (distance) P-C4' energy: -80.090 flat angles C4'-P-C4' energy: -95.819 flat angles P-C4'-P energy: -51.405 tors. eta vs tors. theta energy: -26.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -658.813634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.813634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.813634 (E_RNA) where: Base-Base interactions energy: -359.395 where: short stacking energy: -186.510 Base-Backbone interact. energy: 1.098 local terms energy: -300.516358 where: bonds (distance) C4'-P energy: -84.102 bonds (distance) P-C4' energy: -91.271 flat angles C4'-P-C4' energy: -65.042 flat angles P-C4'-P energy: -48.609 tors. eta vs tors. theta energy: -11.492 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: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -649.406551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.406551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.406551 (E_RNA) where: Base-Base interactions energy: -362.252 where: short stacking energy: -201.598 Base-Backbone interact. energy: 1.803 local terms energy: -288.958147 where: bonds (distance) C4'-P energy: -79.052 bonds (distance) P-C4' energy: -80.989 flat angles C4'-P-C4' energy: -69.543 flat angles P-C4'-P energy: -44.494 tors. eta vs tors. theta energy: -14.881 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: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -375.353845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.353845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.353845 (E_RNA) where: Base-Base interactions energy: -138.525 where: short stacking energy: -127.684 Base-Backbone interact. energy: 2.176 local terms energy: -239.005221 where: bonds (distance) C4'-P energy: -72.152 bonds (distance) P-C4' energy: -75.457 flat angles C4'-P-C4' energy: -81.463 flat angles P-C4'-P energy: -26.883 tors. eta vs tors. theta energy: 16.950 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: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1536.794007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.794007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.794007 (E_RNA) where: Base-Base interactions energy: -1031.303 where: short stacking energy: -443.729 Base-Backbone interact. energy: -2.410 local terms energy: -503.080526 where: bonds (distance) C4'-P energy: -100.275 bonds (distance) P-C4' energy: -100.460 flat angles C4'-P-C4' energy: -108.534 flat angles P-C4'-P energy: -69.966 tors. eta vs tors. theta energy: -123.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1500.391302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.391302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.391302 (E_RNA) where: Base-Base interactions energy: -1020.656 where: short stacking energy: -435.289 Base-Backbone interact. energy: 0.284 local terms energy: -480.019154 where: bonds (distance) C4'-P energy: -91.874 bonds (distance) P-C4' energy: -91.538 flat angles C4'-P-C4' energy: -98.852 flat angles P-C4'-P energy: -74.322 tors. eta vs tors. theta energy: -123.433 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: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1370.066063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.066063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.066063 (E_RNA) where: Base-Base interactions energy: -899.425 where: short stacking energy: -422.291 Base-Backbone interact. energy: -0.438 local terms energy: -470.202572 where: bonds (distance) C4'-P energy: -86.206 bonds (distance) P-C4' energy: -90.706 flat angles C4'-P-C4' energy: -108.978 flat angles P-C4'-P energy: -64.560 tors. eta vs tors. theta energy: -119.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1233.122466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.122466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.122466 (E_RNA) where: Base-Base interactions energy: -789.416 where: short stacking energy: -374.701 Base-Backbone interact. energy: -1.760 local terms energy: -441.946253 where: bonds (distance) C4'-P energy: -88.129 bonds (distance) P-C4' energy: -83.230 flat angles C4'-P-C4' energy: -87.470 flat angles P-C4'-P energy: -71.365 tors. eta vs tors. theta energy: -111.751 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: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1103.765891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.765891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.765891 (E_RNA) where: Base-Base interactions energy: -678.194 where: short stacking energy: -309.256 Base-Backbone interact. energy: -0.312 local terms energy: -425.260015 where: bonds (distance) C4'-P energy: -94.848 bonds (distance) P-C4' energy: -87.796 flat angles C4'-P-C4' energy: -86.201 flat angles P-C4'-P energy: -76.613 tors. eta vs tors. theta energy: -79.803 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: 6, replica: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -894.288477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.288477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.288477 (E_RNA) where: Base-Base interactions energy: -530.200 where: short stacking energy: -274.820 Base-Backbone interact. energy: 0.240 local terms energy: -364.327600 where: bonds (distance) C4'-P energy: -82.090 bonds (distance) P-C4' energy: -93.403 flat angles C4'-P-C4' energy: -82.320 flat angles P-C4'-P energy: -47.442 tors. eta vs tors. theta energy: -59.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -794.282611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.282611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.282611 (E_RNA) where: Base-Base interactions energy: -460.339 where: short stacking energy: -224.345 Base-Backbone interact. energy: -1.279 local terms energy: -332.664785 where: bonds (distance) C4'-P energy: -72.919 bonds (distance) P-C4' energy: -101.359 flat angles C4'-P-C4' energy: -66.263 flat angles P-C4'-P energy: -43.637 tors. eta vs tors. theta energy: -48.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -687.903249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.903249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.903249 (E_RNA) where: Base-Base interactions energy: -376.548 where: short stacking energy: -197.398 Base-Backbone interact. energy: 0.672 local terms energy: -312.027197 where: bonds (distance) C4'-P energy: -70.704 bonds (distance) P-C4' energy: -88.136 flat angles C4'-P-C4' energy: -83.072 flat angles P-C4'-P energy: -48.665 tors. eta vs tors. theta energy: -21.451 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: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -555.235149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.235149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.235149 (E_RNA) where: Base-Base interactions energy: -277.485 where: short stacking energy: -142.129 Base-Backbone interact. energy: -3.841 local terms energy: -273.909487 where: bonds (distance) C4'-P energy: -70.168 bonds (distance) P-C4' energy: -95.855 flat angles C4'-P-C4' energy: -74.972 flat angles P-C4'-P energy: -30.554 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -376.039669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.039669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.039669 (E_RNA) where: Base-Base interactions energy: -135.853 where: short stacking energy: -98.622 Base-Backbone interact. energy: 8.197 local terms energy: -248.384510 where: bonds (distance) C4'-P energy: -78.950 bonds (distance) P-C4' energy: -95.904 flat angles C4'-P-C4' energy: -54.212 flat angles P-C4'-P energy: -36.507 tors. eta vs tors. theta energy: 17.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1511.373625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.373625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.373625 (E_RNA) where: Base-Base interactions energy: -1029.622 where: short stacking energy: -445.373 Base-Backbone interact. energy: -4.240 local terms energy: -477.511031 where: bonds (distance) C4'-P energy: -101.230 bonds (distance) P-C4' energy: -88.774 flat angles C4'-P-C4' energy: -93.659 flat angles P-C4'-P energy: -71.628 tors. eta vs tors. theta energy: -122.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1462.740404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.740404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.740404 (E_RNA) where: Base-Base interactions energy: -978.608 where: short stacking energy: -425.768 Base-Backbone interact. energy: -3.175 local terms energy: -480.956951 where: bonds (distance) C4'-P energy: -108.581 bonds (distance) P-C4' energy: -82.351 flat angles C4'-P-C4' energy: -103.347 flat angles P-C4'-P energy: -69.807 tors. eta vs tors. theta energy: -116.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1393.062435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.062435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.062435 (E_RNA) where: Base-Base interactions energy: -922.556 where: short stacking energy: -443.868 Base-Backbone interact. energy: 0.399 local terms energy: -470.905546 where: bonds (distance) C4'-P energy: -90.972 bonds (distance) P-C4' energy: -84.383 flat angles C4'-P-C4' energy: -100.219 flat angles P-C4'-P energy: -70.267 tors. eta vs tors. theta energy: -125.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1237.731262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.731262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.731262 (E_RNA) where: Base-Base interactions energy: -795.854 where: short stacking energy: -385.998 Base-Backbone interact. energy: 0.799 local terms energy: -442.675735 where: bonds (distance) C4'-P energy: -89.193 bonds (distance) P-C4' energy: -90.378 flat angles C4'-P-C4' energy: -86.014 flat angles P-C4'-P energy: -64.852 tors. eta vs tors. theta energy: -112.237 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: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1129.539725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.539725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.539725 (E_RNA) where: Base-Base interactions energy: -721.175 where: short stacking energy: -336.289 Base-Backbone interact. energy: -1.001 local terms energy: -407.364151 where: bonds (distance) C4'-P energy: -81.489 bonds (distance) P-C4' energy: -91.226 flat angles C4'-P-C4' energy: -94.677 flat angles P-C4'-P energy: -55.506 tors. eta vs tors. theta energy: -84.466 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: 3 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -916.703913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.703913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.703913 (E_RNA) where: Base-Base interactions energy: -565.594 where: short stacking energy: -281.608 Base-Backbone interact. energy: 5.101 local terms energy: -356.210867 where: bonds (distance) C4'-P energy: -72.212 bonds (distance) P-C4' energy: -79.235 flat angles C4'-P-C4' energy: -89.814 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -50.687 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: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -783.132535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.132535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.132535 (E_RNA) where: Base-Base interactions energy: -461.029 where: short stacking energy: -241.326 Base-Backbone interact. energy: -2.913 local terms energy: -319.190550 where: bonds (distance) C4'-P energy: -79.178 bonds (distance) P-C4' energy: -81.148 flat angles C4'-P-C4' energy: -72.765 flat angles P-C4'-P energy: -38.746 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: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -702.970262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.970262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.970262 (E_RNA) where: Base-Base interactions energy: -401.468 where: short stacking energy: -203.284 Base-Backbone interact. energy: -0.628 local terms energy: -300.874636 where: bonds (distance) C4'-P energy: -93.650 bonds (distance) P-C4' energy: -84.636 flat angles C4'-P-C4' energy: -76.561 flat angles P-C4'-P energy: -32.115 tors. eta vs tors. theta energy: -13.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -551.441769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.441769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.441769 (E_RNA) where: Base-Base interactions energy: -267.720 where: short stacking energy: -156.941 Base-Backbone interact. energy: -1.606 local terms energy: -282.116047 where: bonds (distance) C4'-P energy: -65.884 bonds (distance) P-C4' energy: -78.059 flat angles C4'-P-C4' energy: -75.962 flat angles P-C4'-P energy: -46.280 tors. eta vs tors. theta energy: -15.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -372.317742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.317742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.317742 (E_RNA) where: Base-Base interactions energy: -112.529 where: short stacking energy: -100.232 Base-Backbone interact. energy: -0.732 local terms energy: -259.056953 where: bonds (distance) C4'-P energy: -79.761 bonds (distance) P-C4' energy: -85.871 flat angles C4'-P-C4' energy: -68.125 flat angles P-C4'-P energy: -43.264 tors. eta vs tors. theta energy: 17.963 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: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1525.552476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.552476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.552476 (E_RNA) where: Base-Base interactions energy: -1029.944 where: short stacking energy: -430.594 Base-Backbone interact. energy: -3.542 local terms energy: -492.066157 where: bonds (distance) C4'-P energy: -95.369 bonds (distance) P-C4' energy: -101.149 flat angles C4'-P-C4' energy: -111.421 flat angles P-C4'-P energy: -65.479 tors. eta vs tors. theta energy: -118.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1440.409032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.409032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.409032 (E_RNA) where: Base-Base interactions energy: -956.941 where: short stacking energy: -397.104 Base-Backbone interact. energy: -4.819 local terms energy: -478.649153 where: bonds (distance) C4'-P energy: -98.026 bonds (distance) P-C4' energy: -94.888 flat angles C4'-P-C4' energy: -101.142 flat angles P-C4'-P energy: -75.710 tors. eta vs tors. theta energy: -108.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1374.630960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.630960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.630960 (E_RNA) where: Base-Base interactions energy: -904.449 where: short stacking energy: -409.833 Base-Backbone interact. energy: -2.309 local terms energy: -467.872500 where: bonds (distance) C4'-P energy: -98.269 bonds (distance) P-C4' energy: -88.764 flat angles C4'-P-C4' energy: -102.526 flat angles P-C4'-P energy: -70.668 tors. eta vs tors. theta energy: -107.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1189.686035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.686035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.686035 (E_RNA) where: Base-Base interactions energy: -754.158 where: short stacking energy: -379.999 Base-Backbone interact. energy: -0.841 local terms energy: -434.687835 where: bonds (distance) C4'-P energy: -80.329 bonds (distance) P-C4' energy: -91.013 flat angles C4'-P-C4' energy: -89.715 flat angles P-C4'-P energy: -68.431 tors. eta vs tors. theta energy: -105.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1112.155966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.155966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.155966 (E_RNA) where: Base-Base interactions energy: -702.194 where: short stacking energy: -346.601 Base-Backbone interact. energy: -1.129 local terms energy: -408.832151 where: bonds (distance) C4'-P energy: -93.827 bonds (distance) P-C4' energy: -90.371 flat angles C4'-P-C4' energy: -84.401 flat angles P-C4'-P energy: -50.116 tors. eta vs tors. theta energy: -90.117 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: 3 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -897.027733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.027733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.027733 (E_RNA) where: Base-Base interactions energy: -552.478 where: short stacking energy: -281.419 Base-Backbone interact. energy: 0.693 local terms energy: -345.242823 where: bonds (distance) C4'-P energy: -89.011 bonds (distance) P-C4' energy: -87.242 flat angles C4'-P-C4' energy: -74.832 flat angles P-C4'-P energy: -43.760 tors. eta vs tors. theta energy: -50.397 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: 1 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -812.827020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.827020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.827020 (E_RNA) where: Base-Base interactions energy: -449.586 where: short stacking energy: -249.780 Base-Backbone interact. energy: -2.786 local terms energy: -360.455818 where: bonds (distance) C4'-P energy: -80.939 bonds (distance) P-C4' energy: -91.212 flat angles C4'-P-C4' energy: -85.282 flat angles P-C4'-P energy: -50.450 tors. eta vs tors. theta energy: -52.574 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: 297 Temperature: 1.250000 Total energy: -563.656176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.656176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.656176 (E_RNA) where: Base-Base interactions energy: -282.191 where: short stacking energy: -169.868 Base-Backbone interact. energy: -0.449 local terms energy: -281.016488 where: bonds (distance) C4'-P energy: -67.263 bonds (distance) P-C4' energy: -87.370 flat angles C4'-P-C4' energy: -81.401 flat angles P-C4'-P energy: -36.137 tors. eta vs tors. theta energy: -8.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -689.521792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.521792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.521792 (E_RNA) where: Base-Base interactions energy: -415.499 where: short stacking energy: -210.188 Base-Backbone interact. energy: -2.827 local terms energy: -271.195483 where: bonds (distance) C4'-P energy: -56.968 bonds (distance) P-C4' energy: -54.815 flat angles C4'-P-C4' energy: -93.027 flat angles P-C4'-P energy: -42.165 tors. eta vs tors. theta energy: -24.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -371.921159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.921159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.921159 (E_RNA) where: Base-Base interactions energy: -127.522 where: short stacking energy: -99.074 Base-Backbone interact. energy: 3.621 local terms energy: -248.020854 where: bonds (distance) C4'-P energy: -65.403 bonds (distance) P-C4' energy: -93.280 flat angles C4'-P-C4' energy: -66.751 flat angles P-C4'-P energy: -35.545 tors. eta vs tors. theta energy: 12.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1533.180048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.180048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.180048 (E_RNA) where: Base-Base interactions energy: -1034.748 where: short stacking energy: -457.163 Base-Backbone interact. energy: 0.333 local terms energy: -498.765159 where: bonds (distance) C4'-P energy: -87.604 bonds (distance) P-C4' energy: -96.982 flat angles C4'-P-C4' energy: -100.046 flat angles P-C4'-P energy: -81.403 tors. eta vs tors. theta energy: -132.730 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: 6 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1470.235603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.235603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.235603 (E_RNA) where: Base-Base interactions energy: -961.244 where: short stacking energy: -427.440 Base-Backbone interact. energy: -2.590 local terms energy: -506.401288 where: bonds (distance) C4'-P energy: -100.177 bonds (distance) P-C4' energy: -97.234 flat angles C4'-P-C4' energy: -104.146 flat angles P-C4'-P energy: -84.831 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: 3, replica: 4 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1363.803092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.803092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.803092 (E_RNA) where: Base-Base interactions energy: -890.163 where: short stacking energy: -406.908 Base-Backbone interact. energy: -0.240 local terms energy: -473.400153 where: bonds (distance) C4'-P energy: -86.473 bonds (distance) P-C4' energy: -109.265 flat angles C4'-P-C4' energy: -108.299 flat angles P-C4'-P energy: -57.880 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: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1206.305782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.305782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.305782 (E_RNA) where: Base-Base interactions energy: -777.153 where: short stacking energy: -363.333 Base-Backbone interact. energy: 2.124 local terms energy: -431.276791 where: bonds (distance) C4'-P energy: -81.506 bonds (distance) P-C4' energy: -86.732 flat angles C4'-P-C4' energy: -102.345 flat angles P-C4'-P energy: -67.424 tors. eta vs tors. theta energy: -93.268 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: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1155.865774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.865774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.865774 (E_RNA) where: Base-Base interactions energy: -732.314 where: short stacking energy: -342.911 Base-Backbone interact. energy: -0.910 local terms energy: -422.641530 where: bonds (distance) C4'-P energy: -88.577 bonds (distance) P-C4' energy: -86.747 flat angles C4'-P-C4' energy: -97.271 flat angles P-C4'-P energy: -59.331 tors. eta vs tors. theta energy: -90.716 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: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -876.459598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.459598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.459598 (E_RNA) where: Base-Base interactions energy: -510.532 where: short stacking energy: -249.556 Base-Backbone interact. energy: 1.937 local terms energy: -367.865145 where: bonds (distance) C4'-P energy: -69.939 bonds (distance) P-C4' energy: -93.639 flat angles C4'-P-C4' energy: -87.313 flat angles P-C4'-P energy: -62.718 tors. eta vs tors. theta energy: -54.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -788.931538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.931538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.931538 (E_RNA) where: Base-Base interactions energy: -449.025 where: short stacking energy: -207.635 Base-Backbone interact. energy: 1.945 local terms energy: -341.851780 where: bonds (distance) C4'-P energy: -81.317 bonds (distance) P-C4' energy: -84.157 flat angles C4'-P-C4' energy: -79.400 flat angles P-C4'-P energy: -57.367 tors. eta vs tors. theta energy: -39.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -634.466107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.466107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.466107 (E_RNA) where: Base-Base interactions energy: -331.173 where: short stacking energy: -209.044 Base-Backbone interact. energy: 2.926 local terms energy: -306.219223 where: bonds (distance) C4'-P energy: -82.926 bonds (distance) P-C4' energy: -74.034 flat angles C4'-P-C4' energy: -84.562 flat angles P-C4'-P energy: -46.634 tors. eta vs tors. theta energy: -18.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -615.237428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.237428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.237428 (E_RNA) where: Base-Base interactions energy: -359.704 where: short stacking energy: -185.548 Base-Backbone interact. energy: 2.367 local terms energy: -257.900137 where: bonds (distance) C4'-P energy: -83.555 bonds (distance) P-C4' energy: -83.645 flat angles C4'-P-C4' energy: -54.388 flat angles P-C4'-P energy: -21.904 tors. eta vs tors. theta energy: -14.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -356.800382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.800382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.800382 (E_RNA) where: Base-Base interactions energy: -120.826 where: short stacking energy: -102.552 Base-Backbone interact. energy: -0.121 local terms energy: -235.853789 where: bonds (distance) C4'-P energy: -67.408 bonds (distance) P-C4' energy: -83.476 flat angles C4'-P-C4' energy: -62.315 flat angles P-C4'-P energy: -39.177 tors. eta vs tors. theta energy: 16.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1511.097031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.097031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.097031 (E_RNA) where: Base-Base interactions energy: -997.209 where: short stacking energy: -428.257 Base-Backbone interact. energy: -3.142 local terms energy: -510.746255 where: bonds (distance) C4'-P energy: -90.699 bonds (distance) P-C4' energy: -106.024 flat angles C4'-P-C4' energy: -114.947 flat angles P-C4'-P energy: -71.503 tors. eta vs tors. theta energy: -127.573 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: 2, replica: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1462.240479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.240479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.240479 (E_RNA) where: Base-Base interactions energy: -975.846 where: short stacking energy: -413.954 Base-Backbone interact. energy: -4.464 local terms energy: -481.930059 where: bonds (distance) C4'-P energy: -93.168 bonds (distance) P-C4' energy: -92.860 flat angles C4'-P-C4' energy: -105.909 flat angles P-C4'-P energy: -77.097 tors. eta vs tors. theta energy: -112.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1322.173033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.173033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.173033 (E_RNA) where: Base-Base interactions energy: -869.445 where: short stacking energy: -409.662 Base-Backbone interact. energy: 0.950 local terms energy: -453.677785 where: bonds (distance) C4'-P energy: -101.730 bonds (distance) P-C4' energy: -72.825 flat angles C4'-P-C4' energy: -110.125 flat angles P-C4'-P energy: -61.245 tors. eta vs tors. theta energy: -107.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1194.847435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.847435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.847435 (E_RNA) where: Base-Base interactions energy: -772.151 where: short stacking energy: -340.926 Base-Backbone interact. energy: -0.839 local terms energy: -421.857321 where: bonds (distance) C4'-P energy: -86.034 bonds (distance) P-C4' energy: -81.727 flat angles C4'-P-C4' energy: -101.206 flat angles P-C4'-P energy: -62.579 tors. eta vs tors. theta energy: -90.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1108.158955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.158955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.158955 (E_RNA) where: Base-Base interactions energy: -683.664 where: short stacking energy: -335.998 Base-Backbone interact. energy: -1.799 local terms energy: -422.695993 where: bonds (distance) C4'-P energy: -78.074 bonds (distance) P-C4' energy: -89.053 flat angles C4'-P-C4' energy: -86.816 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -97.099 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: 3 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -923.941600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.941600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.941600 (E_RNA) where: Base-Base interactions energy: -552.377 where: short stacking energy: -284.603 Base-Backbone interact. energy: -0.614 local terms energy: -370.951134 where: bonds (distance) C4'-P energy: -92.707 bonds (distance) P-C4' energy: -74.809 flat angles C4'-P-C4' energy: -78.856 flat angles P-C4'-P energy: -55.740 tors. eta vs tors. theta energy: -68.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -819.638897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.638897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.638897 (E_RNA) where: Base-Base interactions energy: -498.913 where: short stacking energy: -235.169 Base-Backbone interact. energy: -1.871 local terms energy: -318.854249 where: bonds (distance) C4'-P energy: -78.009 bonds (distance) P-C4' energy: -79.619 flat angles C4'-P-C4' energy: -79.437 flat angles P-C4'-P energy: -55.389 tors. eta vs tors. theta energy: -26.400 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: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -672.057779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.057779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.057779 (E_RNA) where: Base-Base interactions energy: -362.304 where: short stacking energy: -201.085 Base-Backbone interact. energy: -2.397 local terms energy: -307.356503 where: bonds (distance) C4'-P energy: -87.229 bonds (distance) P-C4' energy: -67.723 flat angles C4'-P-C4' energy: -82.456 flat angles P-C4'-P energy: -56.235 tors. eta vs tors. theta energy: -13.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -570.521526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.521526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.521526 (E_RNA) where: Base-Base interactions energy: -281.659 where: short stacking energy: -167.556 Base-Backbone interact. energy: -1.438 local terms energy: -287.424485 where: bonds (distance) C4'-P energy: -87.171 bonds (distance) P-C4' energy: -79.306 flat angles C4'-P-C4' energy: -69.304 flat angles P-C4'-P energy: -33.610 tors. eta vs tors. theta energy: -18.034 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: 5 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -371.465097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.465097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.465097 (E_RNA) where: Base-Base interactions energy: -142.822 where: short stacking energy: -103.384 Base-Backbone interact. energy: 3.798 local terms energy: -232.441057 where: bonds (distance) C4'-P energy: -78.289 bonds (distance) P-C4' energy: -77.730 flat angles C4'-P-C4' energy: -53.889 flat angles P-C4'-P energy: -46.449 tors. eta vs tors. theta energy: 23.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1525.916501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.916501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.916501 (E_RNA) where: Base-Base interactions energy: -1031.062 where: short stacking energy: -447.484 Base-Backbone interact. energy: -2.406 local terms energy: -492.448426 where: bonds (distance) C4'-P energy: -86.973 bonds (distance) P-C4' energy: -106.714 flat angles C4'-P-C4' energy: -94.868 flat angles P-C4'-P energy: -69.298 tors. eta vs tors. theta energy: -134.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1480.461569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.461569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.461569 (E_RNA) where: Base-Base interactions energy: -1002.278 where: short stacking energy: -446.365 Base-Backbone interact. energy: -3.458 local terms energy: -474.725514 where: bonds (distance) C4'-P energy: -90.975 bonds (distance) P-C4' energy: -90.332 flat angles C4'-P-C4' energy: -106.383 flat angles P-C4'-P energy: -58.944 tors. eta vs tors. theta energy: -128.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1327.387648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.387648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.387648 (E_RNA) where: Base-Base interactions energy: -872.101 where: short stacking energy: -408.160 Base-Backbone interact. energy: -0.490 local terms energy: -454.796660 where: bonds (distance) C4'-P energy: -80.932 bonds (distance) P-C4' energy: -85.952 flat angles C4'-P-C4' energy: -103.918 flat angles P-C4'-P energy: -63.314 tors. eta vs tors. theta energy: -120.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1254.842316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.842316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.842316 (E_RNA) where: Base-Base interactions energy: -809.899 where: short stacking energy: -374.546 Base-Backbone interact. energy: -0.566 local terms energy: -444.377589 where: bonds (distance) C4'-P energy: -81.859 bonds (distance) P-C4' energy: -95.696 flat angles C4'-P-C4' energy: -96.896 flat angles P-C4'-P energy: -60.515 tors. eta vs tors. theta energy: -109.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1136.464832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.464832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.464832 (E_RNA) where: Base-Base interactions energy: -719.487 where: short stacking energy: -358.220 Base-Backbone interact. energy: -3.123 local terms energy: -413.854672 where: bonds (distance) C4'-P energy: -93.637 bonds (distance) P-C4' energy: -80.046 flat angles C4'-P-C4' energy: -96.592 flat angles P-C4'-P energy: -51.936 tors. eta vs tors. theta energy: -91.643 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: 3 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -918.447861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.447861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.447861 (E_RNA) where: Base-Base interactions energy: -548.996 where: short stacking energy: -272.681 Base-Backbone interact. energy: 1.170 local terms energy: -370.621089 where: bonds (distance) C4'-P energy: -95.186 bonds (distance) P-C4' energy: -77.711 flat angles C4'-P-C4' energy: -84.858 flat angles P-C4'-P energy: -45.932 tors. eta vs tors. theta energy: -66.933 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: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -748.029900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.029900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.029900 (E_RNA) where: Base-Base interactions energy: -411.184 where: short stacking energy: -221.242 Base-Backbone interact. energy: 0.420 local terms energy: -337.266187 where: bonds (distance) C4'-P energy: -77.644 bonds (distance) P-C4' energy: -92.586 flat angles C4'-P-C4' energy: -78.656 flat angles P-C4'-P energy: -41.100 tors. eta vs tors. theta energy: -47.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -627.256159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.256159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.256159 (E_RNA) where: Base-Base interactions energy: -318.229 where: short stacking energy: -186.591 Base-Backbone interact. energy: -2.063 local terms energy: -306.964713 where: bonds (distance) C4'-P energy: -82.892 bonds (distance) P-C4' energy: -100.056 flat angles C4'-P-C4' energy: -82.618 flat angles P-C4'-P energy: -33.511 tors. eta vs tors. theta energy: -7.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -551.010645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.010645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.010645 (E_RNA) where: Base-Base interactions energy: -252.223 where: short stacking energy: -148.045 Base-Backbone interact. energy: -1.502 local terms energy: -297.285458 where: bonds (distance) C4'-P energy: -85.110 bonds (distance) P-C4' energy: -86.463 flat angles C4'-P-C4' energy: -80.383 flat angles P-C4'-P energy: -42.305 tors. eta vs tors. theta energy: -3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -377.427273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.427273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.427273 (E_RNA) where: Base-Base interactions energy: -135.348 where: short stacking energy: -126.004 Base-Backbone interact. energy: -1.503 local terms energy: -240.576779 where: bonds (distance) C4'-P energy: -77.446 bonds (distance) P-C4' energy: -76.460 flat angles C4'-P-C4' energy: -70.050 flat angles P-C4'-P energy: -27.561 tors. eta vs tors. theta energy: 10.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1494.172891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.172891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.172891 (E_RNA) where: Base-Base interactions energy: -1009.859 where: short stacking energy: -432.503 Base-Backbone interact. energy: -8.059 local terms energy: -476.254659 where: bonds (distance) C4'-P energy: -93.611 bonds (distance) P-C4' energy: -93.166 flat angles C4'-P-C4' energy: -100.432 flat angles P-C4'-P energy: -65.837 tors. eta vs tors. theta energy: -123.209 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: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1488.102860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.102860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.102860 (E_RNA) where: Base-Base interactions energy: -999.005 where: short stacking energy: -434.027 Base-Backbone interact. energy: -1.874 local terms energy: -487.224030 where: bonds (distance) C4'-P energy: -97.066 bonds (distance) P-C4' energy: -94.646 flat angles C4'-P-C4' energy: -109.442 flat angles P-C4'-P energy: -53.748 tors. eta vs tors. theta energy: -132.323 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: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1342.216811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.216811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.216811 (E_RNA) where: Base-Base interactions energy: -872.284 where: short stacking energy: -386.415 Base-Backbone interact. energy: -1.866 local terms energy: -468.066628 where: bonds (distance) C4'-P energy: -80.885 bonds (distance) P-C4' energy: -93.875 flat angles C4'-P-C4' energy: -110.299 flat angles P-C4'-P energy: -73.933 tors. eta vs tors. theta energy: -109.075 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: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1215.261638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.261638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.261638 (E_RNA) where: Base-Base interactions energy: -771.782 where: short stacking energy: -367.142 Base-Backbone interact. energy: 1.100 local terms energy: -444.579110 where: bonds (distance) C4'-P energy: -82.502 bonds (distance) P-C4' energy: -84.056 flat angles C4'-P-C4' energy: -99.405 flat angles P-C4'-P energy: -68.534 tors. eta vs tors. theta energy: -110.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1080.895984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.895984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.895984 (E_RNA) where: Base-Base interactions energy: -704.041 where: short stacking energy: -356.718 Base-Backbone interact. energy: 7.533 local terms energy: -384.387890 where: bonds (distance) C4'-P energy: -77.991 bonds (distance) P-C4' energy: -86.095 flat angles C4'-P-C4' energy: -86.391 flat angles P-C4'-P energy: -46.635 tors. eta vs tors. theta energy: -87.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -915.481475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.481475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.481475 (E_RNA) where: Base-Base interactions energy: -551.819 where: short stacking energy: -268.075 Base-Backbone interact. energy: -3.225 local terms energy: -360.437844 where: bonds (distance) C4'-P energy: -73.662 bonds (distance) P-C4' energy: -73.184 flat angles C4'-P-C4' energy: -90.556 flat angles P-C4'-P energy: -52.122 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: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -776.943563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.943563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.943563 (E_RNA) where: Base-Base interactions energy: -463.661 where: short stacking energy: -223.424 Base-Backbone interact. energy: -1.956 local terms energy: -311.326016 where: bonds (distance) C4'-P energy: -66.551 bonds (distance) P-C4' energy: -84.273 flat angles C4'-P-C4' energy: -75.754 flat angles P-C4'-P energy: -53.117 tors. eta vs tors. theta energy: -31.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -600.890397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.890397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.890397 (E_RNA) where: Base-Base interactions energy: -326.687 where: short stacking energy: -162.692 Base-Backbone interact. energy: 1.263 local terms energy: -275.465476 where: bonds (distance) C4'-P energy: -72.546 bonds (distance) P-C4' energy: -84.022 flat angles C4'-P-C4' energy: -66.348 flat angles P-C4'-P energy: -30.373 tors. eta vs tors. theta energy: -22.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -520.724596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.724596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.724596 (E_RNA) where: Base-Base interactions energy: -264.650 where: short stacking energy: -177.299 Base-Backbone interact. energy: -0.683 local terms energy: -255.391326 where: bonds (distance) C4'-P energy: -64.817 bonds (distance) P-C4' energy: -66.231 flat angles C4'-P-C4' energy: -81.902 flat angles P-C4'-P energy: -35.217 tors. eta vs tors. theta energy: -7.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -376.526806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.526806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.526806 (E_RNA) where: Base-Base interactions energy: -128.821 where: short stacking energy: -103.082 Base-Backbone interact. energy: -2.401 local terms energy: -245.305685 where: bonds (distance) C4'-P energy: -86.891 bonds (distance) P-C4' energy: -78.258 flat angles C4'-P-C4' energy: -58.491 flat angles P-C4'-P energy: -36.110 tors. eta vs tors. theta energy: 14.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1544.123609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.123609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.123609 (E_RNA) where: Base-Base interactions energy: -1047.570 where: short stacking energy: -446.451 Base-Backbone interact. energy: -1.964 local terms energy: -494.588817 where: bonds (distance) C4'-P energy: -87.308 bonds (distance) P-C4' energy: -94.442 flat angles C4'-P-C4' energy: -103.246 flat angles P-C4'-P energy: -75.145 tors. eta vs tors. theta energy: -134.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1446.195010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.195010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.195010 (E_RNA) where: Base-Base interactions energy: -979.002 where: short stacking energy: -415.121 Base-Backbone interact. energy: 1.663 local terms energy: -468.855752 where: bonds (distance) C4'-P energy: -91.869 bonds (distance) P-C4' energy: -101.079 flat angles C4'-P-C4' energy: -90.614 flat angles P-C4'-P energy: -71.355 tors. eta vs tors. theta energy: -113.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1364.474900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.474900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.474900 (E_RNA) where: Base-Base interactions energy: -896.933 where: short stacking energy: -402.875 Base-Backbone interact. energy: -1.087 local terms energy: -466.454291 where: bonds (distance) C4'-P energy: -86.722 bonds (distance) P-C4' energy: -88.501 flat angles C4'-P-C4' energy: -94.454 flat angles P-C4'-P energy: -69.504 tors. eta vs tors. theta energy: -127.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1192.918759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.918759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.918759 (E_RNA) where: Base-Base interactions energy: -765.966 where: short stacking energy: -358.787 Base-Backbone interact. energy: -0.612 local terms energy: -426.340202 where: bonds (distance) C4'-P energy: -90.153 bonds (distance) P-C4' energy: -98.363 flat angles C4'-P-C4' energy: -90.138 flat angles P-C4'-P energy: -51.322 tors. eta vs tors. theta energy: -96.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1108.792184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.792184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.792184 (E_RNA) where: Base-Base interactions energy: -705.309 where: short stacking energy: -324.460 Base-Backbone interact. energy: 2.810 local terms energy: -406.292582 where: bonds (distance) C4'-P energy: -73.947 bonds (distance) P-C4' energy: -92.212 flat angles C4'-P-C4' energy: -82.778 flat angles P-C4'-P energy: -66.541 tors. eta vs tors. theta energy: -90.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -934.973616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.973616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.973616 (E_RNA) where: Base-Base interactions energy: -544.602 where: short stacking energy: -279.856 Base-Backbone interact. energy: -2.245 local terms energy: -388.126415 where: bonds (distance) C4'-P energy: -85.698 bonds (distance) P-C4' energy: -75.018 flat angles C4'-P-C4' energy: -93.228 flat angles P-C4'-P energy: -61.485 tors. eta vs tors. theta energy: -72.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -777.796901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.796901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.796901 (E_RNA) where: Base-Base interactions energy: -431.129 where: short stacking energy: -210.920 Base-Backbone interact. energy: 0.788 local terms energy: -347.456381 where: bonds (distance) C4'-P energy: -91.070 bonds (distance) P-C4' energy: -85.925 flat angles C4'-P-C4' energy: -73.390 flat angles P-C4'-P energy: -48.304 tors. eta vs tors. theta energy: -48.768 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: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -656.672109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.672109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.672109 (E_RNA) where: Base-Base interactions energy: -352.192 where: short stacking energy: -191.748 Base-Backbone interact. energy: 1.109 local terms energy: -305.588861 where: bonds (distance) C4'-P energy: -86.258 bonds (distance) P-C4' energy: -92.952 flat angles C4'-P-C4' energy: -74.318 flat angles P-C4'-P energy: -46.594 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -552.237767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.237767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.237767 (E_RNA) where: Base-Base interactions energy: -276.882 where: short stacking energy: -153.703 Base-Backbone interact. energy: -1.419 local terms energy: -273.936865 where: bonds (distance) C4'-P energy: -78.526 bonds (distance) P-C4' energy: -80.047 flat angles C4'-P-C4' energy: -74.474 flat angles P-C4'-P energy: -33.680 tors. eta vs tors. theta energy: -7.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -413.252805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.252805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.252805 (E_RNA) where: Base-Base interactions energy: -148.036 where: short stacking energy: -115.021 Base-Backbone interact. energy: 1.886 local terms energy: -267.102658 where: bonds (distance) C4'-P energy: -85.083 bonds (distance) P-C4' energy: -90.941 flat angles C4'-P-C4' energy: -72.553 flat angles P-C4'-P energy: -40.446 tors. eta vs tors. theta energy: 21.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1525.530303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.530303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.530303 (E_RNA) where: Base-Base interactions energy: -1025.422 where: short stacking energy: -461.229 Base-Backbone interact. energy: -5.193 local terms energy: -494.914927 where: bonds (distance) C4'-P energy: -96.219 bonds (distance) P-C4' energy: -98.598 flat angles C4'-P-C4' energy: -99.473 flat angles P-C4'-P energy: -61.784 tors. eta vs tors. theta energy: -138.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1504.807498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.807498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.807498 (E_RNA) where: Base-Base interactions energy: -1010.814 where: short stacking energy: -443.372 Base-Backbone interact. energy: -3.533 local terms energy: -490.459923 where: bonds (distance) C4'-P energy: -94.123 bonds (distance) P-C4' energy: -83.029 flat angles C4'-P-C4' energy: -100.434 flat angles P-C4'-P energy: -76.615 tors. eta vs tors. theta energy: -136.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1369.787232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.787232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.787232 (E_RNA) where: Base-Base interactions energy: -886.991 where: short stacking energy: -436.227 Base-Backbone interact. energy: -0.954 local terms energy: -481.842580 where: bonds (distance) C4'-P energy: -91.036 bonds (distance) P-C4' energy: -81.198 flat angles C4'-P-C4' energy: -107.977 flat angles P-C4'-P energy: -71.743 tors. eta vs tors. theta energy: -129.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1247.570291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.570291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.570291 (E_RNA) where: Base-Base interactions energy: -802.750 where: short stacking energy: -369.803 Base-Backbone interact. energy: -1.742 local terms energy: -443.078726 where: bonds (distance) C4'-P energy: -96.126 bonds (distance) P-C4' energy: -80.803 flat angles C4'-P-C4' energy: -96.852 flat angles P-C4'-P energy: -66.437 tors. eta vs tors. theta energy: -102.861 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: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1074.420382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.420382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.420382 (E_RNA) where: Base-Base interactions energy: -680.037 where: short stacking energy: -301.456 Base-Backbone interact. energy: -1.515 local terms energy: -392.868277 where: bonds (distance) C4'-P energy: -92.181 bonds (distance) P-C4' energy: -80.872 flat angles C4'-P-C4' energy: -84.728 flat angles P-C4'-P energy: -62.848 tors. eta vs tors. theta energy: -72.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -899.464264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.464264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.464264 (E_RNA) where: Base-Base interactions energy: -490.368 where: short stacking energy: -265.012 Base-Backbone interact. energy: 3.360 local terms energy: -412.455949 where: bonds (distance) C4'-P energy: -102.367 bonds (distance) P-C4' energy: -92.515 flat angles C4'-P-C4' energy: -95.909 flat angles P-C4'-P energy: -63.207 tors. eta vs tors. theta energy: -58.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -792.885530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.885530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.885530 (E_RNA) where: Base-Base interactions energy: -441.306 where: short stacking energy: -237.412 Base-Backbone interact. energy: -3.018 local terms energy: -348.561561 where: bonds (distance) C4'-P energy: -75.643 bonds (distance) P-C4' energy: -91.347 flat angles C4'-P-C4' energy: -83.470 flat angles P-C4'-P energy: -56.304 tors. eta vs tors. theta energy: -41.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -658.205704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.205704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.205704 (E_RNA) where: Base-Base interactions energy: -323.501 where: short stacking energy: -195.411 Base-Backbone interact. energy: 0.917 local terms energy: -335.621360 where: bonds (distance) C4'-P energy: -87.401 bonds (distance) P-C4' energy: -79.177 flat angles C4'-P-C4' energy: -82.919 flat angles P-C4'-P energy: -52.302 tors. eta vs tors. theta energy: -33.822 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: 303 Temperature: 1.300000 Total energy: -540.056807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.056807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.056807 (E_RNA) where: Base-Base interactions energy: -262.890 where: short stacking energy: -160.178 Base-Backbone interact. energy: 0.639 local terms energy: -277.805095 where: bonds (distance) C4'-P energy: -82.765 bonds (distance) P-C4' energy: -82.060 flat angles C4'-P-C4' energy: -71.400 flat angles P-C4'-P energy: -40.067 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -409.901312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.901312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.901312 (E_RNA) where: Base-Base interactions energy: -162.544 where: short stacking energy: -121.590 Base-Backbone interact. energy: 1.900 local terms energy: -249.257201 where: bonds (distance) C4'-P energy: -78.421 bonds (distance) P-C4' energy: -80.485 flat angles C4'-P-C4' energy: -56.844 flat angles P-C4'-P energy: -38.816 tors. eta vs tors. theta energy: 5.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1502.676272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.676272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.676272 (E_RNA) where: Base-Base interactions energy: -1034.359 where: short stacking energy: -426.290 Base-Backbone interact. energy: -3.419 local terms energy: -464.898073 where: bonds (distance) C4'-P energy: -82.339 bonds (distance) P-C4' energy: -103.272 flat angles C4'-P-C4' energy: -93.015 flat angles P-C4'-P energy: -66.015 tors. eta vs tors. theta energy: -120.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1453.957801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.957801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.957801 (E_RNA) where: Base-Base interactions energy: -977.518 where: short stacking energy: -435.182 Base-Backbone interact. energy: -3.546 local terms energy: -472.894448 where: bonds (distance) C4'-P energy: -87.479 bonds (distance) P-C4' energy: -82.415 flat angles C4'-P-C4' energy: -101.539 flat angles P-C4'-P energy: -79.655 tors. eta vs tors. theta energy: -121.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1394.090738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.090738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.090738 (E_RNA) where: Base-Base interactions energy: -900.642 where: short stacking energy: -429.790 Base-Backbone interact. energy: -1.610 local terms energy: -491.839355 where: bonds (distance) C4'-P energy: -95.099 bonds (distance) P-C4' energy: -95.457 flat angles C4'-P-C4' energy: -101.695 flat angles P-C4'-P energy: -74.430 tors. eta vs tors. theta energy: -125.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1284.999514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.999514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.999514 (E_RNA) where: Base-Base interactions energy: -825.971 where: short stacking energy: -405.473 Base-Backbone interact. energy: -1.548 local terms energy: -457.481194 where: bonds (distance) C4'-P energy: -85.439 bonds (distance) P-C4' energy: -96.644 flat angles C4'-P-C4' energy: -100.959 flat angles P-C4'-P energy: -63.251 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: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1116.553260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.553260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.553260 (E_RNA) where: Base-Base interactions energy: -715.446 where: short stacking energy: -336.543 Base-Backbone interact. energy: -1.210 local terms energy: -399.897902 where: bonds (distance) C4'-P energy: -84.440 bonds (distance) P-C4' energy: -83.055 flat angles C4'-P-C4' energy: -93.217 flat angles P-C4'-P energy: -59.932 tors. eta vs tors. theta energy: -79.254 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: 3 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -894.693522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.693522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.693522 (E_RNA) where: Base-Base interactions energy: -518.083 where: short stacking energy: -273.837 Base-Backbone interact. energy: -0.003 local terms energy: -376.607415 where: bonds (distance) C4'-P energy: -91.545 bonds (distance) P-C4' energy: -85.815 flat angles C4'-P-C4' energy: -84.866 flat angles P-C4'-P energy: -44.955 tors. eta vs tors. theta energy: -69.426 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: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -774.383560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.383560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.383560 (E_RNA) where: Base-Base interactions energy: -467.311 where: short stacking energy: -243.062 Base-Backbone interact. energy: -2.928 local terms energy: -304.144442 where: bonds (distance) C4'-P energy: -62.241 bonds (distance) P-C4' energy: -87.143 flat angles C4'-P-C4' energy: -66.749 flat angles P-C4'-P energy: -47.997 tors. eta vs tors. theta energy: -40.014 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: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -647.013977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.013977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.013977 (E_RNA) where: Base-Base interactions energy: -346.504 where: short stacking energy: -169.601 Base-Backbone interact. energy: -1.949 local terms energy: -298.561202 where: bonds (distance) C4'-P energy: -81.818 bonds (distance) P-C4' energy: -79.860 flat angles C4'-P-C4' energy: -67.884 flat angles P-C4'-P energy: -42.116 tors. eta vs tors. theta energy: -26.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -478.392512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.392512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.392512 (E_RNA) where: Base-Base interactions energy: -221.090 where: short stacking energy: -145.605 Base-Backbone interact. energy: -0.138 local terms energy: -257.164332 where: bonds (distance) C4'-P energy: -77.144 bonds (distance) P-C4' energy: -68.856 flat angles C4'-P-C4' energy: -49.589 flat angles P-C4'-P energy: -59.006 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -391.274575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.274575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.274575 (E_RNA) where: Base-Base interactions energy: -128.297 where: short stacking energy: -87.283 Base-Backbone interact. energy: 0.661 local terms energy: -263.638273 where: bonds (distance) C4'-P energy: -99.822 bonds (distance) P-C4' energy: -83.776 flat angles C4'-P-C4' energy: -65.759 flat angles P-C4'-P energy: -42.559 tors. eta vs tors. theta energy: 28.279 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: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1535.006481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.006481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.006481 (E_RNA) where: Base-Base interactions energy: -1046.507 where: short stacking energy: -463.218 Base-Backbone interact. energy: -4.716 local terms energy: -483.782867 where: bonds (distance) C4'-P energy: -92.660 bonds (distance) P-C4' energy: -98.008 flat angles C4'-P-C4' energy: -96.977 flat angles P-C4'-P energy: -66.353 tors. eta vs tors. theta energy: -129.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1478.812019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.812019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.812019 (E_RNA) where: Base-Base interactions energy: -1001.797 where: short stacking energy: -444.959 Base-Backbone interact. energy: -2.242 local terms energy: -474.773471 where: bonds (distance) C4'-P energy: -90.702 bonds (distance) P-C4' energy: -90.649 flat angles C4'-P-C4' energy: -107.225 flat angles P-C4'-P energy: -59.789 tors. eta vs tors. theta energy: -126.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1385.508340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.508340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.508340 (E_RNA) where: Base-Base interactions energy: -919.953 where: short stacking energy: -426.051 Base-Backbone interact. energy: -1.712 local terms energy: -463.842730 where: bonds (distance) C4'-P energy: -90.585 bonds (distance) P-C4' energy: -83.079 flat angles C4'-P-C4' energy: -101.970 flat angles P-C4'-P energy: -61.697 tors. eta vs tors. theta energy: -126.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1244.062209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.062209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.062209 (E_RNA) where: Base-Base interactions energy: -805.094 where: short stacking energy: -371.853 Base-Backbone interact. energy: -0.343 local terms energy: -438.624642 where: bonds (distance) C4'-P energy: -88.027 bonds (distance) P-C4' energy: -95.953 flat angles C4'-P-C4' energy: -95.703 flat angles P-C4'-P energy: -62.184 tors. eta vs tors. theta energy: -96.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1080.377953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.377953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.377953 (E_RNA) where: Base-Base interactions energy: -680.596 where: short stacking energy: -318.656 Base-Backbone interact. energy: -2.293 local terms energy: -397.489368 where: bonds (distance) C4'-P energy: -84.369 bonds (distance) P-C4' energy: -88.169 flat angles C4'-P-C4' energy: -89.163 flat angles P-C4'-P energy: -62.284 tors. eta vs tors. theta energy: -73.505 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: 6, replica: 3 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -889.263565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.263565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.263565 (E_RNA) where: Base-Base interactions energy: -536.673 where: short stacking energy: -270.752 Base-Backbone interact. energy: 0.078 local terms energy: -352.669170 where: bonds (distance) C4'-P energy: -79.087 bonds (distance) P-C4' energy: -83.163 flat angles C4'-P-C4' energy: -86.499 flat angles P-C4'-P energy: -50.236 tors. eta vs tors. theta energy: -53.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -745.460112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.460112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.460112 (E_RNA) where: Base-Base interactions energy: -396.888 where: short stacking energy: -220.370 Base-Backbone interact. energy: -1.009 local terms energy: -347.563785 where: bonds (distance) C4'-P energy: -87.047 bonds (distance) P-C4' energy: -90.506 flat angles C4'-P-C4' energy: -74.602 flat angles P-C4'-P energy: -54.729 tors. eta vs tors. theta energy: -40.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -674.890787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.890787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.890787 (E_RNA) where: Base-Base interactions energy: -364.529 where: short stacking energy: -193.726 Base-Backbone interact. energy: -1.075 local terms energy: -309.286003 where: bonds (distance) C4'-P energy: -78.744 bonds (distance) P-C4' energy: -94.159 flat angles C4'-P-C4' energy: -84.675 flat angles P-C4'-P energy: -40.100 tors. eta vs tors. theta energy: -11.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -502.575652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.575652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.575652 (E_RNA) where: Base-Base interactions energy: -221.772 where: short stacking energy: -145.160 Base-Backbone interact. energy: -2.800 local terms energy: -278.003684 where: bonds (distance) C4'-P energy: -72.331 bonds (distance) P-C4' energy: -88.391 flat angles C4'-P-C4' energy: -59.713 flat angles P-C4'-P energy: -49.276 tors. eta vs tors. theta energy: -8.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -374.955157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.955157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.955157 (E_RNA) where: Base-Base interactions energy: -127.371 where: short stacking energy: -113.045 Base-Backbone interact. energy: 0.216 local terms energy: -247.800258 where: bonds (distance) C4'-P energy: -66.690 bonds (distance) P-C4' energy: -77.235 flat angles C4'-P-C4' energy: -70.508 flat angles P-C4'-P energy: -37.530 tors. eta vs tors. theta energy: 4.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1546.164986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.164986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.164986 (E_RNA) where: Base-Base interactions energy: -1049.510 where: short stacking energy: -469.628 Base-Backbone interact. energy: -6.087 local terms energy: -490.567724 where: bonds (distance) C4'-P energy: -94.714 bonds (distance) P-C4' energy: -98.128 flat angles C4'-P-C4' energy: -96.144 flat angles P-C4'-P energy: -65.288 tors. eta vs tors. theta energy: -136.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1495.692027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.692027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.692027 (E_RNA) where: Base-Base interactions energy: -996.174 where: short stacking energy: -452.143 Base-Backbone interact. energy: -0.721 local terms energy: -498.797768 where: bonds (distance) C4'-P energy: -94.193 bonds (distance) P-C4' energy: -92.840 flat angles C4'-P-C4' energy: -103.437 flat angles P-C4'-P energy: -74.978 tors. eta vs tors. theta energy: -133.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1387.160050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.160050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.160050 (E_RNA) where: Base-Base interactions energy: -907.230 where: short stacking energy: -408.061 Base-Backbone interact. energy: 0.795 local terms energy: -480.725017 where: bonds (distance) C4'-P energy: -86.208 bonds (distance) P-C4' energy: -103.958 flat angles C4'-P-C4' energy: -104.118 flat angles P-C4'-P energy: -60.463 tors. eta vs tors. theta energy: -125.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1211.546119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.546119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.546119 (E_RNA) where: Base-Base interactions energy: -773.801 where: short stacking energy: -354.917 Base-Backbone interact. energy: -2.337 local terms energy: -435.408519 where: bonds (distance) C4'-P energy: -87.969 bonds (distance) P-C4' energy: -75.251 flat angles C4'-P-C4' energy: -99.052 flat angles P-C4'-P energy: -61.707 tors. eta vs tors. theta energy: -111.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1063.409024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.409024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.409024 (E_RNA) where: Base-Base interactions energy: -686.306 where: short stacking energy: -326.682 Base-Backbone interact. energy: 3.551 local terms energy: -380.654489 where: bonds (distance) C4'-P energy: -78.818 bonds (distance) P-C4' energy: -96.658 flat angles C4'-P-C4' energy: -82.511 flat angles P-C4'-P energy: -46.557 tors. eta vs tors. theta energy: -76.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -910.653151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.653151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.653151 (E_RNA) where: Base-Base interactions energy: -542.474 where: short stacking energy: -265.497 Base-Backbone interact. energy: -1.894 local terms energy: -366.285303 where: bonds (distance) C4'-P energy: -80.181 bonds (distance) P-C4' energy: -94.249 flat angles C4'-P-C4' energy: -75.819 flat angles P-C4'-P energy: -58.322 tors. eta vs tors. theta energy: -57.713 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: 7 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -673.512584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.512584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.512584 (E_RNA) where: Base-Base interactions energy: -367.804 where: short stacking energy: -189.091 Base-Backbone interact. energy: -1.514 local terms energy: -304.193831 where: bonds (distance) C4'-P energy: -69.782 bonds (distance) P-C4' energy: -96.953 flat angles C4'-P-C4' energy: -74.552 flat angles P-C4'-P energy: -40.463 tors. eta vs tors. theta energy: -22.444 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: 8, replica: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -670.418670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.418670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.418670 (E_RNA) where: Base-Base interactions energy: -364.474 where: short stacking energy: -186.339 Base-Backbone interact. energy: 1.235 local terms energy: -307.179565 where: bonds (distance) C4'-P energy: -84.320 bonds (distance) P-C4' energy: -73.690 flat angles C4'-P-C4' energy: -82.782 flat angles P-C4'-P energy: -42.218 tors. eta vs tors. theta energy: -24.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -506.228845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.228845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.228845 (E_RNA) where: Base-Base interactions energy: -255.788 where: short stacking energy: -151.412 Base-Backbone interact. energy: 0.153 local terms energy: -250.594304 where: bonds (distance) C4'-P energy: -85.572 bonds (distance) P-C4' energy: -86.321 flat angles C4'-P-C4' energy: -57.810 flat angles P-C4'-P energy: -24.297 tors. eta vs tors. theta energy: 3.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -362.208811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.208811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.208811 (E_RNA) where: Base-Base interactions energy: -115.534 where: short stacking energy: -95.788 Base-Backbone interact. energy: 1.106 local terms energy: -247.780531 where: bonds (distance) C4'-P energy: -72.975 bonds (distance) P-C4' energy: -93.300 flat angles C4'-P-C4' energy: -69.261 flat angles P-C4'-P energy: -44.773 tors. eta vs tors. theta energy: 32.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1555.631273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.631273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.631273 (E_RNA) where: Base-Base interactions energy: -1051.302 where: short stacking energy: -435.145 Base-Backbone interact. energy: -4.751 local terms energy: -499.578193 where: bonds (distance) C4'-P energy: -96.711 bonds (distance) P-C4' energy: -96.905 flat angles C4'-P-C4' energy: -109.064 flat angles P-C4'-P energy: -73.043 tors. eta vs tors. theta energy: -123.856 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: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1483.979142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.979142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.979142 (E_RNA) where: Base-Base interactions energy: -992.677 where: short stacking energy: -454.896 Base-Backbone interact. energy: -3.567 local terms energy: -487.735898 where: bonds (distance) C4'-P energy: -94.653 bonds (distance) P-C4' energy: -94.529 flat angles C4'-P-C4' energy: -100.987 flat angles P-C4'-P energy: -63.148 tors. eta vs tors. theta energy: -134.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1355.220257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.220257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.220257 (E_RNA) where: Base-Base interactions energy: -873.989 where: short stacking energy: -388.515 Base-Backbone interact. energy: -0.476 local terms energy: -480.754778 where: bonds (distance) C4'-P energy: -102.211 bonds (distance) P-C4' energy: -90.522 flat angles C4'-P-C4' energy: -95.730 flat angles P-C4'-P energy: -72.176 tors. eta vs tors. theta energy: -120.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1198.768766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.768766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.768766 (E_RNA) where: Base-Base interactions energy: -763.683 where: short stacking energy: -371.869 Base-Backbone interact. energy: -0.807 local terms energy: -434.279138 where: bonds (distance) C4'-P energy: -79.716 bonds (distance) P-C4' energy: -99.595 flat angles C4'-P-C4' energy: -89.861 flat angles P-C4'-P energy: -62.901 tors. eta vs tors. theta energy: -102.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1049.310809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.310809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.310809 (E_RNA) where: Base-Base interactions energy: -637.575 where: short stacking energy: -315.125 Base-Backbone interact. energy: -1.397 local terms energy: -410.338502 where: bonds (distance) C4'-P energy: -82.076 bonds (distance) P-C4' energy: -97.984 flat angles C4'-P-C4' energy: -89.507 flat angles P-C4'-P energy: -58.350 tors. eta vs tors. theta energy: -82.421 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: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -902.748362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.748362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.748362 (E_RNA) where: Base-Base interactions energy: -542.347 where: short stacking energy: -279.085 Base-Backbone interact. energy: -0.535 local terms energy: -359.866247 where: bonds (distance) C4'-P energy: -80.453 bonds (distance) P-C4' energy: -87.074 flat angles C4'-P-C4' energy: -82.314 flat angles P-C4'-P energy: -56.767 tors. eta vs tors. theta energy: -53.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -716.818131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.818131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.818131 (E_RNA) where: Base-Base interactions energy: -393.963 where: short stacking energy: -220.942 Base-Backbone interact. energy: -1.419 local terms energy: -321.436998 where: bonds (distance) C4'-P energy: -72.477 bonds (distance) P-C4' energy: -83.158 flat angles C4'-P-C4' energy: -73.339 flat angles P-C4'-P energy: -65.315 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: 8, replica: 1 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -713.135402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.135402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.135402 (E_RNA) where: Base-Base interactions energy: -392.461 where: short stacking energy: -214.828 Base-Backbone interact. energy: 0.934 local terms energy: -321.609013 where: bonds (distance) C4'-P energy: -79.842 bonds (distance) P-C4' energy: -87.405 flat angles C4'-P-C4' energy: -73.754 flat angles P-C4'-P energy: -53.144 tors. eta vs tors. theta energy: -27.463 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: 307 Temperature: 1.300000 Total energy: -439.809375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.809375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.809375 (E_RNA) where: Base-Base interactions energy: -183.542 where: short stacking energy: -109.977 Base-Backbone interact. energy: -0.443 local terms energy: -255.824678 where: bonds (distance) C4'-P energy: -67.453 bonds (distance) P-C4' energy: -84.066 flat angles C4'-P-C4' energy: -61.909 flat angles P-C4'-P energy: -54.759 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: 5 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -390.252152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.252152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.252152 (E_RNA) where: Base-Base interactions energy: -142.381 where: short stacking energy: -109.304 Base-Backbone interact. energy: -1.956 local terms energy: -245.914660 where: bonds (distance) C4'-P energy: -61.480 bonds (distance) P-C4' energy: -74.433 flat angles C4'-P-C4' energy: -76.812 flat angles P-C4'-P energy: -42.845 tors. eta vs tors. theta energy: 9.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1549.333224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.333224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.333224 (E_RNA) where: Base-Base interactions energy: -1056.462 where: short stacking energy: -451.929 Base-Backbone interact. energy: -3.800 local terms energy: -489.071638 where: bonds (distance) C4'-P energy: -91.028 bonds (distance) P-C4' energy: -93.560 flat angles C4'-P-C4' energy: -105.304 flat angles P-C4'-P energy: -67.531 tors. eta vs tors. theta energy: -131.648 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: 8 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1472.206858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.206858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.206858 (E_RNA) where: Base-Base interactions energy: -997.863 where: short stacking energy: -433.026 Base-Backbone interact. energy: -3.428 local terms energy: -470.915292 where: bonds (distance) C4'-P energy: -94.904 bonds (distance) P-C4' energy: -98.828 flat angles C4'-P-C4' energy: -101.615 flat angles P-C4'-P energy: -52.026 tors. eta vs tors. theta energy: -123.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1388.753811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.753811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.753811 (E_RNA) where: Base-Base interactions energy: -913.805 where: short stacking energy: -425.824 Base-Backbone interact. energy: 0.914 local terms energy: -475.862533 where: bonds (distance) C4'-P energy: -84.063 bonds (distance) P-C4' energy: -97.892 flat angles C4'-P-C4' energy: -94.248 flat angles P-C4'-P energy: -73.576 tors. eta vs tors. theta energy: -126.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1164.331251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.331251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.331251 (E_RNA) where: Base-Base interactions energy: -747.617 where: short stacking energy: -374.116 Base-Backbone interact. energy: 1.838 local terms energy: -418.552219 where: bonds (distance) C4'-P energy: -82.554 bonds (distance) P-C4' energy: -75.450 flat angles C4'-P-C4' energy: -98.220 flat angles P-C4'-P energy: -55.460 tors. eta vs tors. theta energy: -106.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1121.981759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.981759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.981759 (E_RNA) where: Base-Base interactions energy: -720.020 where: short stacking energy: -319.349 Base-Backbone interact. energy: -2.186 local terms energy: -399.776398 where: bonds (distance) C4'-P energy: -93.725 bonds (distance) P-C4' energy: -75.451 flat angles C4'-P-C4' energy: -89.236 flat angles P-C4'-P energy: -61.938 tors. eta vs tors. theta energy: -79.426 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: 3 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -884.841017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.841017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.841017 (E_RNA) where: Base-Base interactions energy: -535.732 where: short stacking energy: -264.444 Base-Backbone interact. energy: 0.671 local terms energy: -349.779577 where: bonds (distance) C4'-P energy: -74.648 bonds (distance) P-C4' energy: -84.334 flat angles C4'-P-C4' energy: -84.198 flat angles P-C4'-P energy: -62.028 tors. eta vs tors. theta energy: -44.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -705.534785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.534785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.534785 (E_RNA) where: Base-Base interactions energy: -366.778 where: short stacking energy: -206.308 Base-Backbone interact. energy: -2.840 local terms energy: -335.916188 where: bonds (distance) C4'-P energy: -83.249 bonds (distance) P-C4' energy: -89.691 flat angles C4'-P-C4' energy: -69.140 flat angles P-C4'-P energy: -57.955 tors. eta vs tors. theta energy: -35.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -614.068658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.068658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.068658 (E_RNA) where: Base-Base interactions energy: -311.246 where: short stacking energy: -177.499 Base-Backbone interact. energy: -1.761 local terms energy: -301.061052 where: bonds (distance) C4'-P energy: -68.162 bonds (distance) P-C4' energy: -83.946 flat angles C4'-P-C4' energy: -78.708 flat angles P-C4'-P energy: -47.051 tors. eta vs tors. theta energy: -23.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -453.342713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.342713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.342713 (E_RNA) where: Base-Base interactions energy: -157.667 where: short stacking energy: -108.795 Base-Backbone interact. energy: 1.656 local terms energy: -297.332352 where: bonds (distance) C4'-P energy: -89.606 bonds (distance) P-C4' energy: -89.304 flat angles C4'-P-C4' energy: -71.165 flat angles P-C4'-P energy: -48.884 tors. eta vs tors. theta energy: 1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -379.790932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.790932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.790932 (E_RNA) where: Base-Base interactions energy: -127.521 where: short stacking energy: -106.241 Base-Backbone interact. energy: 1.197 local terms energy: -253.466956 where: bonds (distance) C4'-P energy: -85.754 bonds (distance) P-C4' energy: -83.012 flat angles C4'-P-C4' energy: -66.739 flat angles P-C4'-P energy: -31.605 tors. eta vs tors. theta energy: 13.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1541.097324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.097324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.097324 (E_RNA) where: Base-Base interactions energy: -1035.905 where: short stacking energy: -442.190 Base-Backbone interact. energy: -6.349 local terms energy: -498.842824 where: bonds (distance) C4'-P energy: -100.873 bonds (distance) P-C4' energy: -94.842 flat angles C4'-P-C4' energy: -103.456 flat angles P-C4'-P energy: -69.625 tors. eta vs tors. theta energy: -130.047 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: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1461.042130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.042130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.042130 (E_RNA) where: Base-Base interactions energy: -973.372 where: short stacking energy: -424.427 Base-Backbone interact. energy: 3.545 local terms energy: -491.215351 where: bonds (distance) C4'-P energy: -89.025 bonds (distance) P-C4' energy: -105.007 flat angles C4'-P-C4' energy: -110.104 flat angles P-C4'-P energy: -60.088 tors. eta vs tors. theta energy: -126.991 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: 4 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1350.122667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.122667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.122667 (E_RNA) where: Base-Base interactions energy: -891.015 where: short stacking energy: -406.145 Base-Backbone interact. energy: -0.315 local terms energy: -458.792306 where: bonds (distance) C4'-P energy: -83.299 bonds (distance) P-C4' energy: -90.846 flat angles C4'-P-C4' energy: -97.019 flat angles P-C4'-P energy: -71.392 tors. eta vs tors. theta energy: -116.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1209.385193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.385193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.385193 (E_RNA) where: Base-Base interactions energy: -756.107 where: short stacking energy: -376.802 Base-Backbone interact. energy: -0.145 local terms energy: -453.133246 where: bonds (distance) C4'-P energy: -84.803 bonds (distance) P-C4' energy: -98.763 flat angles C4'-P-C4' energy: -98.285 flat angles P-C4'-P energy: -63.026 tors. eta vs tors. theta energy: -108.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1130.411415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.411415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.411415 (E_RNA) where: Base-Base interactions energy: -710.406 where: short stacking energy: -343.341 Base-Backbone interact. energy: 0.268 local terms energy: -420.272943 where: bonds (distance) C4'-P energy: -86.002 bonds (distance) P-C4' energy: -89.032 flat angles C4'-P-C4' energy: -100.779 flat angles P-C4'-P energy: -51.413 tors. eta vs tors. theta energy: -93.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -878.747418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.747418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.747418 (E_RNA) where: Base-Base interactions energy: -496.671 where: short stacking energy: -262.304 Base-Backbone interact. energy: 5.150 local terms energy: -387.226467 where: bonds (distance) C4'-P energy: -90.885 bonds (distance) P-C4' energy: -88.077 flat angles C4'-P-C4' energy: -99.312 flat angles P-C4'-P energy: -51.307 tors. eta vs tors. theta energy: -57.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -656.178908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.178908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.178908 (E_RNA) where: Base-Base interactions energy: -349.740 where: short stacking energy: -201.467 Base-Backbone interact. energy: 0.497 local terms energy: -306.935882 where: bonds (distance) C4'-P energy: -74.544 bonds (distance) P-C4' energy: -86.283 flat angles C4'-P-C4' energy: -83.310 flat angles P-C4'-P energy: -40.869 tors. eta vs tors. theta energy: -21.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -595.033502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.033502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.033502 (E_RNA) where: Base-Base interactions energy: -289.282 where: short stacking energy: -168.040 Base-Backbone interact. energy: 0.661 local terms energy: -306.411986 where: bonds (distance) C4'-P energy: -72.336 bonds (distance) P-C4' energy: -92.517 flat angles C4'-P-C4' energy: -92.518 flat angles P-C4'-P energy: -41.888 tors. eta vs tors. theta energy: -7.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -478.866683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.866683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.866683 (E_RNA) where: Base-Base interactions energy: -195.620 where: short stacking energy: -119.643 Base-Backbone interact. energy: 2.331 local terms energy: -285.577243 where: bonds (distance) C4'-P energy: -78.942 bonds (distance) P-C4' energy: -91.231 flat angles C4'-P-C4' energy: -80.975 flat angles P-C4'-P energy: -37.407 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: 10, replica: 5 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -365.147464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.147464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.147464 (E_RNA) where: Base-Base interactions energy: -126.857 where: short stacking energy: -121.095 Base-Backbone interact. energy: -0.970 local terms energy: -237.321115 where: bonds (distance) C4'-P energy: -83.420 bonds (distance) P-C4' energy: -100.077 flat angles C4'-P-C4' energy: -49.152 flat angles P-C4'-P energy: -20.287 tors. eta vs tors. theta energy: 15.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1527.982042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.982042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.982042 (E_RNA) where: Base-Base interactions energy: -1033.287 where: short stacking energy: -447.683 Base-Backbone interact. energy: -5.374 local terms energy: -489.321583 where: bonds (distance) C4'-P energy: -95.303 bonds (distance) P-C4' energy: -93.086 flat angles C4'-P-C4' energy: -101.625 flat angles P-C4'-P energy: -67.386 tors. eta vs tors. theta energy: -131.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1488.401865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.401865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.401865 (E_RNA) where: Base-Base interactions energy: -1032.645 where: short stacking energy: -439.508 Base-Backbone interact. energy: 0.402 local terms energy: -456.159686 where: bonds (distance) C4'-P energy: -90.865 bonds (distance) P-C4' energy: -83.460 flat angles C4'-P-C4' energy: -105.072 flat angles P-C4'-P energy: -53.806 tors. eta vs tors. theta energy: -122.957 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: 4 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1363.300401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.300401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.300401 (E_RNA) where: Base-Base interactions energy: -909.795 where: short stacking energy: -417.535 Base-Backbone interact. energy: -1.188 local terms energy: -452.317190 where: bonds (distance) C4'-P energy: -87.857 bonds (distance) P-C4' energy: -89.774 flat angles C4'-P-C4' energy: -100.860 flat angles P-C4'-P energy: -61.000 tors. eta vs tors. theta energy: -112.826 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: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1178.151155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.151155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.151155 (E_RNA) where: Base-Base interactions energy: -757.451 where: short stacking energy: -349.810 Base-Backbone interact. energy: 0.995 local terms energy: -421.695595 where: bonds (distance) C4'-P energy: -87.877 bonds (distance) P-C4' energy: -88.057 flat angles C4'-P-C4' energy: -101.938 flat angles P-C4'-P energy: -56.590 tors. eta vs tors. theta energy: -87.233 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: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1188.216525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.216525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.216525 (E_RNA) where: Base-Base interactions energy: -764.657 where: short stacking energy: -344.888 Base-Backbone interact. energy: -1.744 local terms energy: -421.815681 where: bonds (distance) C4'-P energy: -93.295 bonds (distance) P-C4' energy: -91.602 flat angles C4'-P-C4' energy: -88.076 flat angles P-C4'-P energy: -54.862 tors. eta vs tors. theta energy: -93.981 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: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -940.546903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.546903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.546903 (E_RNA) where: Base-Base interactions energy: -557.006 where: short stacking energy: -264.411 Base-Backbone interact. energy: -1.501 local terms energy: -382.039813 where: bonds (distance) C4'-P energy: -90.774 bonds (distance) P-C4' energy: -93.455 flat angles C4'-P-C4' energy: -87.832 flat angles P-C4'-P energy: -56.089 tors. eta vs tors. theta energy: -53.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -651.201980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.201980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.201980 (E_RNA) where: Base-Base interactions energy: -314.502 where: short stacking energy: -208.636 Base-Backbone interact. energy: 1.034 local terms energy: -337.734538 where: bonds (distance) C4'-P energy: -89.762 bonds (distance) P-C4' energy: -88.883 flat angles C4'-P-C4' energy: -76.659 flat angles P-C4'-P energy: -56.336 tors. eta vs tors. theta energy: -26.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -589.288386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.288386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.288386 (E_RNA) where: Base-Base interactions energy: -283.464 where: short stacking energy: -158.151 Base-Backbone interact. energy: 0.557 local terms energy: -306.381300 where: bonds (distance) C4'-P energy: -89.221 bonds (distance) P-C4' energy: -80.168 flat angles C4'-P-C4' energy: -68.960 flat angles P-C4'-P energy: -61.310 tors. eta vs tors. theta energy: -6.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -515.169044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.169044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.169044 (E_RNA) where: Base-Base interactions energy: -255.398 where: short stacking energy: -145.120 Base-Backbone interact. energy: 0.843 local terms energy: -260.614374 where: bonds (distance) C4'-P energy: -69.298 bonds (distance) P-C4' energy: -86.057 flat angles C4'-P-C4' energy: -73.532 flat angles P-C4'-P energy: -40.138 tors. eta vs tors. theta energy: 8.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -395.397269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.397269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.397269 (E_RNA) where: Base-Base interactions energy: -134.871 where: short stacking energy: -92.534 Base-Backbone interact. energy: -2.242 local terms energy: -258.285052 where: bonds (distance) C4'-P energy: -74.918 bonds (distance) P-C4' energy: -85.911 flat angles C4'-P-C4' energy: -75.411 flat angles P-C4'-P energy: -52.624 tors. eta vs tors. theta energy: 30.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1560.847755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.847755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.847755 (E_RNA) where: Base-Base interactions energy: -1047.699 where: short stacking energy: -445.184 Base-Backbone interact. energy: -3.995 local terms energy: -509.154152 where: bonds (distance) C4'-P energy: -100.612 bonds (distance) P-C4' energy: -95.014 flat angles C4'-P-C4' energy: -107.227 flat angles P-C4'-P energy: -75.245 tors. eta vs tors. theta energy: -131.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1461.070011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.070011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.070011 (E_RNA) where: Base-Base interactions energy: -983.079 where: short stacking energy: -409.450 Base-Backbone interact. energy: 0.385 local terms energy: -478.376540 where: bonds (distance) C4'-P energy: -96.228 bonds (distance) P-C4' energy: -89.331 flat angles C4'-P-C4' energy: -94.519 flat angles P-C4'-P energy: -73.449 tors. eta vs tors. theta energy: -124.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1390.553532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.553532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.553532 (E_RNA) where: Base-Base interactions energy: -917.095 where: short stacking energy: -420.026 Base-Backbone interact. energy: 3.863 local terms energy: -477.321583 where: bonds (distance) C4'-P energy: -85.432 bonds (distance) P-C4' energy: -96.725 flat angles C4'-P-C4' energy: -102.805 flat angles P-C4'-P energy: -67.959 tors. eta vs tors. theta energy: -124.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1169.068763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.068763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.068763 (E_RNA) where: Base-Base interactions energy: -727.625 where: short stacking energy: -364.608 Base-Backbone interact. energy: -2.198 local terms energy: -439.245878 where: bonds (distance) C4'-P energy: -97.121 bonds (distance) P-C4' energy: -91.102 flat angles C4'-P-C4' energy: -99.914 flat angles P-C4'-P energy: -66.784 tors. eta vs tors. theta energy: -84.327 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: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1140.740470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.740470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.740470 (E_RNA) where: Base-Base interactions energy: -691.009 where: short stacking energy: -323.358 Base-Backbone interact. energy: -0.594 local terms energy: -449.138005 where: bonds (distance) C4'-P energy: -87.139 bonds (distance) P-C4' energy: -95.411 flat angles C4'-P-C4' energy: -98.104 flat angles P-C4'-P energy: -66.157 tors. eta vs tors. theta energy: -102.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -910.553326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.553326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.553326 (E_RNA) where: Base-Base interactions energy: -538.023 where: short stacking energy: -279.871 Base-Backbone interact. energy: -0.873 local terms energy: -371.657643 where: bonds (distance) C4'-P energy: -73.699 bonds (distance) P-C4' energy: -89.706 flat angles C4'-P-C4' energy: -97.613 flat angles P-C4'-P energy: -46.879 tors. eta vs tors. theta energy: -63.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -662.787007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.787007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.787007 (E_RNA) where: Base-Base interactions energy: -340.658 where: short stacking energy: -200.926 Base-Backbone interact. energy: -0.114 local terms energy: -322.015734 where: bonds (distance) C4'-P energy: -70.028 bonds (distance) P-C4' energy: -83.003 flat angles C4'-P-C4' energy: -79.913 flat angles P-C4'-P energy: -63.311 tors. eta vs tors. theta energy: -25.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -579.640108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.640108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.640108 (E_RNA) where: Base-Base interactions energy: -299.157 where: short stacking energy: -172.331 Base-Backbone interact. energy: 1.989 local terms energy: -282.472847 where: bonds (distance) C4'-P energy: -67.922 bonds (distance) P-C4' energy: -83.708 flat angles C4'-P-C4' energy: -68.962 flat angles P-C4'-P energy: -48.389 tors. eta vs tors. theta energy: -13.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -539.840158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.840158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.840158 (E_RNA) where: Base-Base interactions energy: -245.891 where: short stacking energy: -148.824 Base-Backbone interact. energy: 2.857 local terms energy: -296.806073 where: bonds (distance) C4'-P energy: -80.573 bonds (distance) P-C4' energy: -90.142 flat angles C4'-P-C4' energy: -71.430 flat angles P-C4'-P energy: -48.576 tors. eta vs tors. theta energy: -6.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -411.907625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.907625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.907625 (E_RNA) where: Base-Base interactions energy: -156.444 where: short stacking energy: -131.162 Base-Backbone interact. energy: 3.487 local terms energy: -258.951175 where: bonds (distance) C4'-P energy: -78.827 bonds (distance) P-C4' energy: -79.815 flat angles C4'-P-C4' energy: -60.296 flat angles P-C4'-P energy: -37.149 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1543.096343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.096343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.096343 (E_RNA) where: Base-Base interactions energy: -1026.382 where: short stacking energy: -460.945 Base-Backbone interact. energy: -5.348 local terms energy: -511.365748 where: bonds (distance) C4'-P energy: -92.964 bonds (distance) P-C4' energy: -107.587 flat angles C4'-P-C4' energy: -100.893 flat angles P-C4'-P energy: -68.604 tors. eta vs tors. theta energy: -141.316 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: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1488.656140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.656140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.656140 (E_RNA) where: Base-Base interactions energy: -995.024 where: short stacking energy: -448.238 Base-Backbone interact. energy: -2.672 local terms energy: -490.960309 where: bonds (distance) C4'-P energy: -93.920 bonds (distance) P-C4' energy: -96.837 flat angles C4'-P-C4' energy: -107.310 flat angles P-C4'-P energy: -65.112 tors. eta vs tors. theta energy: -127.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1372.759230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.759230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.759230 (E_RNA) where: Base-Base interactions energy: -900.875 where: short stacking energy: -418.670 Base-Backbone interact. energy: -1.733 local terms energy: -470.151467 where: bonds (distance) C4'-P energy: -82.761 bonds (distance) P-C4' energy: -105.975 flat angles C4'-P-C4' energy: -90.797 flat angles P-C4'-P energy: -70.529 tors. eta vs tors. theta energy: -120.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1161.064630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.064630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.064630 (E_RNA) where: Base-Base interactions energy: -730.707 where: short stacking energy: -336.214 Base-Backbone interact. energy: -1.132 local terms energy: -429.225101 where: bonds (distance) C4'-P energy: -91.036 bonds (distance) P-C4' energy: -95.515 flat angles C4'-P-C4' energy: -91.142 flat angles P-C4'-P energy: -66.948 tors. eta vs tors. theta energy: -84.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1062.183533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.183533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.183533 (E_RNA) where: Base-Base interactions energy: -671.353 where: short stacking energy: -326.689 Base-Backbone interact. energy: 2.696 local terms energy: -393.527155 where: bonds (distance) C4'-P energy: -75.104 bonds (distance) P-C4' energy: -86.209 flat angles C4'-P-C4' energy: -100.897 flat angles P-C4'-P energy: -51.957 tors. eta vs tors. theta energy: -79.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -943.438628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.438628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.438628 (E_RNA) where: Base-Base interactions energy: -559.257 where: short stacking energy: -280.408 Base-Backbone interact. energy: -1.681 local terms energy: -382.500105 where: bonds (distance) C4'-P energy: -80.398 bonds (distance) P-C4' energy: -90.878 flat angles C4'-P-C4' energy: -79.373 flat angles P-C4'-P energy: -77.044 tors. eta vs tors. theta energy: -54.807 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: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -640.063862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.063862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.063862 (E_RNA) where: Base-Base interactions energy: -334.367 where: short stacking energy: -204.565 Base-Backbone interact. energy: 1.776 local terms energy: -307.472939 where: bonds (distance) C4'-P energy: -90.204 bonds (distance) P-C4' energy: -79.957 flat angles C4'-P-C4' energy: -62.803 flat angles P-C4'-P energy: -56.364 tors. eta vs tors. theta energy: -18.144 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: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -577.453996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.453996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.453996 (E_RNA) where: Base-Base interactions energy: -284.636 where: short stacking energy: -157.868 Base-Backbone interact. energy: 1.003 local terms energy: -293.820717 where: bonds (distance) C4'-P energy: -76.594 bonds (distance) P-C4' energy: -84.627 flat angles C4'-P-C4' energy: -81.228 flat angles P-C4'-P energy: -49.779 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -488.074214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.074214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.074214 (E_RNA) where: Base-Base interactions energy: -198.043 where: short stacking energy: -136.789 Base-Backbone interact. energy: 1.620 local terms energy: -291.650623 where: bonds (distance) C4'-P energy: -78.934 bonds (distance) P-C4' energy: -89.292 flat angles C4'-P-C4' energy: -68.760 flat angles P-C4'-P energy: -60.610 tors. eta vs tors. theta energy: 5.945 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: 5 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -386.667161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.667161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.667161 (E_RNA) where: Base-Base interactions energy: -113.106 where: short stacking energy: -92.456 Base-Backbone interact. energy: -0.307 local terms energy: -273.253966 where: bonds (distance) C4'-P energy: -81.428 bonds (distance) P-C4' energy: -88.047 flat angles C4'-P-C4' energy: -72.187 flat angles P-C4'-P energy: -35.378 tors. eta vs tors. theta energy: 3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1539.843037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.843037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.843037 (E_RNA) where: Base-Base interactions energy: -1052.548 where: short stacking energy: -467.115 Base-Backbone interact. energy: -1.827 local terms energy: -485.468122 where: bonds (distance) C4'-P energy: -88.506 bonds (distance) P-C4' energy: -87.620 flat angles C4'-P-C4' energy: -108.063 flat angles P-C4'-P energy: -68.921 tors. eta vs tors. theta energy: -132.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1480.722145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.722145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.722145 (E_RNA) where: Base-Base interactions energy: -998.665 where: short stacking energy: -450.893 Base-Backbone interact. energy: -2.134 local terms energy: -479.923395 where: bonds (distance) C4'-P energy: -85.042 bonds (distance) P-C4' energy: -92.886 flat angles C4'-P-C4' energy: -95.206 flat angles P-C4'-P energy: -69.879 tors. eta vs tors. theta energy: -136.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1407.032289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.032289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.032289 (E_RNA) where: Base-Base interactions energy: -915.431 where: short stacking energy: -445.438 Base-Backbone interact. energy: -0.749 local terms energy: -490.852279 where: bonds (distance) C4'-P energy: -83.718 bonds (distance) P-C4' energy: -87.238 flat angles C4'-P-C4' energy: -117.472 flat angles P-C4'-P energy: -77.661 tors. eta vs tors. theta energy: -124.764 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: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1225.037361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.037361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.037361 (E_RNA) where: Base-Base interactions energy: -801.994 where: short stacking energy: -371.374 Base-Backbone interact. energy: -2.596 local terms energy: -420.446710 where: bonds (distance) C4'-P energy: -77.230 bonds (distance) P-C4' energy: -77.267 flat angles C4'-P-C4' energy: -103.694 flat angles P-C4'-P energy: -61.830 tors. eta vs tors. theta energy: -100.426 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: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1124.351142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.351142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.351142 (E_RNA) where: Base-Base interactions energy: -708.792 where: short stacking energy: -339.125 Base-Backbone interact. energy: -0.060 local terms energy: -415.499089 where: bonds (distance) C4'-P energy: -79.457 bonds (distance) P-C4' energy: -91.080 flat angles C4'-P-C4' energy: -95.224 flat angles P-C4'-P energy: -63.736 tors. eta vs tors. theta energy: -86.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -943.341272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.341272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.341272 (E_RNA) where: Base-Base interactions energy: -583.808 where: short stacking energy: -297.205 Base-Backbone interact. energy: -0.613 local terms energy: -358.919847 where: bonds (distance) C4'-P energy: -80.921 bonds (distance) P-C4' energy: -83.110 flat angles C4'-P-C4' energy: -96.079 flat angles P-C4'-P energy: -52.540 tors. eta vs tors. theta energy: -46.270 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: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -682.569901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.569901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.569901 (E_RNA) where: Base-Base interactions energy: -363.313 where: short stacking energy: -198.706 Base-Backbone interact. energy: 1.283 local terms energy: -320.540674 where: bonds (distance) C4'-P energy: -93.906 bonds (distance) P-C4' energy: -89.194 flat angles C4'-P-C4' energy: -79.196 flat angles P-C4'-P energy: -31.013 tors. eta vs tors. theta energy: -27.232 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: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -531.759018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.759018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.759018 (E_RNA) where: Base-Base interactions energy: -252.348 where: short stacking energy: -166.250 Base-Backbone interact. energy: 0.917 local terms energy: -280.327663 where: bonds (distance) C4'-P energy: -82.912 bonds (distance) P-C4' energy: -83.006 flat angles C4'-P-C4' energy: -73.614 flat angles P-C4'-P energy: -33.025 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: 9, replica: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -429.754499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.754499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.754499 (E_RNA) where: Base-Base interactions energy: -148.389 where: short stacking energy: -137.145 Base-Backbone interact. energy: 4.499 local terms energy: -285.864211 where: bonds (distance) C4'-P energy: -81.377 bonds (distance) P-C4' energy: -86.511 flat angles C4'-P-C4' energy: -73.110 flat angles P-C4'-P energy: -37.113 tors. eta vs tors. theta energy: -7.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -404.799661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.799661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.799661 (E_RNA) where: Base-Base interactions energy: -150.508 where: short stacking energy: -134.290 Base-Backbone interact. energy: 1.665 local terms energy: -255.956433 where: bonds (distance) C4'-P energy: -60.665 bonds (distance) P-C4' energy: -79.800 flat angles C4'-P-C4' energy: -70.983 flat angles P-C4'-P energy: -43.201 tors. eta vs tors. theta energy: -1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1536.951096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.951096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.951096 (E_RNA) where: Base-Base interactions energy: -1041.988 where: short stacking energy: -455.754 Base-Backbone interact. energy: -6.735 local terms energy: -488.228313 where: bonds (distance) C4'-P energy: -87.658 bonds (distance) P-C4' energy: -98.526 flat angles C4'-P-C4' energy: -106.948 flat angles P-C4'-P energy: -65.820 tors. eta vs tors. theta energy: -129.276 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: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1472.980556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.980556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.980556 (E_RNA) where: Base-Base interactions energy: -977.233 where: short stacking energy: -439.877 Base-Backbone interact. energy: -2.736 local terms energy: -493.011840 where: bonds (distance) C4'-P energy: -97.678 bonds (distance) P-C4' energy: -97.313 flat angles C4'-P-C4' energy: -101.604 flat angles P-C4'-P energy: -57.621 tors. eta vs tors. theta energy: -138.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1329.638530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.638530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.638530 (E_RNA) where: Base-Base interactions energy: -874.953 where: short stacking energy: -393.714 Base-Backbone interact. energy: -3.279 local terms energy: -451.406141 where: bonds (distance) C4'-P energy: -87.943 bonds (distance) P-C4' energy: -89.551 flat angles C4'-P-C4' energy: -89.400 flat angles P-C4'-P energy: -71.144 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: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1200.386331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.386331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.386331 (E_RNA) where: Base-Base interactions energy: -783.663 where: short stacking energy: -364.037 Base-Backbone interact. energy: -1.920 local terms energy: -414.802658 where: bonds (distance) C4'-P energy: -87.203 bonds (distance) P-C4' energy: -90.760 flat angles C4'-P-C4' energy: -91.731 flat angles P-C4'-P energy: -61.577 tors. eta vs tors. theta energy: -83.531 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: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1093.852252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.852252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.852252 (E_RNA) where: Base-Base interactions energy: -676.729 where: short stacking energy: -335.229 Base-Backbone interact. energy: -0.162 local terms energy: -416.961619 where: bonds (distance) C4'-P energy: -98.795 bonds (distance) P-C4' energy: -86.318 flat angles C4'-P-C4' energy: -93.069 flat angles P-C4'-P energy: -51.706 tors. eta vs tors. theta energy: -87.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -965.925483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.925483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.925483 (E_RNA) where: Base-Base interactions energy: -575.590 where: short stacking energy: -287.618 Base-Backbone interact. energy: -2.281 local terms energy: -388.053751 where: bonds (distance) C4'-P energy: -93.670 bonds (distance) P-C4' energy: -86.481 flat angles C4'-P-C4' energy: -83.649 flat angles P-C4'-P energy: -53.777 tors. eta vs tors. theta energy: -70.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -692.462782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.462782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.462782 (E_RNA) where: Base-Base interactions energy: -389.649 where: short stacking energy: -192.264 Base-Backbone interact. energy: -2.706 local terms energy: -300.107365 where: bonds (distance) C4'-P energy: -83.075 bonds (distance) P-C4' energy: -79.476 flat angles C4'-P-C4' energy: -80.377 flat angles P-C4'-P energy: -50.305 tors. eta vs tors. theta energy: -6.875 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: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -589.954948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.954948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.954948 (E_RNA) where: Base-Base interactions energy: -306.382 where: short stacking energy: -168.983 Base-Backbone interact. energy: -3.853 local terms energy: -279.719519 where: bonds (distance) C4'-P energy: -75.798 bonds (distance) P-C4' energy: -80.551 flat angles C4'-P-C4' energy: -69.521 flat angles P-C4'-P energy: -40.051 tors. eta vs tors. theta energy: -13.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -386.423392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.423392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.423392 (E_RNA) where: Base-Base interactions energy: -131.507 where: short stacking energy: -118.718 Base-Backbone interact. energy: -2.469 local terms energy: -252.447100 where: bonds (distance) C4'-P energy: -84.463 bonds (distance) P-C4' energy: -64.823 flat angles C4'-P-C4' energy: -70.241 flat angles P-C4'-P energy: -44.882 tors. eta vs tors. theta energy: 11.962 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: 10, replica: 9 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -365.126250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.126250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.126250 (E_RNA) where: Base-Base interactions energy: -114.267 where: short stacking energy: -108.827 Base-Backbone interact. energy: 1.982 local terms energy: -252.840728 where: bonds (distance) C4'-P energy: -73.214 bonds (distance) P-C4' energy: -84.494 flat angles C4'-P-C4' energy: -70.858 flat angles P-C4'-P energy: -44.572 tors. eta vs tors. theta energy: 20.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1515.019973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.019973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.019973 (E_RNA) where: Base-Base interactions energy: -1013.233 where: short stacking energy: -456.533 Base-Backbone interact. energy: -3.514 local terms energy: -498.272331 where: bonds (distance) C4'-P energy: -101.476 bonds (distance) P-C4' energy: -89.394 flat angles C4'-P-C4' energy: -112.649 flat angles P-C4'-P energy: -62.941 tors. eta vs tors. theta energy: -131.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1483.304930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.304930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.304930 (E_RNA) where: Base-Base interactions energy: -998.969 where: short stacking energy: -423.186 Base-Backbone interact. energy: -1.138 local terms energy: -483.197510 where: bonds (distance) C4'-P energy: -91.011 bonds (distance) P-C4' energy: -102.942 flat angles C4'-P-C4' energy: -95.902 flat angles P-C4'-P energy: -65.789 tors. eta vs tors. theta energy: -127.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1374.177892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.177892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.177892 (E_RNA) where: Base-Base interactions energy: -904.499 where: short stacking energy: -405.693 Base-Backbone interact. energy: -0.721 local terms energy: -468.957555 where: bonds (distance) C4'-P energy: -99.929 bonds (distance) P-C4' energy: -93.354 flat angles C4'-P-C4' energy: -91.074 flat angles P-C4'-P energy: -62.829 tors. eta vs tors. theta energy: -121.771 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: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1211.762539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.762539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.762539 (E_RNA) where: Base-Base interactions energy: -768.122 where: short stacking energy: -373.610 Base-Backbone interact. energy: 0.349 local terms energy: -443.989486 where: bonds (distance) C4'-P energy: -80.336 bonds (distance) P-C4' energy: -104.095 flat angles C4'-P-C4' energy: -97.419 flat angles P-C4'-P energy: -59.902 tors. eta vs tors. theta energy: -102.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1108.402434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.402434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.402434 (E_RNA) where: Base-Base interactions energy: -710.993 where: short stacking energy: -331.569 Base-Backbone interact. energy: 0.132 local terms energy: -397.541256 where: bonds (distance) C4'-P energy: -79.333 bonds (distance) P-C4' energy: -88.179 flat angles C4'-P-C4' energy: -90.734 flat angles P-C4'-P energy: -68.523 tors. eta vs tors. theta energy: -70.773 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: 6, replica: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -874.511280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.511280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.511280 (E_RNA) where: Base-Base interactions energy: -518.844 where: short stacking energy: -277.688 Base-Backbone interact. energy: -0.691 local terms energy: -354.976420 where: bonds (distance) C4'-P energy: -75.710 bonds (distance) P-C4' energy: -88.921 flat angles C4'-P-C4' energy: -78.269 flat angles P-C4'-P energy: -55.563 tors. eta vs tors. theta energy: -56.514 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: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -699.133716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.133716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.133716 (E_RNA) where: Base-Base interactions energy: -371.675 where: short stacking energy: -206.075 Base-Backbone interact. energy: -1.559 local terms energy: -325.900156 where: bonds (distance) C4'-P energy: -91.960 bonds (distance) P-C4' energy: -81.651 flat angles C4'-P-C4' energy: -92.112 flat angles P-C4'-P energy: -42.436 tors. eta vs tors. theta energy: -17.740 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: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -622.471695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.471695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.471695 (E_RNA) where: Base-Base interactions energy: -338.048 where: short stacking energy: -191.805 Base-Backbone interact. energy: 1.382 local terms energy: -285.805489 where: bonds (distance) C4'-P energy: -78.145 bonds (distance) P-C4' energy: -79.215 flat angles C4'-P-C4' energy: -76.449 flat angles P-C4'-P energy: -40.862 tors. eta vs tors. theta energy: -11.135 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: 5 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -401.301430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.301430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.301430 (E_RNA) where: Base-Base interactions energy: -133.562 where: short stacking energy: -100.158 Base-Backbone interact. energy: 2.018 local terms energy: -269.757590 where: bonds (distance) C4'-P energy: -72.457 bonds (distance) P-C4' energy: -91.864 flat angles C4'-P-C4' energy: -64.775 flat angles P-C4'-P energy: -54.909 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: 10, replica: 9 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -356.892815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.892815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.892815 (E_RNA) where: Base-Base interactions energy: -115.001 where: short stacking energy: -104.370 Base-Backbone interact. energy: 1.969 local terms energy: -243.861171 where: bonds (distance) C4'-P energy: -64.462 bonds (distance) P-C4' energy: -82.800 flat angles C4'-P-C4' energy: -79.698 flat angles P-C4'-P energy: -40.297 tors. eta vs tors. theta energy: 23.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1535.087537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.087537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.087537 (E_RNA) where: Base-Base interactions energy: -1036.826 where: short stacking energy: -443.521 Base-Backbone interact. energy: -2.246 local terms energy: -496.015242 where: bonds (distance) C4'-P energy: -95.172 bonds (distance) P-C4' energy: -91.232 flat angles C4'-P-C4' energy: -107.025 flat angles P-C4'-P energy: -73.648 tors. eta vs tors. theta energy: -128.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1502.592354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.592354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.592354 (E_RNA) where: Base-Base interactions energy: -1017.423 where: short stacking energy: -453.284 Base-Backbone interact. energy: -5.770 local terms energy: -479.399394 where: bonds (distance) C4'-P energy: -84.094 bonds (distance) P-C4' energy: -96.322 flat angles C4'-P-C4' energy: -107.759 flat angles P-C4'-P energy: -63.494 tors. eta vs tors. theta energy: -127.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1385.888632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.888632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.888632 (E_RNA) where: Base-Base interactions energy: -931.507 where: short stacking energy: -420.179 Base-Backbone interact. energy: -2.734 local terms energy: -451.647370 where: bonds (distance) C4'-P energy: -79.310 bonds (distance) P-C4' energy: -91.674 flat angles C4'-P-C4' energy: -101.898 flat angles P-C4'-P energy: -58.769 tors. eta vs tors. theta energy: -119.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1203.081571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.081571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.081571 (E_RNA) where: Base-Base interactions energy: -767.486 where: short stacking energy: -360.443 Base-Backbone interact. energy: 0.017 local terms energy: -435.612235 where: bonds (distance) C4'-P energy: -93.948 bonds (distance) P-C4' energy: -94.197 flat angles C4'-P-C4' energy: -93.997 flat angles P-C4'-P energy: -56.821 tors. eta vs tors. theta energy: -96.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1117.718091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.718091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.718091 (E_RNA) where: Base-Base interactions energy: -699.954 where: short stacking energy: -314.685 Base-Backbone interact. energy: 2.911 local terms energy: -420.675647 where: bonds (distance) C4'-P energy: -96.153 bonds (distance) P-C4' energy: -97.850 flat angles C4'-P-C4' energy: -88.629 flat angles P-C4'-P energy: -57.884 tors. eta vs tors. theta energy: -80.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -842.516565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.516565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.516565 (E_RNA) where: Base-Base interactions energy: -507.346 where: short stacking energy: -249.948 Base-Backbone interact. energy: -2.382 local terms energy: -332.788680 where: bonds (distance) C4'-P energy: -85.034 bonds (distance) P-C4' energy: -71.509 flat angles C4'-P-C4' energy: -83.706 flat angles P-C4'-P energy: -57.223 tors. eta vs tors. theta energy: -35.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -684.731789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.731789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.731789 (E_RNA) where: Base-Base interactions energy: -370.233 where: short stacking energy: -197.872 Base-Backbone interact. energy: -0.931 local terms energy: -313.568205 where: bonds (distance) C4'-P energy: -79.075 bonds (distance) P-C4' energy: -87.696 flat angles C4'-P-C4' energy: -88.099 flat angles P-C4'-P energy: -35.077 tors. eta vs tors. theta energy: -23.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -733.591692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.591692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.591692 (E_RNA) where: Base-Base interactions energy: -424.933 where: short stacking energy: -208.948 Base-Backbone interact. energy: -1.500 local terms energy: -307.157901 where: bonds (distance) C4'-P energy: -64.840 bonds (distance) P-C4' energy: -73.259 flat angles C4'-P-C4' energy: -82.043 flat angles P-C4'-P energy: -51.428 tors. eta vs tors. theta energy: -35.588 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: 9, replica: 9 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -424.200641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.200641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.200641 (E_RNA) where: Base-Base interactions energy: -144.791 where: short stacking energy: -113.060 Base-Backbone interact. energy: -2.118 local terms energy: -277.291941 where: bonds (distance) C4'-P energy: -89.046 bonds (distance) P-C4' energy: -75.172 flat angles C4'-P-C4' energy: -65.652 flat angles P-C4'-P energy: -62.680 tors. eta vs tors. theta energy: 15.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -382.197967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.197967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.197967 (E_RNA) where: Base-Base interactions energy: -142.984 where: short stacking energy: -99.160 Base-Backbone interact. energy: 4.939 local terms energy: -244.152816 where: bonds (distance) C4'-P energy: -79.820 bonds (distance) P-C4' energy: -80.753 flat angles C4'-P-C4' energy: -58.625 flat angles P-C4'-P energy: -35.535 tors. eta vs tors. theta energy: 10.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1532.682588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.682588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.682588 (E_RNA) where: Base-Base interactions energy: -1026.825 where: short stacking energy: -461.198 Base-Backbone interact. energy: -4.355 local terms energy: -501.502790 where: bonds (distance) C4'-P energy: -93.564 bonds (distance) P-C4' energy: -106.601 flat angles C4'-P-C4' energy: -110.678 flat angles P-C4'-P energy: -48.461 tors. eta vs tors. theta energy: -142.199 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: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1497.063312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.063312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.063312 (E_RNA) where: Base-Base interactions energy: -1010.925 where: short stacking energy: -434.985 Base-Backbone interact. energy: -4.575 local terms energy: -481.563247 where: bonds (distance) C4'-P energy: -100.973 bonds (distance) P-C4' energy: -89.664 flat angles C4'-P-C4' energy: -105.802 flat angles P-C4'-P energy: -60.393 tors. eta vs tors. theta energy: -124.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1382.761266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.761266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.761266 (E_RNA) where: Base-Base interactions energy: -922.548 where: short stacking energy: -410.549 Base-Backbone interact. energy: -1.413 local terms energy: -458.800298 where: bonds (distance) C4'-P energy: -94.990 bonds (distance) P-C4' energy: -78.456 flat angles C4'-P-C4' energy: -107.854 flat angles P-C4'-P energy: -59.242 tors. eta vs tors. theta energy: -118.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1245.344243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.344243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.344243 (E_RNA) where: Base-Base interactions energy: -795.014 where: short stacking energy: -371.858 Base-Backbone interact. energy: -0.570 local terms energy: -449.760815 where: bonds (distance) C4'-P energy: -99.182 bonds (distance) P-C4' energy: -93.207 flat angles C4'-P-C4' energy: -96.552 flat angles P-C4'-P energy: -55.753 tors. eta vs tors. theta energy: -105.067 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: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1100.155654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.155654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.155654 (E_RNA) where: Base-Base interactions energy: -703.147 where: short stacking energy: -301.698 Base-Backbone interact. energy: -1.175 local terms energy: -395.833195 where: bonds (distance) C4'-P energy: -81.334 bonds (distance) P-C4' energy: -92.017 flat angles C4'-P-C4' energy: -72.420 flat angles P-C4'-P energy: -62.251 tors. eta vs tors. theta energy: -87.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -862.712902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.712902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.712902 (E_RNA) where: Base-Base interactions energy: -517.778 where: short stacking energy: -259.854 Base-Backbone interact. energy: 1.118 local terms energy: -346.053154 where: bonds (distance) C4'-P energy: -82.048 bonds (distance) P-C4' energy: -94.322 flat angles C4'-P-C4' energy: -85.421 flat angles P-C4'-P energy: -40.984 tors. eta vs tors. theta energy: -43.278 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: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -685.538568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.538568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.538568 (E_RNA) where: Base-Base interactions energy: -341.784 where: short stacking energy: -180.614 Base-Backbone interact. energy: 1.814 local terms energy: -345.567595 where: bonds (distance) C4'-P energy: -94.061 bonds (distance) P-C4' energy: -98.913 flat angles C4'-P-C4' energy: -84.320 flat angles P-C4'-P energy: -50.226 tors. eta vs tors. theta energy: -18.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -755.751364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.751364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.751364 (E_RNA) where: Base-Base interactions energy: -451.284 where: short stacking energy: -197.968 Base-Backbone interact. energy: 0.716 local terms energy: -305.183510 where: bonds (distance) C4'-P energy: -76.038 bonds (distance) P-C4' energy: -88.386 flat angles C4'-P-C4' energy: -73.735 flat angles P-C4'-P energy: -39.958 tors. eta vs tors. theta energy: -27.066 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: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -400.451688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.451688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.451688 (E_RNA) where: Base-Base interactions energy: -167.484 where: short stacking energy: -126.408 Base-Backbone interact. energy: 2.940 local terms energy: -235.908479 where: bonds (distance) C4'-P energy: -75.470 bonds (distance) P-C4' energy: -70.481 flat angles C4'-P-C4' energy: -63.581 flat angles P-C4'-P energy: -21.184 tors. eta vs tors. theta energy: -5.193 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: 10, replica: 5 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -384.147605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.147605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.147605 (E_RNA) where: Base-Base interactions energy: -117.544 where: short stacking energy: -100.746 Base-Backbone interact. energy: 9.014 local terms energy: -275.616830 where: bonds (distance) C4'-P energy: -90.666 bonds (distance) P-C4' energy: -78.004 flat angles C4'-P-C4' energy: -77.381 flat angles P-C4'-P energy: -41.512 tors. eta vs tors. theta energy: 11.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1516.690838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.690838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.690838 (E_RNA) where: Base-Base interactions energy: -1009.204 where: short stacking energy: -441.619 Base-Backbone interact. energy: -8.775 local terms energy: -498.711930 where: bonds (distance) C4'-P energy: -88.227 bonds (distance) P-C4' energy: -100.492 flat angles C4'-P-C4' energy: -108.937 flat angles P-C4'-P energy: -65.179 tors. eta vs tors. theta energy: -135.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1503.894520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.894520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.894520 (E_RNA) where: Base-Base interactions energy: -1006.189 where: short stacking energy: -450.897 Base-Backbone interact. energy: -2.536 local terms energy: -495.169139 where: bonds (distance) C4'-P energy: -96.101 bonds (distance) P-C4' energy: -98.762 flat angles C4'-P-C4' energy: -101.336 flat angles P-C4'-P energy: -65.472 tors. eta vs tors. theta energy: -133.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1363.914323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.914323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.914323 (E_RNA) where: Base-Base interactions energy: -896.661 where: short stacking energy: -409.455 Base-Backbone interact. energy: -2.071 local terms energy: -465.182019 where: bonds (distance) C4'-P energy: -88.632 bonds (distance) P-C4' energy: -86.022 flat angles C4'-P-C4' energy: -89.798 flat angles P-C4'-P energy: -79.009 tors. eta vs tors. theta energy: -121.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1275.791568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.791568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.791568 (E_RNA) where: Base-Base interactions energy: -842.420 where: short stacking energy: -390.452 Base-Backbone interact. energy: -1.781 local terms energy: -431.590759 where: bonds (distance) C4'-P energy: -85.534 bonds (distance) P-C4' energy: -87.492 flat angles C4'-P-C4' energy: -92.145 flat angles P-C4'-P energy: -49.505 tors. eta vs tors. theta energy: -116.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1113.417816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.417816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.417816 (E_RNA) where: Base-Base interactions energy: -698.223 where: short stacking energy: -308.743 Base-Backbone interact. energy: -0.560 local terms energy: -414.635095 where: bonds (distance) C4'-P energy: -97.254 bonds (distance) P-C4' energy: -82.379 flat angles C4'-P-C4' energy: -95.577 flat angles P-C4'-P energy: -65.924 tors. eta vs tors. theta energy: -73.501 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: 3 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -857.957370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.957370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.957370 (E_RNA) where: Base-Base interactions energy: -527.991 where: short stacking energy: -273.719 Base-Backbone interact. energy: -1.952 local terms energy: -328.014143 where: bonds (distance) C4'-P energy: -72.792 bonds (distance) P-C4' energy: -82.073 flat angles C4'-P-C4' energy: -88.229 flat angles P-C4'-P energy: -46.309 tors. eta vs tors. theta energy: -38.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -776.021073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.021073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.021073 (E_RNA) where: Base-Base interactions energy: -442.944 where: short stacking energy: -215.455 Base-Backbone interact. energy: 1.544 local terms energy: -334.621475 where: bonds (distance) C4'-P energy: -78.294 bonds (distance) P-C4' energy: -86.699 flat angles C4'-P-C4' energy: -84.118 flat angles P-C4'-P energy: -51.733 tors. eta vs tors. theta energy: -33.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -615.481363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.481363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.481363 (E_RNA) where: Base-Base interactions energy: -313.640 where: short stacking energy: -187.058 Base-Backbone interact. energy: -0.932 local terms energy: -300.909767 where: bonds (distance) C4'-P energy: -69.126 bonds (distance) P-C4' energy: -92.084 flat angles C4'-P-C4' energy: -73.464 flat angles P-C4'-P energy: -35.995 tors. eta vs tors. theta energy: -30.240 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: 9, replica: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -434.734232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.734232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.734232 (E_RNA) where: Base-Base interactions energy: -175.252 where: short stacking energy: -118.028 Base-Backbone interact. energy: -2.199 local terms energy: -257.283217 where: bonds (distance) C4'-P energy: -78.177 bonds (distance) P-C4' energy: -80.429 flat angles C4'-P-C4' energy: -63.217 flat angles P-C4'-P energy: -55.058 tors. eta vs tors. theta energy: 19.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -376.886386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.886386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.886386 (E_RNA) where: Base-Base interactions energy: -115.070 where: short stacking energy: -82.271 Base-Backbone interact. energy: 0.177 local terms energy: -261.993421 where: bonds (distance) C4'-P energy: -70.771 bonds (distance) P-C4' energy: -93.281 flat angles C4'-P-C4' energy: -76.062 flat angles P-C4'-P energy: -55.798 tors. eta vs tors. theta energy: 33.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1493.865133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.865133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.865133 (E_RNA) where: Base-Base interactions energy: -975.621 where: short stacking energy: -450.378 Base-Backbone interact. energy: -9.605 local terms energy: -508.638496 where: bonds (distance) C4'-P energy: -99.696 bonds (distance) P-C4' energy: -84.677 flat angles C4'-P-C4' energy: -112.940 flat angles P-C4'-P energy: -81.263 tors. eta vs tors. theta energy: -130.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1488.508603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.508603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.508603 (E_RNA) where: Base-Base interactions energy: -990.920 where: short stacking energy: -447.142 Base-Backbone interact. energy: -3.213 local terms energy: -494.375779 where: bonds (distance) C4'-P energy: -90.332 bonds (distance) P-C4' energy: -88.970 flat angles C4'-P-C4' energy: -106.513 flat angles P-C4'-P energy: -78.067 tors. eta vs tors. theta energy: -130.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1364.205971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.205971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.205971 (E_RNA) where: Base-Base interactions energy: -900.319 where: short stacking energy: -413.959 Base-Backbone interact. energy: 1.885 local terms energy: -465.772117 where: bonds (distance) C4'-P energy: -93.399 bonds (distance) P-C4' energy: -90.795 flat angles C4'-P-C4' energy: -100.445 flat angles P-C4'-P energy: -61.140 tors. eta vs tors. theta energy: -119.992 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: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1311.757694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.757694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.757694 (E_RNA) where: Base-Base interactions energy: -854.429 where: short stacking energy: -416.894 Base-Backbone interact. energy: -0.632 local terms energy: -456.696529 where: bonds (distance) C4'-P energy: -80.939 bonds (distance) P-C4' energy: -91.985 flat angles C4'-P-C4' energy: -105.721 flat angles P-C4'-P energy: -61.002 tors. eta vs tors. theta energy: -117.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1161.843780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.843780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.843780 (E_RNA) where: Base-Base interactions energy: -735.007 where: short stacking energy: -340.252 Base-Backbone interact. energy: -1.184 local terms energy: -425.652432 where: bonds (distance) C4'-P energy: -84.461 bonds (distance) P-C4' energy: -90.143 flat angles C4'-P-C4' energy: -91.276 flat angles P-C4'-P energy: -48.136 tors. eta vs tors. theta energy: -111.637 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: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -922.238713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.238713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.238713 (E_RNA) where: Base-Base interactions energy: -554.555 where: short stacking energy: -278.036 Base-Backbone interact. energy: -1.797 local terms energy: -365.887017 where: bonds (distance) C4'-P energy: -81.785 bonds (distance) P-C4' energy: -77.170 flat angles C4'-P-C4' energy: -80.859 flat angles P-C4'-P energy: -68.514 tors. eta vs tors. theta energy: -57.560 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: 7 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -776.490883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.490883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.490883 (E_RNA) where: Base-Base interactions energy: -437.317 where: short stacking energy: -210.320 Base-Backbone interact. energy: 0.043 local terms energy: -339.216144 where: bonds (distance) C4'-P energy: -87.664 bonds (distance) P-C4' energy: -93.361 flat angles C4'-P-C4' energy: -88.697 flat angles P-C4'-P energy: -41.072 tors. eta vs tors. theta energy: -28.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -628.390573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.390573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.390573 (E_RNA) where: Base-Base interactions energy: -333.757 where: short stacking energy: -175.626 Base-Backbone interact. energy: -4.636 local terms energy: -289.997563 where: bonds (distance) C4'-P energy: -78.223 bonds (distance) P-C4' energy: -77.853 flat angles C4'-P-C4' energy: -74.806 flat angles P-C4'-P energy: -45.835 tors. eta vs tors. theta energy: -13.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -429.055612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.055612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.055612 (E_RNA) where: Base-Base interactions energy: -169.766 where: short stacking energy: -128.270 Base-Backbone interact. energy: -1.242 local terms energy: -258.048321 where: bonds (distance) C4'-P energy: -83.040 bonds (distance) P-C4' energy: -84.105 flat angles C4'-P-C4' energy: -51.987 flat angles P-C4'-P energy: -43.501 tors. eta vs tors. theta energy: 4.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -366.596382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.596382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.596382 (E_RNA) where: Base-Base interactions energy: -112.393 where: short stacking energy: -74.894 Base-Backbone interact. energy: -4.413 local terms energy: -249.790393 where: bonds (distance) C4'-P energy: -87.010 bonds (distance) P-C4' energy: -71.838 flat angles C4'-P-C4' energy: -69.079 flat angles P-C4'-P energy: -50.257 tors. eta vs tors. theta energy: 28.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1528.233792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.233792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.233792 (E_RNA) where: Base-Base interactions energy: -1020.210 where: short stacking energy: -440.338 Base-Backbone interact. energy: -1.528 local terms energy: -506.495547 where: bonds (distance) C4'-P energy: -91.474 bonds (distance) P-C4' energy: -96.366 flat angles C4'-P-C4' energy: -106.701 flat angles P-C4'-P energy: -70.699 tors. eta vs tors. theta energy: -141.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1454.507333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.507333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.507333 (E_RNA) where: Base-Base interactions energy: -986.155 where: short stacking energy: -409.359 Base-Backbone interact. energy: -6.364 local terms energy: -461.987915 where: bonds (distance) C4'-P energy: -97.126 bonds (distance) P-C4' energy: -98.003 flat angles C4'-P-C4' energy: -91.419 flat angles P-C4'-P energy: -68.032 tors. eta vs tors. theta energy: -107.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1411.138080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.138080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.138080 (E_RNA) where: Base-Base interactions energy: -922.058 where: short stacking energy: -441.280 Base-Backbone interact. energy: -2.740 local terms energy: -486.340108 where: bonds (distance) C4'-P energy: -99.142 bonds (distance) P-C4' energy: -86.430 flat angles C4'-P-C4' energy: -110.746 flat angles P-C4'-P energy: -66.130 tors. eta vs tors. theta energy: -123.893 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: 10 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1260.775656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.775656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.775656 (E_RNA) where: Base-Base interactions energy: -813.949 where: short stacking energy: -393.066 Base-Backbone interact. energy: 1.330 local terms energy: -448.156158 where: bonds (distance) C4'-P energy: -93.211 bonds (distance) P-C4' energy: -98.162 flat angles C4'-P-C4' energy: -90.500 flat angles P-C4'-P energy: -61.553 tors. eta vs tors. theta energy: -104.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1122.295228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.295228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.295228 (E_RNA) where: Base-Base interactions energy: -707.703 where: short stacking energy: -323.494 Base-Backbone interact. energy: -2.128 local terms energy: -412.463941 where: bonds (distance) C4'-P energy: -93.855 bonds (distance) P-C4' energy: -82.608 flat angles C4'-P-C4' energy: -97.378 flat angles P-C4'-P energy: -51.783 tors. eta vs tors. theta energy: -86.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -886.232652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.232652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.232652 (E_RNA) where: Base-Base interactions energy: -524.576 where: short stacking energy: -244.341 Base-Backbone interact. energy: -1.999 local terms energy: -359.657714 where: bonds (distance) C4'-P energy: -88.416 bonds (distance) P-C4' energy: -80.538 flat angles C4'-P-C4' energy: -81.195 flat angles P-C4'-P energy: -57.766 tors. eta vs tors. theta energy: -51.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -832.610777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.610777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.610777 (E_RNA) where: Base-Base interactions energy: -494.484 where: short stacking energy: -227.608 Base-Backbone interact. energy: -1.584 local terms energy: -336.542888 where: bonds (distance) C4'-P energy: -77.460 bonds (distance) P-C4' energy: -86.425 flat angles C4'-P-C4' energy: -88.057 flat angles P-C4'-P energy: -35.817 tors. eta vs tors. theta energy: -48.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -622.924714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.924714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.924714 (E_RNA) where: Base-Base interactions energy: -324.854 where: short stacking energy: -183.053 Base-Backbone interact. energy: -1.199 local terms energy: -296.871835 where: bonds (distance) C4'-P energy: -93.894 bonds (distance) P-C4' energy: -64.808 flat angles C4'-P-C4' energy: -90.479 flat angles P-C4'-P energy: -41.516 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -413.990175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.990175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.990175 (E_RNA) where: Base-Base interactions energy: -146.113 where: short stacking energy: -114.768 Base-Backbone interact. energy: -1.448 local terms energy: -266.429369 where: bonds (distance) C4'-P energy: -85.684 bonds (distance) P-C4' energy: -87.565 flat angles C4'-P-C4' energy: -56.648 flat angles P-C4'-P energy: -40.921 tors. eta vs tors. theta energy: 4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -375.896800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.896800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.896800 (E_RNA) where: Base-Base interactions energy: -114.304 where: short stacking energy: -94.540 Base-Backbone interact. energy: 0.492 local terms energy: -262.084181 where: bonds (distance) C4'-P energy: -82.949 bonds (distance) P-C4' energy: -74.184 flat angles C4'-P-C4' energy: -66.982 flat angles P-C4'-P energy: -38.450 tors. eta vs tors. theta energy: 0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1521.264561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.264561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.264561 (E_RNA) where: Base-Base interactions energy: -1035.750 where: short stacking energy: -465.098 Base-Backbone interact. energy: -3.141 local terms energy: -482.373740 where: bonds (distance) C4'-P energy: -85.425 bonds (distance) P-C4' energy: -80.833 flat angles C4'-P-C4' energy: -108.515 flat angles P-C4'-P energy: -72.678 tors. eta vs tors. theta energy: -134.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1481.949136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.949136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.949136 (E_RNA) where: Base-Base interactions energy: -981.435 where: short stacking energy: -443.745 Base-Backbone interact. energy: -2.490 local terms energy: -498.023590 where: bonds (distance) C4'-P energy: -90.366 bonds (distance) P-C4' energy: -101.119 flat angles C4'-P-C4' energy: -104.664 flat angles P-C4'-P energy: -71.822 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: 3, replica: 4 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1384.292961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.292961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.292961 (E_RNA) where: Base-Base interactions energy: -915.001 where: short stacking energy: -417.681 Base-Backbone interact. energy: -0.950 local terms energy: -468.341316 where: bonds (distance) C4'-P energy: -98.072 bonds (distance) P-C4' energy: -88.811 flat angles C4'-P-C4' energy: -97.709 flat angles P-C4'-P energy: -61.495 tors. eta vs tors. theta energy: -122.254 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: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1265.504628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.504628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.504628 (E_RNA) where: Base-Base interactions energy: -818.030 where: short stacking energy: -370.153 Base-Backbone interact. energy: 0.331 local terms energy: -447.805210 where: bonds (distance) C4'-P energy: -86.997 bonds (distance) P-C4' energy: -90.840 flat angles C4'-P-C4' energy: -95.967 flat angles P-C4'-P energy: -57.907 tors. eta vs tors. theta energy: -116.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1178.908106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.908106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.908106 (E_RNA) where: Base-Base interactions energy: -776.887 where: short stacking energy: -357.411 Base-Backbone interact. energy: 0.579 local terms energy: -402.600126 where: bonds (distance) C4'-P energy: -82.176 bonds (distance) P-C4' energy: -73.737 flat angles C4'-P-C4' energy: -87.696 flat angles P-C4'-P energy: -63.707 tors. eta vs tors. theta energy: -95.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -847.101636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.101636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.101636 (E_RNA) where: Base-Base interactions energy: -498.113 where: short stacking energy: -266.627 Base-Backbone interact. energy: 7.291 local terms energy: -356.279617 where: bonds (distance) C4'-P energy: -88.556 bonds (distance) P-C4' energy: -96.273 flat angles C4'-P-C4' energy: -76.118 flat angles P-C4'-P energy: -43.692 tors. eta vs tors. theta energy: -51.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -820.687279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.687279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.687279 (E_RNA) where: Base-Base interactions energy: -495.654 where: short stacking energy: -213.421 Base-Backbone interact. energy: -2.854 local terms energy: -322.179356 where: bonds (distance) C4'-P energy: -73.854 bonds (distance) P-C4' energy: -85.285 flat angles C4'-P-C4' energy: -87.080 flat angles P-C4'-P energy: -54.010 tors. eta vs tors. theta energy: -21.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -623.447507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.447507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.447507 (E_RNA) where: Base-Base interactions energy: -306.201 where: short stacking energy: -176.960 Base-Backbone interact. energy: -2.221 local terms energy: -315.024950 where: bonds (distance) C4'-P energy: -83.395 bonds (distance) P-C4' energy: -80.427 flat angles C4'-P-C4' energy: -84.120 flat angles P-C4'-P energy: -49.139 tors. eta vs tors. theta energy: -17.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -401.048212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.048212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.048212 (E_RNA) where: Base-Base interactions energy: -144.671 where: short stacking energy: -92.804 Base-Backbone interact. energy: 2.064 local terms energy: -258.441611 where: bonds (distance) C4'-P energy: -78.466 bonds (distance) P-C4' energy: -93.728 flat angles C4'-P-C4' energy: -50.318 flat angles P-C4'-P energy: -47.686 tors. eta vs tors. theta energy: 11.756 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: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -393.688422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.688422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.688422 (E_RNA) where: Base-Base interactions energy: -137.449 where: short stacking energy: -108.859 Base-Backbone interact. energy: -0.461 local terms energy: -255.778091 where: bonds (distance) C4'-P energy: -56.992 bonds (distance) P-C4' energy: -89.496 flat angles C4'-P-C4' energy: -79.543 flat angles P-C4'-P energy: -41.054 tors. eta vs tors. theta energy: 11.307 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: 8 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1574.195134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.195134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.195134 (E_RNA) where: Base-Base interactions energy: -1074.885 where: short stacking energy: -470.023 Base-Backbone interact. energy: -0.685 local terms energy: -498.624981 where: bonds (distance) C4'-P energy: -95.266 bonds (distance) P-C4' energy: -96.218 flat angles C4'-P-C4' energy: -103.673 flat angles P-C4'-P energy: -70.275 tors. eta vs tors. theta energy: -133.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1454.242547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.242547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.242547 (E_RNA) where: Base-Base interactions energy: -975.765 where: short stacking energy: -420.454 Base-Backbone interact. energy: -2.064 local terms energy: -476.413593 where: bonds (distance) C4'-P energy: -85.643 bonds (distance) P-C4' energy: -89.215 flat angles C4'-P-C4' energy: -107.618 flat angles P-C4'-P energy: -74.548 tors. eta vs tors. theta energy: -119.390 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: 4 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1377.391088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.391088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.391088 (E_RNA) where: Base-Base interactions energy: -909.810 where: short stacking energy: -451.419 Base-Backbone interact. energy: 1.059 local terms energy: -468.640249 where: bonds (distance) C4'-P energy: -82.256 bonds (distance) P-C4' energy: -84.735 flat angles C4'-P-C4' energy: -104.229 flat angles P-C4'-P energy: -69.831 tors. eta vs tors. theta energy: -127.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1236.713023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.713023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.713023 (E_RNA) where: Base-Base interactions energy: -816.888 where: short stacking energy: -371.395 Base-Backbone interact. energy: -2.941 local terms energy: -416.884157 where: bonds (distance) C4'-P energy: -80.262 bonds (distance) P-C4' energy: -86.802 flat angles C4'-P-C4' energy: -94.311 flat angles P-C4'-P energy: -64.266 tors. eta vs tors. theta energy: -91.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1175.590839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.590839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.590839 (E_RNA) where: Base-Base interactions energy: -734.296 where: short stacking energy: -336.379 Base-Backbone interact. energy: -3.372 local terms energy: -437.922354 where: bonds (distance) C4'-P energy: -94.151 bonds (distance) P-C4' energy: -94.371 flat angles C4'-P-C4' energy: -85.812 flat angles P-C4'-P energy: -69.412 tors. eta vs tors. theta energy: -94.177 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: 6, replica: 7 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -839.420071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.420071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.420071 (E_RNA) where: Base-Base interactions energy: -499.271 where: short stacking energy: -249.678 Base-Backbone interact. energy: -1.376 local terms energy: -338.772891 where: bonds (distance) C4'-P energy: -70.306 bonds (distance) P-C4' energy: -89.185 flat angles C4'-P-C4' energy: -87.054 flat angles P-C4'-P energy: -50.448 tors. eta vs tors. theta energy: -41.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -814.606037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.606037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.606037 (E_RNA) where: Base-Base interactions energy: -478.781 where: short stacking energy: -245.294 Base-Backbone interact. energy: -1.001 local terms energy: -334.824370 where: bonds (distance) C4'-P energy: -76.275 bonds (distance) P-C4' energy: -80.838 flat angles C4'-P-C4' energy: -75.168 flat angles P-C4'-P energy: -45.987 tors. eta vs tors. theta energy: -56.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -632.475106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.475106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.475106 (E_RNA) where: Base-Base interactions energy: -337.691 where: short stacking energy: -179.582 Base-Backbone interact. energy: -0.295 local terms energy: -294.488707 where: bonds (distance) C4'-P energy: -73.576 bonds (distance) P-C4' energy: -93.832 flat angles C4'-P-C4' energy: -63.623 flat angles P-C4'-P energy: -49.201 tors. eta vs tors. theta energy: -14.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -425.201000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.201000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.201000 (E_RNA) where: Base-Base interactions energy: -162.497 where: short stacking energy: -136.021 Base-Backbone interact. energy: -0.185 local terms energy: -262.518847 where: bonds (distance) C4'-P energy: -78.400 bonds (distance) P-C4' energy: -82.209 flat angles C4'-P-C4' energy: -74.081 flat angles P-C4'-P energy: -30.519 tors. eta vs tors. theta energy: 2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -353.616639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.616639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.616639 (E_RNA) where: Base-Base interactions energy: -131.401 where: short stacking energy: -99.338 Base-Backbone interact. energy: 4.006 local terms energy: -226.221033 where: bonds (distance) C4'-P energy: -66.236 bonds (distance) P-C4' energy: -86.937 flat angles C4'-P-C4' energy: -61.673 flat angles P-C4'-P energy: -47.594 tors. eta vs tors. theta energy: 36.219 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: 8 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1544.748191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.748191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.748191 (E_RNA) where: Base-Base interactions energy: -1041.377 where: short stacking energy: -441.967 Base-Backbone interact. energy: -4.442 local terms energy: -498.928733 where: bonds (distance) C4'-P energy: -95.854 bonds (distance) P-C4' energy: -97.095 flat angles C4'-P-C4' energy: -97.310 flat angles P-C4'-P energy: -73.818 tors. eta vs tors. theta energy: -134.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1499.880998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.880998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.880998 (E_RNA) where: Base-Base interactions energy: -1000.504 where: short stacking energy: -426.283 Base-Backbone interact. energy: -3.571 local terms energy: -495.805988 where: bonds (distance) C4'-P energy: -98.752 bonds (distance) P-C4' energy: -91.585 flat angles C4'-P-C4' energy: -105.817 flat angles P-C4'-P energy: -70.848 tors. eta vs tors. theta energy: -128.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1377.616731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.616731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.616731 (E_RNA) where: Base-Base interactions energy: -907.781 where: short stacking energy: -411.663 Base-Backbone interact. energy: 0.182 local terms energy: -470.017360 where: bonds (distance) C4'-P energy: -88.494 bonds (distance) P-C4' energy: -91.181 flat angles C4'-P-C4' energy: -108.155 flat angles P-C4'-P energy: -60.911 tors. eta vs tors. theta energy: -121.276 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: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1215.581308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.581308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.581308 (E_RNA) where: Base-Base interactions energy: -786.680 where: short stacking energy: -357.946 Base-Backbone interact. energy: 2.804 local terms energy: -431.705026 where: bonds (distance) C4'-P energy: -88.930 bonds (distance) P-C4' energy: -95.154 flat angles C4'-P-C4' energy: -86.978 flat angles P-C4'-P energy: -66.998 tors. eta vs tors. theta energy: -93.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1174.674825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.674825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.674825 (E_RNA) where: Base-Base interactions energy: -749.865 where: short stacking energy: -338.640 Base-Backbone interact. energy: -0.320 local terms energy: -424.489735 where: bonds (distance) C4'-P energy: -88.902 bonds (distance) P-C4' energy: -88.411 flat angles C4'-P-C4' energy: -98.136 flat angles P-C4'-P energy: -51.664 tors. eta vs tors. theta energy: -97.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -865.647520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.647520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.647520 (E_RNA) where: Base-Base interactions energy: -527.451 where: short stacking energy: -254.268 Base-Backbone interact. energy: -1.215 local terms energy: -336.981926 where: bonds (distance) C4'-P energy: -77.961 bonds (distance) P-C4' energy: -76.851 flat angles C4'-P-C4' energy: -84.953 flat angles P-C4'-P energy: -52.214 tors. eta vs tors. theta energy: -45.003 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: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -835.061400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.061400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.061400 (E_RNA) where: Base-Base interactions energy: -495.140 where: short stacking energy: -251.895 Base-Backbone interact. energy: -1.168 local terms energy: -338.753411 where: bonds (distance) C4'-P energy: -73.658 bonds (distance) P-C4' energy: -95.024 flat angles C4'-P-C4' energy: -81.307 flat angles P-C4'-P energy: -44.216 tors. eta vs tors. theta energy: -44.548 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: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -651.078837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.078837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.078837 (E_RNA) where: Base-Base interactions energy: -369.947 where: short stacking energy: -208.230 Base-Backbone interact. energy: 2.865 local terms energy: -283.996800 where: bonds (distance) C4'-P energy: -85.858 bonds (distance) P-C4' energy: -76.572 flat angles C4'-P-C4' energy: -65.202 flat angles P-C4'-P energy: -36.297 tors. eta vs tors. theta energy: -20.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -402.248630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.248630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.248630 (E_RNA) where: Base-Base interactions energy: -158.064 where: short stacking energy: -108.934 Base-Backbone interact. energy: -1.102 local terms energy: -243.082294 where: bonds (distance) C4'-P energy: -76.407 bonds (distance) P-C4' energy: -67.599 flat angles C4'-P-C4' energy: -63.041 flat angles P-C4'-P energy: -38.517 tors. eta vs tors. theta energy: 2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -369.068205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.068205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.068205 (E_RNA) where: Base-Base interactions energy: -126.980 where: short stacking energy: -106.424 Base-Backbone interact. energy: -1.228 local terms energy: -240.860274 where: bonds (distance) C4'-P energy: -63.521 bonds (distance) P-C4' energy: -84.272 flat angles C4'-P-C4' energy: -54.378 flat angles P-C4'-P energy: -46.950 tors. eta vs tors. theta energy: 8.260 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: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1546.937977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.937977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.937977 (E_RNA) where: Base-Base interactions energy: -1040.975 where: short stacking energy: -440.774 Base-Backbone interact. energy: -5.699 local terms energy: -500.263623 where: bonds (distance) C4'-P energy: -93.086 bonds (distance) P-C4' energy: -94.524 flat angles C4'-P-C4' energy: -108.353 flat angles P-C4'-P energy: -59.758 tors. eta vs tors. theta energy: -144.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1470.021624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.021624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.021624 (E_RNA) where: Base-Base interactions energy: -983.689 where: short stacking energy: -428.185 Base-Backbone interact. energy: -4.885 local terms energy: -481.447819 where: bonds (distance) C4'-P energy: -95.679 bonds (distance) P-C4' energy: -93.221 flat angles C4'-P-C4' energy: -93.188 flat angles P-C4'-P energy: -75.795 tors. eta vs tors. theta energy: -123.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1422.640421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.640421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.640421 (E_RNA) where: Base-Base interactions energy: -937.436 where: short stacking energy: -429.487 Base-Backbone interact. energy: -1.915 local terms energy: -483.289337 where: bonds (distance) C4'-P energy: -85.277 bonds (distance) P-C4' energy: -98.005 flat angles C4'-P-C4' energy: -105.744 flat angles P-C4'-P energy: -64.492 tors. eta vs tors. theta energy: -129.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1216.165708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.165708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.165708 (E_RNA) where: Base-Base interactions energy: -781.654 where: short stacking energy: -348.480 Base-Backbone interact. energy: -0.245 local terms energy: -434.266978 where: bonds (distance) C4'-P energy: -93.475 bonds (distance) P-C4' energy: -96.055 flat angles C4'-P-C4' energy: -83.870 flat angles P-C4'-P energy: -61.391 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: 5, replica: 10 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1199.288362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.288362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.288362 (E_RNA) where: Base-Base interactions energy: -768.495 where: short stacking energy: -362.194 Base-Backbone interact. energy: -1.264 local terms energy: -429.529674 where: bonds (distance) C4'-P energy: -81.268 bonds (distance) P-C4' energy: -94.475 flat angles C4'-P-C4' energy: -93.830 flat angles P-C4'-P energy: -67.058 tors. eta vs tors. theta energy: -92.898 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: 7 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -889.306318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.306318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.306318 (E_RNA) where: Base-Base interactions energy: -522.912 where: short stacking energy: -256.731 Base-Backbone interact. energy: -2.782 local terms energy: -363.612040 where: bonds (distance) C4'-P energy: -79.292 bonds (distance) P-C4' energy: -94.387 flat angles C4'-P-C4' energy: -84.500 flat angles P-C4'-P energy: -52.553 tors. eta vs tors. theta energy: -52.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -776.047766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.047766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.047766 (E_RNA) where: Base-Base interactions energy: -444.562 where: short stacking energy: -208.117 Base-Backbone interact. energy: -4.388 local terms energy: -327.097943 where: bonds (distance) C4'-P energy: -81.030 bonds (distance) P-C4' energy: -92.925 flat angles C4'-P-C4' energy: -71.441 flat angles P-C4'-P energy: -47.118 tors. eta vs tors. theta energy: -34.583 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: 1 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -667.399780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.399780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.399780 (E_RNA) where: Base-Base interactions energy: -373.586 where: short stacking energy: -213.446 Base-Backbone interact. energy: 2.294 local terms energy: -296.107483 where: bonds (distance) C4'-P energy: -67.698 bonds (distance) P-C4' energy: -83.498 flat angles C4'-P-C4' energy: -79.671 flat angles P-C4'-P energy: -42.213 tors. eta vs tors. theta energy: -23.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -418.847472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.847472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.847472 (E_RNA) where: Base-Base interactions energy: -148.166 where: short stacking energy: -125.736 Base-Backbone interact. energy: -0.443 local terms energy: -270.238585 where: bonds (distance) C4'-P energy: -60.129 bonds (distance) P-C4' energy: -83.665 flat angles C4'-P-C4' energy: -82.756 flat angles P-C4'-P energy: -46.899 tors. eta vs tors. theta energy: 3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -384.763432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.763432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.763432 (E_RNA) where: Base-Base interactions energy: -151.039 where: short stacking energy: -107.141 Base-Backbone interact. energy: -2.477 local terms energy: -231.246656 where: bonds (distance) C4'-P energy: -79.621 bonds (distance) P-C4' energy: -77.992 flat angles C4'-P-C4' energy: -67.205 flat angles P-C4'-P energy: -35.245 tors. eta vs tors. theta energy: 28.816 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: 1, replica: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1553.756004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.756004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.756004 (E_RNA) where: Base-Base interactions energy: -1028.548 where: short stacking energy: -441.985 Base-Backbone interact. energy: -3.412 local terms energy: -521.795737 where: bonds (distance) C4'-P energy: -97.811 bonds (distance) P-C4' energy: -105.763 flat angles C4'-P-C4' energy: -110.819 flat angles P-C4'-P energy: -63.690 tors. eta vs tors. theta energy: -143.712 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: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1524.213749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.213749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.213749 (E_RNA) where: Base-Base interactions energy: -1026.363 where: short stacking energy: -452.942 Base-Backbone interact. energy: -7.385 local terms energy: -490.465389 where: bonds (distance) C4'-P energy: -97.056 bonds (distance) P-C4' energy: -96.764 flat angles C4'-P-C4' energy: -103.926 flat angles P-C4'-P energy: -71.715 tors. eta vs tors. theta energy: -121.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1394.475236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.475236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.475236 (E_RNA) where: Base-Base interactions energy: -925.129 where: short stacking energy: -434.067 Base-Backbone interact. energy: -0.701 local terms energy: -468.645169 where: bonds (distance) C4'-P energy: -89.532 bonds (distance) P-C4' energy: -85.485 flat angles C4'-P-C4' energy: -105.521 flat angles P-C4'-P energy: -65.638 tors. eta vs tors. theta energy: -122.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1225.227038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.227038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.227038 (E_RNA) where: Base-Base interactions energy: -802.925 where: short stacking energy: -350.898 Base-Backbone interact. energy: 0.289 local terms energy: -422.590726 where: bonds (distance) C4'-P energy: -72.130 bonds (distance) P-C4' energy: -99.721 flat angles C4'-P-C4' energy: -97.418 flat angles P-C4'-P energy: -56.852 tors. eta vs tors. theta energy: -96.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1163.521017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.521017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.521017 (E_RNA) where: Base-Base interactions energy: -750.814 where: short stacking energy: -331.660 Base-Backbone interact. energy: -2.090 local terms energy: -410.617162 where: bonds (distance) C4'-P energy: -80.145 bonds (distance) P-C4' energy: -88.232 flat angles C4'-P-C4' energy: -84.978 flat angles P-C4'-P energy: -62.399 tors. eta vs tors. theta energy: -94.863 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: 7 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -924.290858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.290858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.290858 (E_RNA) where: Base-Base interactions energy: -586.795 where: short stacking energy: -260.473 Base-Backbone interact. energy: -2.205 local terms energy: -335.290334 where: bonds (distance) C4'-P energy: -87.274 bonds (distance) P-C4' energy: -86.546 flat angles C4'-P-C4' energy: -79.755 flat angles P-C4'-P energy: -42.359 tors. eta vs tors. theta energy: -39.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -812.756268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.756268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.756268 (E_RNA) where: Base-Base interactions energy: -472.565 where: short stacking energy: -233.865 Base-Backbone interact. energy: 4.062 local terms energy: -344.254147 where: bonds (distance) C4'-P energy: -83.582 bonds (distance) P-C4' energy: -94.380 flat angles C4'-P-C4' energy: -83.618 flat angles P-C4'-P energy: -49.438 tors. eta vs tors. theta energy: -33.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -654.202840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.202840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.202840 (E_RNA) where: Base-Base interactions energy: -357.383 where: short stacking energy: -198.146 Base-Backbone interact. energy: -2.159 local terms energy: -294.661129 where: bonds (distance) C4'-P energy: -69.868 bonds (distance) P-C4' energy: -84.532 flat angles C4'-P-C4' energy: -78.192 flat angles P-C4'-P energy: -45.663 tors. eta vs tors. theta energy: -16.406 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: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -420.508348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.508348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.508348 (E_RNA) where: Base-Base interactions energy: -158.812 where: short stacking energy: -143.869 Base-Backbone interact. energy: -0.340 local terms energy: -261.357208 where: bonds (distance) C4'-P energy: -71.783 bonds (distance) P-C4' energy: -73.863 flat angles C4'-P-C4' energy: -79.319 flat angles P-C4'-P energy: -48.435 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: 10, replica: 5 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -387.475220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.475220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.475220 (E_RNA) where: Base-Base interactions energy: -141.282 where: short stacking energy: -135.760 Base-Backbone interact. energy: 0.522 local terms energy: -246.714903 where: bonds (distance) C4'-P energy: -75.595 bonds (distance) P-C4' energy: -74.157 flat angles C4'-P-C4' energy: -67.877 flat angles P-C4'-P energy: -38.167 tors. eta vs tors. theta energy: 9.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1547.353849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.353849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.353849 (E_RNA) where: Base-Base interactions energy: -1027.175 where: short stacking energy: -446.675 Base-Backbone interact. energy: -0.739 local terms energy: -519.440113 where: bonds (distance) C4'-P energy: -101.233 bonds (distance) P-C4' energy: -97.709 flat angles C4'-P-C4' energy: -115.584 flat angles P-C4'-P energy: -66.789 tors. eta vs tors. theta energy: -138.125 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: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1469.827047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.827047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.827047 (E_RNA) where: Base-Base interactions energy: -1001.296 where: short stacking energy: -440.145 Base-Backbone interact. energy: -3.589 local terms energy: -464.942613 where: bonds (distance) C4'-P energy: -90.906 bonds (distance) P-C4' energy: -89.239 flat angles C4'-P-C4' energy: -109.689 flat angles P-C4'-P energy: -57.429 tors. eta vs tors. theta energy: -117.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1384.652457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.652457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.652457 (E_RNA) where: Base-Base interactions energy: -927.485 where: short stacking energy: -425.772 Base-Backbone interact. energy: 0.064 local terms energy: -457.231312 where: bonds (distance) C4'-P energy: -95.994 bonds (distance) P-C4' energy: -84.519 flat angles C4'-P-C4' energy: -103.093 flat angles P-C4'-P energy: -52.366 tors. eta vs tors. theta energy: -121.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1215.529343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.529343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.529343 (E_RNA) where: Base-Base interactions energy: -782.897 where: short stacking energy: -358.466 Base-Backbone interact. energy: -1.263 local terms energy: -431.369154 where: bonds (distance) C4'-P energy: -87.725 bonds (distance) P-C4' energy: -93.803 flat angles C4'-P-C4' energy: -94.203 flat angles P-C4'-P energy: -62.175 tors. eta vs tors. theta energy: -93.462 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: 326 Temperature: 1.100000 Total energy: -1184.422952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.422952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.422952 (E_RNA) where: Base-Base interactions energy: -769.184 where: short stacking energy: -359.382 Base-Backbone interact. energy: 0.570 local terms energy: -415.809018 where: bonds (distance) C4'-P energy: -92.505 bonds (distance) P-C4' energy: -72.657 flat angles C4'-P-C4' energy: -95.047 flat angles P-C4'-P energy: -65.475 tors. eta vs tors. theta energy: -90.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -924.068914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.068914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.068914 (E_RNA) where: Base-Base interactions energy: -574.446 where: short stacking energy: -277.502 Base-Backbone interact. energy: 2.491 local terms energy: -352.114205 where: bonds (distance) C4'-P energy: -77.484 bonds (distance) P-C4' energy: -79.734 flat angles C4'-P-C4' energy: -81.920 flat angles P-C4'-P energy: -63.031 tors. eta vs tors. theta energy: -49.945 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: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -801.385943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.385943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.385943 (E_RNA) where: Base-Base interactions energy: -453.459 where: short stacking energy: -233.841 Base-Backbone interact. energy: -1.800 local terms energy: -346.127587 where: bonds (distance) C4'-P energy: -83.522 bonds (distance) P-C4' energy: -98.925 flat angles C4'-P-C4' energy: -89.554 flat angles P-C4'-P energy: -43.697 tors. eta vs tors. theta energy: -30.429 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: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -633.915043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.915043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.915043 (E_RNA) where: Base-Base interactions energy: -336.970 where: short stacking energy: -179.137 Base-Backbone interact. energy: 0.123 local terms energy: -297.068061 where: bonds (distance) C4'-P energy: -72.013 bonds (distance) P-C4' energy: -81.718 flat angles C4'-P-C4' energy: -79.153 flat angles P-C4'-P energy: -43.038 tors. eta vs tors. theta energy: -21.144 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: 5 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -396.204253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.204253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.204253 (E_RNA) where: Base-Base interactions energy: -124.670 where: short stacking energy: -109.213 Base-Backbone interact. energy: 2.155 local terms energy: -273.689179 where: bonds (distance) C4'-P energy: -69.703 bonds (distance) P-C4' energy: -83.841 flat angles C4'-P-C4' energy: -79.145 flat angles P-C4'-P energy: -50.858 tors. eta vs tors. theta energy: 9.859 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: 326 Temperature: 1.350000 Total energy: -405.011551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.011551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.011551 (E_RNA) where: Base-Base interactions energy: -164.130 where: short stacking energy: -121.951 Base-Backbone interact. energy: 1.127 local terms energy: -242.008762 where: bonds (distance) C4'-P energy: -69.769 bonds (distance) P-C4' energy: -71.637 flat angles C4'-P-C4' energy: -53.939 flat angles P-C4'-P energy: -48.427 tors. eta vs tors. theta energy: 1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1567.774951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.774951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.774951 (E_RNA) where: Base-Base interactions energy: -1055.082 where: short stacking energy: -434.544 Base-Backbone interact. energy: -1.781 local terms energy: -510.912516 where: bonds (distance) C4'-P energy: -91.916 bonds (distance) P-C4' energy: -96.489 flat angles C4'-P-C4' energy: -110.624 flat angles P-C4'-P energy: -67.292 tors. eta vs tors. theta energy: -144.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1496.556670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.556670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.556670 (E_RNA) where: Base-Base interactions energy: -1013.516 where: short stacking energy: -426.444 Base-Backbone interact. energy: -7.141 local terms energy: -475.899581 where: bonds (distance) C4'-P energy: -87.151 bonds (distance) P-C4' energy: -91.721 flat angles C4'-P-C4' energy: -105.035 flat angles P-C4'-P energy: -68.145 tors. eta vs tors. theta energy: -123.848 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: 4 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1365.471065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.471065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.471065 (E_RNA) where: Base-Base interactions energy: -906.433 where: short stacking energy: -411.645 Base-Backbone interact. energy: -1.134 local terms energy: -457.903885 where: bonds (distance) C4'-P energy: -83.314 bonds (distance) P-C4' energy: -86.665 flat angles C4'-P-C4' energy: -100.985 flat angles P-C4'-P energy: -72.194 tors. eta vs tors. theta energy: -114.747 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: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1212.816595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.816595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.816595 (E_RNA) where: Base-Base interactions energy: -778.312 where: short stacking energy: -344.190 Base-Backbone interact. energy: -1.336 local terms energy: -433.169047 where: bonds (distance) C4'-P energy: -87.243 bonds (distance) P-C4' energy: -100.077 flat angles C4'-P-C4' energy: -92.709 flat angles P-C4'-P energy: -62.463 tors. eta vs tors. theta energy: -90.678 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: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1140.439676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.439676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.439676 (E_RNA) where: Base-Base interactions energy: -688.185 where: short stacking energy: -321.416 Base-Backbone interact. energy: 0.322 local terms energy: -452.576965 where: bonds (distance) C4'-P energy: -90.123 bonds (distance) P-C4' energy: -92.407 flat angles C4'-P-C4' energy: -102.598 flat angles P-C4'-P energy: -76.242 tors. eta vs tors. theta energy: -91.207 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: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -915.460412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.460412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.460412 (E_RNA) where: Base-Base interactions energy: -556.931 where: short stacking energy: -260.481 Base-Backbone interact. energy: -3.714 local terms energy: -354.816287 where: bonds (distance) C4'-P energy: -78.960 bonds (distance) P-C4' energy: -93.006 flat angles C4'-P-C4' energy: -82.745 flat angles P-C4'-P energy: -48.314 tors. eta vs tors. theta energy: -51.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -855.660719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.660719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.660719 (E_RNA) where: Base-Base interactions energy: -496.127 where: short stacking energy: -253.097 Base-Backbone interact. energy: -3.201 local terms energy: -356.333027 where: bonds (distance) C4'-P energy: -84.522 bonds (distance) P-C4' energy: -76.166 flat angles C4'-P-C4' energy: -92.940 flat angles P-C4'-P energy: -55.506 tors. eta vs tors. theta energy: -47.199 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: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -606.678216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.678216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.678216 (E_RNA) where: Base-Base interactions energy: -307.930 where: short stacking energy: -173.701 Base-Backbone interact. energy: -3.309 local terms energy: -295.439678 where: bonds (distance) C4'-P energy: -83.513 bonds (distance) P-C4' energy: -79.651 flat angles C4'-P-C4' energy: -75.485 flat angles P-C4'-P energy: -45.897 tors. eta vs tors. theta energy: -10.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -451.258965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.258965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.258965 (E_RNA) where: Base-Base interactions energy: -201.297 where: short stacking energy: -137.571 Base-Backbone interact. energy: 2.327 local terms energy: -252.288346 where: bonds (distance) C4'-P energy: -67.795 bonds (distance) P-C4' energy: -84.722 flat angles C4'-P-C4' energy: -60.851 flat angles P-C4'-P energy: -46.459 tors. eta vs tors. theta energy: 7.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -369.668131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.668131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.668131 (E_RNA) where: Base-Base interactions energy: -115.186 where: short stacking energy: -99.697 Base-Backbone interact. energy: 2.160 local terms energy: -256.642421 where: bonds (distance) C4'-P energy: -83.959 bonds (distance) P-C4' energy: -80.886 flat angles C4'-P-C4' energy: -69.499 flat angles P-C4'-P energy: -51.179 tors. eta vs tors. theta energy: 28.882 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: 6 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1522.960633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.960633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.960633 (E_RNA) where: Base-Base interactions energy: -1037.548 where: short stacking energy: -454.999 Base-Backbone interact. energy: -5.338 local terms energy: -480.074359 where: bonds (distance) C4'-P energy: -90.283 bonds (distance) P-C4' energy: -95.356 flat angles C4'-P-C4' energy: -91.832 flat angles P-C4'-P energy: -66.988 tors. eta vs tors. theta energy: -135.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1527.077826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.077826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.077826 (E_RNA) where: Base-Base interactions energy: -1046.328 where: short stacking energy: -448.416 Base-Backbone interact. energy: 2.932 local terms energy: -483.681936 where: bonds (distance) C4'-P energy: -87.687 bonds (distance) P-C4' energy: -84.437 flat angles C4'-P-C4' energy: -109.524 flat angles P-C4'-P energy: -63.038 tors. eta vs tors. theta energy: -138.997 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: 3, replica: 4 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1414.192204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.192204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.192204 (E_RNA) where: Base-Base interactions energy: -930.295 where: short stacking energy: -425.778 Base-Backbone interact. energy: -0.581 local terms energy: -483.316631 where: bonds (distance) C4'-P energy: -95.357 bonds (distance) P-C4' energy: -97.809 flat angles C4'-P-C4' energy: -102.757 flat angles P-C4'-P energy: -65.269 tors. eta vs tors. theta energy: -122.125 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: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1227.928296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.928296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.928296 (E_RNA) where: Base-Base interactions energy: -792.234 where: short stacking energy: -355.439 Base-Backbone interact. energy: 1.471 local terms energy: -437.165118 where: bonds (distance) C4'-P energy: -84.285 bonds (distance) P-C4' energy: -101.547 flat angles C4'-P-C4' energy: -96.443 flat angles P-C4'-P energy: -56.795 tors. eta vs tors. theta energy: -98.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1162.212537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.212537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.212537 (E_RNA) where: Base-Base interactions energy: -741.795 where: short stacking energy: -337.469 Base-Backbone interact. energy: 0.619 local terms energy: -421.036437 where: bonds (distance) C4'-P energy: -83.202 bonds (distance) P-C4' energy: -92.710 flat angles C4'-P-C4' energy: -95.867 flat angles P-C4'-P energy: -52.884 tors. eta vs tors. theta energy: -96.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -917.138741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.138741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.138741 (E_RNA) where: Base-Base interactions energy: -553.230 where: short stacking energy: -268.228 Base-Backbone interact. energy: -0.118 local terms energy: -363.790565 where: bonds (distance) C4'-P energy: -89.784 bonds (distance) P-C4' energy: -78.767 flat angles C4'-P-C4' energy: -81.674 flat angles P-C4'-P energy: -54.026 tors. eta vs tors. theta energy: -59.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -826.635787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.635787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.635787 (E_RNA) where: Base-Base interactions energy: -484.722 where: short stacking energy: -245.779 Base-Backbone interact. energy: 0.800 local terms energy: -342.713998 where: bonds (distance) C4'-P energy: -86.280 bonds (distance) P-C4' energy: -84.751 flat angles C4'-P-C4' energy: -86.446 flat angles P-C4'-P energy: -46.694 tors. eta vs tors. theta energy: -38.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -625.567860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.567860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.567860 (E_RNA) where: Base-Base interactions energy: -312.505 where: short stacking energy: -181.065 Base-Backbone interact. energy: 1.629 local terms energy: -314.692648 where: bonds (distance) C4'-P energy: -88.677 bonds (distance) P-C4' energy: -74.345 flat angles C4'-P-C4' energy: -83.145 flat angles P-C4'-P energy: -47.314 tors. eta vs tors. theta energy: -21.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -469.770758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.770758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.770758 (E_RNA) where: Base-Base interactions energy: -222.374 where: short stacking energy: -140.118 Base-Backbone interact. energy: -0.798 local terms energy: -246.598446 where: bonds (distance) C4'-P energy: -79.066 bonds (distance) P-C4' energy: -77.002 flat angles C4'-P-C4' energy: -66.393 flat angles P-C4'-P energy: -33.073 tors. eta vs tors. theta energy: 8.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -368.726736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.726736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.726736 (E_RNA) where: Base-Base interactions energy: -116.609 where: short stacking energy: -104.051 Base-Backbone interact. energy: -2.159 local terms energy: -249.958421 where: bonds (distance) C4'-P energy: -72.952 bonds (distance) P-C4' energy: -95.466 flat angles C4'-P-C4' energy: -55.625 flat angles P-C4'-P energy: -35.617 tors. eta vs tors. theta energy: 9.702 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: 6 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1505.866533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.866533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.866533 (E_RNA) where: Base-Base interactions energy: -1002.628 where: short stacking energy: -446.975 Base-Backbone interact. energy: -5.799 local terms energy: -497.439662 where: bonds (distance) C4'-P energy: -91.933 bonds (distance) P-C4' energy: -107.936 flat angles C4'-P-C4' energy: -107.362 flat angles P-C4'-P energy: -55.542 tors. eta vs tors. theta energy: -134.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1504.697060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.697060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.697060 (E_RNA) where: Base-Base interactions energy: -1015.098 where: short stacking energy: -433.838 Base-Backbone interact. energy: -0.168 local terms energy: -489.430805 where: bonds (distance) C4'-P energy: -87.180 bonds (distance) P-C4' energy: -99.519 flat angles C4'-P-C4' energy: -99.679 flat angles P-C4'-P energy: -60.440 tors. eta vs tors. theta energy: -142.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1370.307096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.307096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.307096 (E_RNA) where: Base-Base interactions energy: -918.173 where: short stacking energy: -450.765 Base-Backbone interact. energy: 0.627 local terms energy: -452.761035 where: bonds (distance) C4'-P energy: -84.601 bonds (distance) P-C4' energy: -81.596 flat angles C4'-P-C4' energy: -90.261 flat angles P-C4'-P energy: -69.293 tors. eta vs tors. theta energy: -127.009 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: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1257.751659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.751659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.751659 (E_RNA) where: Base-Base interactions energy: -817.051 where: short stacking energy: -373.129 Base-Backbone interact. energy: -2.909 local terms energy: -437.791248 where: bonds (distance) C4'-P energy: -95.915 bonds (distance) P-C4' energy: -92.502 flat angles C4'-P-C4' energy: -98.415 flat angles P-C4'-P energy: -40.356 tors. eta vs tors. theta energy: -110.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1143.829709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.829709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.829709 (E_RNA) where: Base-Base interactions energy: -743.536 where: short stacking energy: -327.049 Base-Backbone interact. energy: -1.067 local terms energy: -399.226768 where: bonds (distance) C4'-P energy: -79.295 bonds (distance) P-C4' energy: -86.888 flat angles C4'-P-C4' energy: -93.593 flat angles P-C4'-P energy: -62.267 tors. eta vs tors. theta energy: -77.184 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: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -916.394191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.394191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.394191 (E_RNA) where: Base-Base interactions energy: -583.403 where: short stacking energy: -269.054 Base-Backbone interact. energy: -1.597 local terms energy: -331.393766 where: bonds (distance) C4'-P energy: -79.461 bonds (distance) P-C4' energy: -81.301 flat angles C4'-P-C4' energy: -82.314 flat angles P-C4'-P energy: -42.694 tors. eta vs tors. theta energy: -45.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -800.669247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.669247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.669247 (E_RNA) where: Base-Base interactions energy: -469.406 where: short stacking energy: -231.336 Base-Backbone interact. energy: -0.451 local terms energy: -330.812367 where: bonds (distance) C4'-P energy: -61.871 bonds (distance) P-C4' energy: -89.619 flat angles C4'-P-C4' energy: -84.067 flat angles P-C4'-P energy: -60.642 tors. eta vs tors. theta energy: -34.613 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: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -619.362703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.362703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.362703 (E_RNA) where: Base-Base interactions energy: -342.873 where: short stacking energy: -191.223 Base-Backbone interact. energy: 1.446 local terms energy: -277.935768 where: bonds (distance) C4'-P energy: -79.333 bonds (distance) P-C4' energy: -71.473 flat angles C4'-P-C4' energy: -75.058 flat angles P-C4'-P energy: -47.904 tors. eta vs tors. theta energy: -4.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -413.522187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.522187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.522187 (E_RNA) where: Base-Base interactions energy: -125.661 where: short stacking energy: -113.703 Base-Backbone interact. energy: -0.109 local terms energy: -287.752364 where: bonds (distance) C4'-P energy: -80.296 bonds (distance) P-C4' energy: -80.384 flat angles C4'-P-C4' energy: -80.268 flat angles P-C4'-P energy: -44.529 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -378.522725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.522725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.522725 (E_RNA) where: Base-Base interactions energy: -129.933 where: short stacking energy: -104.974 Base-Backbone interact. energy: -0.867 local terms energy: -247.722471 where: bonds (distance) C4'-P energy: -82.183 bonds (distance) P-C4' energy: -85.006 flat angles C4'-P-C4' energy: -69.554 flat angles P-C4'-P energy: -16.693 tors. eta vs tors. theta energy: 5.713 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: 6 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1547.752464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.752464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.752464 (E_RNA) where: Base-Base interactions energy: -1020.113 where: short stacking energy: -458.593 Base-Backbone interact. energy: -6.286 local terms energy: -521.353749 where: bonds (distance) C4'-P energy: -102.354 bonds (distance) P-C4' energy: -99.803 flat angles C4'-P-C4' energy: -113.760 flat angles P-C4'-P energy: -78.542 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: 2, replica: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1537.104126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.104126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.104126 (E_RNA) where: Base-Base interactions energy: -1038.999 where: short stacking energy: -454.981 Base-Backbone interact. energy: -3.120 local terms energy: -494.985062 where: bonds (distance) C4'-P energy: -91.602 bonds (distance) P-C4' energy: -109.921 flat angles C4'-P-C4' energy: -97.999 flat angles P-C4'-P energy: -58.647 tors. eta vs tors. theta energy: -136.816 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: 4 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1371.035074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.035074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.035074 (E_RNA) where: Base-Base interactions energy: -920.351 where: short stacking energy: -427.544 Base-Backbone interact. energy: -1.667 local terms energy: -449.016416 where: bonds (distance) C4'-P energy: -91.832 bonds (distance) P-C4' energy: -76.736 flat angles C4'-P-C4' energy: -107.788 flat angles P-C4'-P energy: -43.677 tors. eta vs tors. theta energy: -128.984 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: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1205.273227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.273227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.273227 (E_RNA) where: Base-Base interactions energy: -762.385 where: short stacking energy: -374.205 Base-Backbone interact. energy: -1.949 local terms energy: -440.939090 where: bonds (distance) C4'-P energy: -97.356 bonds (distance) P-C4' energy: -95.158 flat angles C4'-P-C4' energy: -93.630 flat angles P-C4'-P energy: -62.987 tors. eta vs tors. theta energy: -91.809 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: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1107.136782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.136782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.136782 (E_RNA) where: Base-Base interactions energy: -699.661 where: short stacking energy: -333.956 Base-Backbone interact. energy: -2.163 local terms energy: -405.312741 where: bonds (distance) C4'-P energy: -79.188 bonds (distance) P-C4' energy: -82.352 flat angles C4'-P-C4' energy: -97.432 flat angles P-C4'-P energy: -60.889 tors. eta vs tors. theta energy: -85.452 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: 6, replica: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -945.209278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.209278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.209278 (E_RNA) where: Base-Base interactions energy: -573.814 where: short stacking energy: -256.541 Base-Backbone interact. energy: 0.012 local terms energy: -371.407299 where: bonds (distance) C4'-P energy: -92.935 bonds (distance) P-C4' energy: -76.123 flat angles C4'-P-C4' energy: -100.755 flat angles P-C4'-P energy: -43.418 tors. eta vs tors. theta energy: -58.176 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: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -802.361791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.361791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.361791 (E_RNA) where: Base-Base interactions energy: -474.479 where: short stacking energy: -250.995 Base-Backbone interact. energy: 1.846 local terms energy: -329.728589 where: bonds (distance) C4'-P energy: -76.150 bonds (distance) P-C4' energy: -87.584 flat angles C4'-P-C4' energy: -76.872 flat angles P-C4'-P energy: -44.639 tors. eta vs tors. theta energy: -44.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -593.164124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.164124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.164124 (E_RNA) where: Base-Base interactions energy: -262.441 where: short stacking energy: -163.246 Base-Backbone interact. energy: -0.316 local terms energy: -330.407123 where: bonds (distance) C4'-P energy: -88.930 bonds (distance) P-C4' energy: -97.235 flat angles C4'-P-C4' energy: -81.600 flat angles P-C4'-P energy: -45.021 tors. eta vs tors. theta energy: -17.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -392.503391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.503391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.503391 (E_RNA) where: Base-Base interactions energy: -149.443 where: short stacking energy: -119.227 Base-Backbone interact. energy: -4.308 local terms energy: -238.752199 where: bonds (distance) C4'-P energy: -71.946 bonds (distance) P-C4' energy: -57.073 flat angles C4'-P-C4' energy: -74.665 flat angles P-C4'-P energy: -51.522 tors. eta vs tors. theta energy: 16.453 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: 5 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -371.453304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.453304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.453304 (E_RNA) where: Base-Base interactions energy: -131.982 where: short stacking energy: -108.116 Base-Backbone interact. energy: 1.845 local terms energy: -241.316022 where: bonds (distance) C4'-P energy: -82.914 bonds (distance) P-C4' energy: -82.846 flat angles C4'-P-C4' energy: -58.276 flat angles P-C4'-P energy: -36.881 tors. eta vs tors. theta energy: 19.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1540.015583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.015583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.015583 (E_RNA) where: Base-Base interactions energy: -1045.024 where: short stacking energy: -433.491 Base-Backbone interact. energy: -3.391 local terms energy: -491.601153 where: bonds (distance) C4'-P energy: -97.883 bonds (distance) P-C4' energy: -91.575 flat angles C4'-P-C4' energy: -108.706 flat angles P-C4'-P energy: -72.309 tors. eta vs tors. theta energy: -121.128 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: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1487.204354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.204354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.204354 (E_RNA) where: Base-Base interactions energy: -1005.213 where: short stacking energy: -436.646 Base-Backbone interact. energy: -4.108 local terms energy: -477.882951 where: bonds (distance) C4'-P energy: -89.859 bonds (distance) P-C4' energy: -87.707 flat angles C4'-P-C4' energy: -101.336 flat angles P-C4'-P energy: -72.985 tors. eta vs tors. theta energy: -125.996 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: 3, replica: 4 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1392.496899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.496899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.496899 (E_RNA) where: Base-Base interactions energy: -926.848 where: short stacking energy: -432.200 Base-Backbone interact. energy: -0.825 local terms energy: -464.823631 where: bonds (distance) C4'-P energy: -85.595 bonds (distance) P-C4' energy: -86.627 flat angles C4'-P-C4' energy: -103.781 flat angles P-C4'-P energy: -65.114 tors. eta vs tors. theta energy: -123.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1151.410267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.410267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.410267 (E_RNA) where: Base-Base interactions energy: -741.422 where: short stacking energy: -336.557 Base-Backbone interact. energy: -0.633 local terms energy: -409.355454 where: bonds (distance) C4'-P energy: -91.855 bonds (distance) P-C4' energy: -83.808 flat angles C4'-P-C4' energy: -101.816 flat angles P-C4'-P energy: -51.727 tors. eta vs tors. theta energy: -80.149 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: 10 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1196.959290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.959290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.959290 (E_RNA) where: Base-Base interactions energy: -785.560 where: short stacking energy: -373.307 Base-Backbone interact. energy: -0.810 local terms energy: -410.589436 where: bonds (distance) C4'-P energy: -77.959 bonds (distance) P-C4' energy: -81.610 flat angles C4'-P-C4' energy: -98.533 flat angles P-C4'-P energy: -52.542 tors. eta vs tors. theta energy: -99.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -982.951154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.951154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.951154 (E_RNA) where: Base-Base interactions energy: -613.574 where: short stacking energy: -280.460 Base-Backbone interact. energy: -3.326 local terms energy: -366.051655 where: bonds (distance) C4'-P energy: -83.713 bonds (distance) P-C4' energy: -92.440 flat angles C4'-P-C4' energy: -82.631 flat angles P-C4'-P energy: -53.045 tors. eta vs tors. theta energy: -54.223 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: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -809.097874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.097874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.097874 (E_RNA) where: Base-Base interactions energy: -467.427 where: short stacking energy: -215.153 Base-Backbone interact. energy: 2.006 local terms energy: -343.677075 where: bonds (distance) C4'-P energy: -80.175 bonds (distance) P-C4' energy: -74.536 flat angles C4'-P-C4' energy: -89.434 flat angles P-C4'-P energy: -55.058 tors. eta vs tors. theta energy: -44.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -624.670599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.670599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.670599 (E_RNA) where: Base-Base interactions energy: -333.588 where: short stacking energy: -176.157 Base-Backbone interact. energy: -1.094 local terms energy: -289.988578 where: bonds (distance) C4'-P energy: -67.355 bonds (distance) P-C4' energy: -86.517 flat angles C4'-P-C4' energy: -69.469 flat angles P-C4'-P energy: -48.842 tors. eta vs tors. theta energy: -17.806 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: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -428.270834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.270834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.270834 (E_RNA) where: Base-Base interactions energy: -157.177 where: short stacking energy: -114.897 Base-Backbone interact. energy: 7.654 local terms energy: -278.747806 where: bonds (distance) C4'-P energy: -77.896 bonds (distance) P-C4' energy: -91.482 flat angles C4'-P-C4' energy: -74.760 flat angles P-C4'-P energy: -51.223 tors. eta vs tors. theta energy: 16.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -370.368005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.368005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.368005 (E_RNA) where: Base-Base interactions energy: -113.898 where: short stacking energy: -96.797 Base-Backbone interact. energy: 7.695 local terms energy: -264.164251 where: bonds (distance) C4'-P energy: -80.460 bonds (distance) P-C4' energy: -82.896 flat angles C4'-P-C4' energy: -76.472 flat angles P-C4'-P energy: -30.688 tors. eta vs tors. theta energy: 6.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1504.829672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.829672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.829672 (E_RNA) where: Base-Base interactions energy: -1021.134 where: short stacking energy: -453.161 Base-Backbone interact. energy: -4.126 local terms energy: -479.569486 where: bonds (distance) C4'-P energy: -89.700 bonds (distance) P-C4' energy: -100.989 flat angles C4'-P-C4' energy: -107.070 flat angles P-C4'-P energy: -58.072 tors. eta vs tors. theta energy: -123.739 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: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1480.594268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.594268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.594268 (E_RNA) where: Base-Base interactions energy: -995.703 where: short stacking energy: -425.037 Base-Backbone interact. energy: -2.473 local terms energy: -482.417772 where: bonds (distance) C4'-P energy: -99.699 bonds (distance) P-C4' energy: -86.326 flat angles C4'-P-C4' energy: -105.252 flat angles P-C4'-P energy: -69.161 tors. eta vs tors. theta energy: -121.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1377.003305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.003305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.003305 (E_RNA) where: Base-Base interactions energy: -887.094 where: short stacking energy: -423.038 Base-Backbone interact. energy: -1.101 local terms energy: -488.808100 where: bonds (distance) C4'-P energy: -89.760 bonds (distance) P-C4' energy: -97.920 flat angles C4'-P-C4' energy: -98.966 flat angles P-C4'-P energy: -70.694 tors. eta vs tors. theta energy: -131.467 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: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1196.638596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.638596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.638596 (E_RNA) where: Base-Base interactions energy: -765.453 where: short stacking energy: -366.907 Base-Backbone interact. energy: -0.186 local terms energy: -430.999502 where: bonds (distance) C4'-P energy: -83.288 bonds (distance) P-C4' energy: -89.053 flat angles C4'-P-C4' energy: -100.617 flat angles P-C4'-P energy: -47.483 tors. eta vs tors. theta energy: -110.559 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: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1178.583209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.583209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.583209 (E_RNA) where: Base-Base interactions energy: -755.119 where: short stacking energy: -334.716 Base-Backbone interact. energy: -0.860 local terms energy: -422.604145 where: bonds (distance) C4'-P energy: -91.647 bonds (distance) P-C4' energy: -87.371 flat angles C4'-P-C4' energy: -92.232 flat angles P-C4'-P energy: -59.658 tors. eta vs tors. theta energy: -91.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -961.176020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.176020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.176020 (E_RNA) where: Base-Base interactions energy: -597.877 where: short stacking energy: -281.685 Base-Backbone interact. energy: 0.367 local terms energy: -363.665760 where: bonds (distance) C4'-P energy: -93.575 bonds (distance) P-C4' energy: -78.110 flat angles C4'-P-C4' energy: -82.200 flat angles P-C4'-P energy: -49.416 tors. eta vs tors. theta energy: -60.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -814.895564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.895564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.895564 (E_RNA) where: Base-Base interactions energy: -477.565 where: short stacking energy: -240.146 Base-Backbone interact. energy: -2.097 local terms energy: -335.234008 where: bonds (distance) C4'-P energy: -82.139 bonds (distance) P-C4' energy: -94.826 flat angles C4'-P-C4' energy: -79.273 flat angles P-C4'-P energy: -48.272 tors. eta vs tors. theta energy: -30.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -681.136657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.136657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.136657 (E_RNA) where: Base-Base interactions energy: -358.206 where: short stacking energy: -197.672 Base-Backbone interact. energy: 0.479 local terms energy: -323.409326 where: bonds (distance) C4'-P energy: -80.500 bonds (distance) P-C4' energy: -90.519 flat angles C4'-P-C4' energy: -70.491 flat angles P-C4'-P energy: -58.249 tors. eta vs tors. theta energy: -23.650 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: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -417.784831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.784831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.784831 (E_RNA) where: Base-Base interactions energy: -154.846 where: short stacking energy: -129.889 Base-Backbone interact. energy: 7.161 local terms energy: -270.100303 where: bonds (distance) C4'-P energy: -93.413 bonds (distance) P-C4' energy: -75.153 flat angles C4'-P-C4' energy: -69.228 flat angles P-C4'-P energy: -38.097 tors. eta vs tors. theta energy: 5.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -360.339248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.339248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.339248 (E_RNA) where: Base-Base interactions energy: -125.114 where: short stacking energy: -97.444 Base-Backbone interact. energy: -4.189 local terms energy: -231.036079 where: bonds (distance) C4'-P energy: -81.797 bonds (distance) P-C4' energy: -72.982 flat angles C4'-P-C4' energy: -56.629 flat angles P-C4'-P energy: -19.297 tors. eta vs tors. theta energy: -0.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1534.966541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.966541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.966541 (E_RNA) where: Base-Base interactions energy: -1011.735 where: short stacking energy: -481.430 Base-Backbone interact. energy: -3.455 local terms energy: -519.777123 where: bonds (distance) C4'-P energy: -93.990 bonds (distance) P-C4' energy: -98.384 flat angles C4'-P-C4' energy: -115.954 flat angles P-C4'-P energy: -70.007 tors. eta vs tors. theta energy: -141.442 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: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1456.847486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.847486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.847486 (E_RNA) where: Base-Base interactions energy: -974.583 where: short stacking energy: -422.598 Base-Backbone interact. energy: -6.260 local terms energy: -476.004909 where: bonds (distance) C4'-P energy: -94.747 bonds (distance) P-C4' energy: -86.079 flat angles C4'-P-C4' energy: -104.215 flat angles P-C4'-P energy: -72.754 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: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1397.238776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.238776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.238776 (E_RNA) where: Base-Base interactions energy: -924.190 where: short stacking energy: -427.194 Base-Backbone interact. energy: -4.421 local terms energy: -468.628167 where: bonds (distance) C4'-P energy: -81.109 bonds (distance) P-C4' energy: -88.711 flat angles C4'-P-C4' energy: -99.195 flat angles P-C4'-P energy: -65.005 tors. eta vs tors. theta energy: -134.607 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: 333 Temperature: 1.050000 Total energy: -1189.970268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.970268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.970268 (E_RNA) where: Base-Base interactions energy: -762.667 where: short stacking energy: -379.592 Base-Backbone interact. energy: 0.206 local terms energy: -427.509173 where: bonds (distance) C4'-P energy: -84.546 bonds (distance) P-C4' energy: -88.294 flat angles C4'-P-C4' energy: -99.284 flat angles P-C4'-P energy: -48.417 tors. eta vs tors. theta energy: -106.968 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: 10 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1197.273386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.273386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.273386 (E_RNA) where: Base-Base interactions energy: -785.191 where: short stacking energy: -367.729 Base-Backbone interact. energy: -2.589 local terms energy: -409.493335 where: bonds (distance) C4'-P energy: -86.483 bonds (distance) P-C4' energy: -74.519 flat angles C4'-P-C4' energy: -85.525 flat angles P-C4'-P energy: -63.701 tors. eta vs tors. theta energy: -99.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -946.760529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.760529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.760529 (E_RNA) where: Base-Base interactions energy: -605.972 where: short stacking energy: -282.261 Base-Backbone interact. energy: -3.549 local terms energy: -337.239348 where: bonds (distance) C4'-P energy: -63.833 bonds (distance) P-C4' energy: -87.434 flat angles C4'-P-C4' energy: -88.493 flat angles P-C4'-P energy: -54.826 tors. eta vs tors. theta energy: -42.653 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: 3 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -832.847382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.847382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.847382 (E_RNA) where: Base-Base interactions energy: -513.322 where: short stacking energy: -243.225 Base-Backbone interact. energy: -2.326 local terms energy: -317.199774 where: bonds (distance) C4'-P energy: -69.646 bonds (distance) P-C4' energy: -85.198 flat angles C4'-P-C4' energy: -80.852 flat angles P-C4'-P energy: -51.038 tors. eta vs tors. theta energy: -30.466 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: 1 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -631.424810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.424810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.424810 (E_RNA) where: Base-Base interactions energy: -307.281 where: short stacking energy: -180.617 Base-Backbone interact. energy: 1.474 local terms energy: -325.618447 where: bonds (distance) C4'-P energy: -89.806 bonds (distance) P-C4' energy: -94.234 flat angles C4'-P-C4' energy: -71.772 flat angles P-C4'-P energy: -41.938 tors. eta vs tors. theta energy: -27.869 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: 333 Temperature: 1.300000 Total energy: -401.942621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.942621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.942621 (E_RNA) where: Base-Base interactions energy: -136.513 where: short stacking energy: -118.198 Base-Backbone interact. energy: 1.589 local terms energy: -267.018342 where: bonds (distance) C4'-P energy: -64.914 bonds (distance) P-C4' energy: -85.348 flat angles C4'-P-C4' energy: -77.671 flat angles P-C4'-P energy: -39.992 tors. eta vs tors. theta energy: 0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -382.999856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.999856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.999856 (E_RNA) where: Base-Base interactions energy: -140.753 where: short stacking energy: -100.243 Base-Backbone interact. energy: 0.216 local terms energy: -242.462277 where: bonds (distance) C4'-P energy: -57.585 bonds (distance) P-C4' energy: -82.287 flat angles C4'-P-C4' energy: -61.735 flat angles P-C4'-P energy: -50.735 tors. eta vs tors. theta energy: 9.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1506.971932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.971932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.971932 (E_RNA) where: Base-Base interactions energy: -1004.961 where: short stacking energy: -454.266 Base-Backbone interact. energy: -4.326 local terms energy: -497.685501 where: bonds (distance) C4'-P energy: -90.499 bonds (distance) P-C4' energy: -92.683 flat angles C4'-P-C4' energy: -113.783 flat angles P-C4'-P energy: -72.325 tors. eta vs tors. theta energy: -128.395 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: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1528.904426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.904426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.904426 (E_RNA) where: Base-Base interactions energy: -1027.445 where: short stacking energy: -465.107 Base-Backbone interact. energy: -4.534 local terms energy: -496.925506 where: bonds (distance) C4'-P energy: -87.634 bonds (distance) P-C4' energy: -94.248 flat angles C4'-P-C4' energy: -107.666 flat angles P-C4'-P energy: -71.174 tors. eta vs tors. theta energy: -136.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1405.311574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.311574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.311574 (E_RNA) where: Base-Base interactions energy: -907.897 where: short stacking energy: -402.547 Base-Backbone interact. energy: -2.544 local terms energy: -494.869679 where: bonds (distance) C4'-P energy: -104.426 bonds (distance) P-C4' energy: -101.210 flat angles C4'-P-C4' energy: -93.805 flat angles P-C4'-P energy: -65.728 tors. eta vs tors. theta energy: -129.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1200.972053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.972053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.972053 (E_RNA) where: Base-Base interactions energy: -780.287 where: short stacking energy: -358.517 Base-Backbone interact. energy: -0.836 local terms energy: -419.849165 where: bonds (distance) C4'-P energy: -82.079 bonds (distance) P-C4' energy: -80.617 flat angles C4'-P-C4' energy: -109.231 flat angles P-C4'-P energy: -55.963 tors. eta vs tors. theta energy: -91.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1179.463593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.463593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.463593 (E_RNA) where: Base-Base interactions energy: -760.386 where: short stacking energy: -356.302 Base-Backbone interact. energy: -0.871 local terms energy: -418.206063 where: bonds (distance) C4'-P energy: -84.823 bonds (distance) P-C4' energy: -98.457 flat angles C4'-P-C4' energy: -81.717 flat angles P-C4'-P energy: -56.427 tors. eta vs tors. theta energy: -96.782 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: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -963.573638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.573638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.573638 (E_RNA) where: Base-Base interactions energy: -590.486 where: short stacking energy: -264.377 Base-Backbone interact. energy: -0.958 local terms energy: -372.130011 where: bonds (distance) C4'-P energy: -89.422 bonds (distance) P-C4' energy: -86.046 flat angles C4'-P-C4' energy: -84.725 flat angles P-C4'-P energy: -50.242 tors. eta vs tors. theta energy: -61.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -789.902496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.902496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.902496 (E_RNA) where: Base-Base interactions energy: -455.760 where: short stacking energy: -226.696 Base-Backbone interact. energy: -0.948 local terms energy: -333.194560 where: bonds (distance) C4'-P energy: -86.404 bonds (distance) P-C4' energy: -88.681 flat angles C4'-P-C4' energy: -81.682 flat angles P-C4'-P energy: -41.837 tors. eta vs tors. theta energy: -34.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -687.985761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.985761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.985761 (E_RNA) where: Base-Base interactions energy: -363.432 where: short stacking energy: -222.478 Base-Backbone interact. energy: 2.683 local terms energy: -327.236141 where: bonds (distance) C4'-P energy: -90.970 bonds (distance) P-C4' energy: -82.162 flat angles C4'-P-C4' energy: -85.377 flat angles P-C4'-P energy: -43.192 tors. eta vs tors. theta energy: -25.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -404.916869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.916869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.916869 (E_RNA) where: Base-Base interactions energy: -184.337 where: short stacking energy: -136.726 Base-Backbone interact. energy: 3.133 local terms energy: -223.712995 where: bonds (distance) C4'-P energy: -63.169 bonds (distance) P-C4' energy: -82.381 flat angles C4'-P-C4' energy: -60.144 flat angles P-C4'-P energy: -32.982 tors. eta vs tors. theta energy: 14.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -376.980692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.980692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.980692 (E_RNA) where: Base-Base interactions energy: -151.109 where: short stacking energy: -131.897 Base-Backbone interact. energy: 1.024 local terms energy: -226.895523 where: bonds (distance) C4'-P energy: -71.456 bonds (distance) P-C4' energy: -77.435 flat angles C4'-P-C4' energy: -69.189 flat angles P-C4'-P energy: -21.231 tors. eta vs tors. theta energy: 12.415 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: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1514.846254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.846254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.846254 (E_RNA) where: Base-Base interactions energy: -1017.469 where: short stacking energy: -453.859 Base-Backbone interact. energy: -4.507 local terms energy: -492.870209 where: bonds (distance) C4'-P energy: -86.867 bonds (distance) P-C4' energy: -99.896 flat angles C4'-P-C4' energy: -105.649 flat angles P-C4'-P energy: -76.203 tors. eta vs tors. theta energy: -124.255 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: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1505.257599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.257599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.257599 (E_RNA) where: Base-Base interactions energy: -1025.288 where: short stacking energy: -450.316 Base-Backbone interact. energy: -4.037 local terms energy: -475.932734 where: bonds (distance) C4'-P energy: -87.123 bonds (distance) P-C4' energy: -88.596 flat angles C4'-P-C4' energy: -104.072 flat angles P-C4'-P energy: -57.531 tors. eta vs tors. theta energy: -138.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1387.337820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.337820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.337820 (E_RNA) where: Base-Base interactions energy: -906.762 where: short stacking energy: -429.711 Base-Backbone interact. energy: -3.011 local terms energy: -477.565200 where: bonds (distance) C4'-P energy: -84.121 bonds (distance) P-C4' energy: -88.027 flat angles C4'-P-C4' energy: -102.362 flat angles P-C4'-P energy: -72.428 tors. eta vs tors. theta energy: -130.627 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: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1190.137550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.137550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.137550 (E_RNA) where: Base-Base interactions energy: -754.100 where: short stacking energy: -360.061 Base-Backbone interact. energy: -1.518 local terms energy: -434.519212 where: bonds (distance) C4'-P energy: -92.521 bonds (distance) P-C4' energy: -88.392 flat angles C4'-P-C4' energy: -103.319 flat angles P-C4'-P energy: -63.574 tors. eta vs tors. theta energy: -86.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1126.906289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.906289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.906289 (E_RNA) where: Base-Base interactions energy: -687.373 where: short stacking energy: -343.509 Base-Backbone interact. energy: -0.697 local terms energy: -438.836337 where: bonds (distance) C4'-P energy: -90.175 bonds (distance) P-C4' energy: -99.600 flat angles C4'-P-C4' energy: -95.118 flat angles P-C4'-P energy: -66.626 tors. eta vs tors. theta energy: -87.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -992.806554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.806554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.806554 (E_RNA) where: Base-Base interactions energy: -618.949 where: short stacking energy: -287.329 Base-Backbone interact. energy: -2.919 local terms energy: -370.938717 where: bonds (distance) C4'-P energy: -75.463 bonds (distance) P-C4' energy: -89.717 flat angles C4'-P-C4' energy: -95.414 flat angles P-C4'-P energy: -46.637 tors. eta vs tors. theta energy: -63.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -799.287298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.287298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.287298 (E_RNA) where: Base-Base interactions energy: -469.655 where: short stacking energy: -240.202 Base-Backbone interact. energy: -1.266 local terms energy: -328.366109 where: bonds (distance) C4'-P energy: -80.927 bonds (distance) P-C4' energy: -83.687 flat angles C4'-P-C4' energy: -73.303 flat angles P-C4'-P energy: -49.986 tors. eta vs tors. theta energy: -40.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -648.030148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.030148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.030148 (E_RNA) where: Base-Base interactions energy: -320.230 where: short stacking energy: -181.448 Base-Backbone interact. energy: -0.484 local terms energy: -327.315653 where: bonds (distance) C4'-P energy: -78.830 bonds (distance) P-C4' energy: -84.201 flat angles C4'-P-C4' energy: -77.713 flat angles P-C4'-P energy: -62.810 tors. eta vs tors. theta energy: -23.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -414.865356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.865356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.865356 (E_RNA) where: Base-Base interactions energy: -140.395 where: short stacking energy: -121.572 Base-Backbone interact. energy: -2.025 local terms energy: -272.445008 where: bonds (distance) C4'-P energy: -90.249 bonds (distance) P-C4' energy: -96.215 flat angles C4'-P-C4' energy: -73.574 flat angles P-C4'-P energy: -35.667 tors. eta vs tors. theta energy: 23.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -383.000486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.000486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.000486 (E_RNA) where: Base-Base interactions energy: -143.196 where: short stacking energy: -118.815 Base-Backbone interact. energy: 1.715 local terms energy: -241.519237 where: bonds (distance) C4'-P energy: -72.913 bonds (distance) P-C4' energy: -79.722 flat angles C4'-P-C4' energy: -56.992 flat angles P-C4'-P energy: -50.284 tors. eta vs tors. theta energy: 18.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1546.962775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.962775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.962775 (E_RNA) where: Base-Base interactions energy: -1048.336 where: short stacking energy: -441.664 Base-Backbone interact. energy: -3.636 local terms energy: -494.990652 where: bonds (distance) C4'-P energy: -95.391 bonds (distance) P-C4' energy: -95.925 flat angles C4'-P-C4' energy: -103.116 flat angles P-C4'-P energy: -74.617 tors. eta vs tors. theta energy: -125.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1513.317931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.317931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.317931 (E_RNA) where: Base-Base interactions energy: -1028.600 where: short stacking energy: -445.501 Base-Backbone interact. energy: -5.056 local terms energy: -479.662609 where: bonds (distance) C4'-P energy: -82.023 bonds (distance) P-C4' energy: -99.072 flat angles C4'-P-C4' energy: -101.983 flat angles P-C4'-P energy: -64.665 tors. eta vs tors. theta energy: -131.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1351.634638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.634638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.634638 (E_RNA) where: Base-Base interactions energy: -895.195 where: short stacking energy: -403.150 Base-Backbone interact. energy: -1.674 local terms energy: -454.765775 where: bonds (distance) C4'-P energy: -80.294 bonds (distance) P-C4' energy: -99.610 flat angles C4'-P-C4' energy: -99.566 flat angles P-C4'-P energy: -69.804 tors. eta vs tors. theta energy: -105.492 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: 4, replica: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1248.071167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.071167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.071167 (E_RNA) where: Base-Base interactions energy: -801.249 where: short stacking energy: -389.382 Base-Backbone interact. energy: 4.529 local terms energy: -451.351353 where: bonds (distance) C4'-P energy: -91.780 bonds (distance) P-C4' energy: -94.740 flat angles C4'-P-C4' energy: -86.925 flat angles P-C4'-P energy: -62.330 tors. eta vs tors. theta energy: -115.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1073.995851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.995851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.995851 (E_RNA) where: Base-Base interactions energy: -678.564 where: short stacking energy: -315.921 Base-Backbone interact. energy: -0.493 local terms energy: -394.938969 where: bonds (distance) C4'-P energy: -90.150 bonds (distance) P-C4' energy: -89.133 flat angles C4'-P-C4' energy: -85.886 flat angles P-C4'-P energy: -41.063 tors. eta vs tors. theta energy: -88.707 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: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -934.125720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.125720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.125720 (E_RNA) where: Base-Base interactions energy: -556.969 where: short stacking energy: -257.792 Base-Backbone interact. energy: 0.840 local terms energy: -377.996534 where: bonds (distance) C4'-P energy: -74.925 bonds (distance) P-C4' energy: -87.516 flat angles C4'-P-C4' energy: -101.246 flat angles P-C4'-P energy: -53.285 tors. eta vs tors. theta energy: -61.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -813.621979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.621979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.621979 (E_RNA) where: Base-Base interactions energy: -442.255 where: short stacking energy: -211.206 Base-Backbone interact. energy: 2.649 local terms energy: -374.016191 where: bonds (distance) C4'-P energy: -92.186 bonds (distance) P-C4' energy: -97.512 flat angles C4'-P-C4' energy: -85.976 flat angles P-C4'-P energy: -52.376 tors. eta vs tors. theta energy: -45.967 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: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -655.206846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.206846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.206846 (E_RNA) where: Base-Base interactions energy: -344.171 where: short stacking energy: -179.008 Base-Backbone interact. energy: 2.974 local terms energy: -314.010440 where: bonds (distance) C4'-P energy: -73.387 bonds (distance) P-C4' energy: -88.467 flat angles C4'-P-C4' energy: -84.122 flat angles P-C4'-P energy: -41.208 tors. eta vs tors. theta energy: -26.826 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: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -435.680656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.680656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.680656 (E_RNA) where: Base-Base interactions energy: -174.774 where: short stacking energy: -127.313 Base-Backbone interact. energy: 1.118 local terms energy: -262.025116 where: bonds (distance) C4'-P energy: -69.235 bonds (distance) P-C4' energy: -81.760 flat angles C4'-P-C4' energy: -74.701 flat angles P-C4'-P energy: -50.491 tors. eta vs tors. theta energy: 14.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -391.260149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.260149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.260149 (E_RNA) where: Base-Base interactions energy: -147.775 where: short stacking energy: -122.461 Base-Backbone interact. energy: 1.841 local terms energy: -245.326054 where: bonds (distance) C4'-P energy: -73.180 bonds (distance) P-C4' energy: -77.044 flat angles C4'-P-C4' energy: -64.737 flat angles P-C4'-P energy: -38.318 tors. eta vs tors. theta energy: 7.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1544.997660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.997660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.997660 (E_RNA) where: Base-Base interactions energy: -1048.023 where: short stacking energy: -444.853 Base-Backbone interact. energy: -6.038 local terms energy: -490.936435 where: bonds (distance) C4'-P energy: -93.054 bonds (distance) P-C4' energy: -99.695 flat angles C4'-P-C4' energy: -109.511 flat angles P-C4'-P energy: -71.835 tors. eta vs tors. theta energy: -116.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1529.123327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.123327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.123327 (E_RNA) where: Base-Base interactions energy: -1037.388 where: short stacking energy: -444.303 Base-Backbone interact. energy: -2.210 local terms energy: -489.525606 where: bonds (distance) C4'-P energy: -91.222 bonds (distance) P-C4' energy: -90.952 flat angles C4'-P-C4' energy: -101.130 flat angles P-C4'-P energy: -70.818 tors. eta vs tors. theta energy: -135.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1326.569008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.569008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.569008 (E_RNA) where: Base-Base interactions energy: -874.012 where: short stacking energy: -379.399 Base-Backbone interact. energy: -1.672 local terms energy: -450.885037 where: bonds (distance) C4'-P energy: -92.986 bonds (distance) P-C4' energy: -95.583 flat angles C4'-P-C4' energy: -96.695 flat angles P-C4'-P energy: -56.136 tors. eta vs tors. theta energy: -109.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1198.832229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.832229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.832229 (E_RNA) where: Base-Base interactions energy: -776.715 where: short stacking energy: -362.194 Base-Backbone interact. energy: -3.455 local terms energy: -418.661832 where: bonds (distance) C4'-P energy: -82.052 bonds (distance) P-C4' energy: -85.019 flat angles C4'-P-C4' energy: -100.112 flat angles P-C4'-P energy: -64.367 tors. eta vs tors. theta energy: -87.112 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: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1099.043654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.043654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.043654 (E_RNA) where: Base-Base interactions energy: -671.631 where: short stacking energy: -311.943 Base-Backbone interact. energy: 0.477 local terms energy: -427.889085 where: bonds (distance) C4'-P energy: -99.311 bonds (distance) P-C4' energy: -94.332 flat angles C4'-P-C4' energy: -97.630 flat angles P-C4'-P energy: -56.633 tors. eta vs tors. theta energy: -79.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -993.796409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.796409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.796409 (E_RNA) where: Base-Base interactions energy: -609.097 where: short stacking energy: -285.808 Base-Backbone interact. energy: -2.702 local terms energy: -381.997968 where: bonds (distance) C4'-P energy: -76.931 bonds (distance) P-C4' energy: -94.103 flat angles C4'-P-C4' energy: -91.779 flat angles P-C4'-P energy: -52.287 tors. eta vs tors. theta energy: -66.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -814.224675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.224675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.224675 (E_RNA) where: Base-Base interactions energy: -478.629 where: short stacking energy: -249.383 Base-Backbone interact. energy: -0.873 local terms energy: -334.722529 where: bonds (distance) C4'-P energy: -85.281 bonds (distance) P-C4' energy: -80.697 flat angles C4'-P-C4' energy: -73.245 flat angles P-C4'-P energy: -51.072 tors. eta vs tors. theta energy: -44.427 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: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -709.206567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.206567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.206567 (E_RNA) where: Base-Base interactions energy: -397.249 where: short stacking energy: -236.605 Base-Backbone interact. energy: -0.826 local terms energy: -311.132006 where: bonds (distance) C4'-P energy: -58.900 bonds (distance) P-C4' energy: -86.016 flat angles C4'-P-C4' energy: -90.530 flat angles P-C4'-P energy: -38.053 tors. eta vs tors. theta energy: -37.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -408.662891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.662891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.662891 (E_RNA) where: Base-Base interactions energy: -134.198 where: short stacking energy: -126.918 Base-Backbone interact. energy: -1.252 local terms energy: -273.212471 where: bonds (distance) C4'-P energy: -85.655 bonds (distance) P-C4' energy: -91.238 flat angles C4'-P-C4' energy: -60.999 flat angles P-C4'-P energy: -38.634 tors. eta vs tors. theta energy: 3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -391.329869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.329869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.329869 (E_RNA) where: Base-Base interactions energy: -138.920 where: short stacking energy: -126.654 Base-Backbone interact. energy: 2.462 local terms energy: -254.871845 where: bonds (distance) C4'-P energy: -67.631 bonds (distance) P-C4' energy: -87.512 flat angles C4'-P-C4' energy: -69.163 flat angles P-C4'-P energy: -39.888 tors. eta vs tors. theta energy: 9.322 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: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1550.100870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.100870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.100870 (E_RNA) where: Base-Base interactions energy: -1039.503 where: short stacking energy: -455.425 Base-Backbone interact. energy: -2.690 local terms energy: -507.907965 where: bonds (distance) C4'-P energy: -88.341 bonds (distance) P-C4' energy: -97.291 flat angles C4'-P-C4' energy: -112.797 flat angles P-C4'-P energy: -73.259 tors. eta vs tors. theta energy: -136.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1499.369536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.369536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.369536 (E_RNA) where: Base-Base interactions energy: -989.037 where: short stacking energy: -439.458 Base-Backbone interact. energy: -3.556 local terms energy: -506.776728 where: bonds (distance) C4'-P energy: -98.973 bonds (distance) P-C4' energy: -100.448 flat angles C4'-P-C4' energy: -104.813 flat angles P-C4'-P energy: -65.181 tors. eta vs tors. theta energy: -137.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1391.321035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.321035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.321035 (E_RNA) where: Base-Base interactions energy: -929.151 where: short stacking energy: -422.459 Base-Backbone interact. energy: -0.487 local terms energy: -461.683052 where: bonds (distance) C4'-P energy: -86.037 bonds (distance) P-C4' energy: -90.192 flat angles C4'-P-C4' energy: -103.675 flat angles P-C4'-P energy: -62.434 tors. eta vs tors. theta energy: -119.346 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: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1262.200217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.200217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.200217 (E_RNA) where: Base-Base interactions energy: -841.316 where: short stacking energy: -390.778 Base-Backbone interact. energy: 4.748 local terms energy: -425.632206 where: bonds (distance) C4'-P energy: -78.728 bonds (distance) P-C4' energy: -84.925 flat angles C4'-P-C4' energy: -92.352 flat angles P-C4'-P energy: -62.028 tors. eta vs tors. theta energy: -107.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1113.192863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.192863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.192863 (E_RNA) where: Base-Base interactions energy: -688.106 where: short stacking energy: -318.385 Base-Backbone interact. energy: -0.309 local terms energy: -424.778645 where: bonds (distance) C4'-P energy: -93.599 bonds (distance) P-C4' energy: -80.186 flat angles C4'-P-C4' energy: -91.661 flat angles P-C4'-P energy: -71.419 tors. eta vs tors. theta energy: -87.914 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: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -973.796404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.796404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.796404 (E_RNA) where: Base-Base interactions energy: -612.950 where: short stacking energy: -282.469 Base-Backbone interact. energy: -0.391 local terms energy: -360.454947 where: bonds (distance) C4'-P energy: -81.232 bonds (distance) P-C4' energy: -94.524 flat angles C4'-P-C4' energy: -73.454 flat angles P-C4'-P energy: -43.725 tors. eta vs tors. theta energy: -67.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -804.134590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.134590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.134590 (E_RNA) where: Base-Base interactions energy: -462.847 where: short stacking energy: -228.665 Base-Backbone interact. energy: 9.322 local terms energy: -350.609517 where: bonds (distance) C4'-P energy: -91.365 bonds (distance) P-C4' energy: -84.974 flat angles C4'-P-C4' energy: -88.470 flat angles P-C4'-P energy: -50.812 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: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -694.777997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.777997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.777997 (E_RNA) where: Base-Base interactions energy: -381.853 where: short stacking energy: -194.998 Base-Backbone interact. energy: 0.020 local terms energy: -312.945332 where: bonds (distance) C4'-P energy: -77.838 bonds (distance) P-C4' energy: -90.094 flat angles C4'-P-C4' energy: -73.308 flat angles P-C4'-P energy: -56.093 tors. eta vs tors. theta energy: -15.613 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: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -454.902307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.902307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.902307 (E_RNA) where: Base-Base interactions energy: -179.668 where: short stacking energy: -150.608 Base-Backbone interact. energy: -1.138 local terms energy: -274.096554 where: bonds (distance) C4'-P energy: -77.335 bonds (distance) P-C4' energy: -88.943 flat angles C4'-P-C4' energy: -63.562 flat angles P-C4'-P energy: -41.162 tors. eta vs tors. theta energy: -3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -369.219114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.219114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.219114 (E_RNA) where: Base-Base interactions energy: -115.977 where: short stacking energy: -100.939 Base-Backbone interact. energy: 1.296 local terms energy: -254.537586 where: bonds (distance) C4'-P energy: -83.722 bonds (distance) P-C4' energy: -94.382 flat angles C4'-P-C4' energy: -61.817 flat angles P-C4'-P energy: -31.943 tors. eta vs tors. theta energy: 17.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1519.351062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.351062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.351062 (E_RNA) where: Base-Base interactions energy: -1022.187 where: short stacking energy: -440.771 Base-Backbone interact. energy: -1.372 local terms energy: -495.791975 where: bonds (distance) C4'-P energy: -86.414 bonds (distance) P-C4' energy: -100.243 flat angles C4'-P-C4' energy: -108.285 flat angles P-C4'-P energy: -70.989 tors. eta vs tors. theta energy: -129.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1498.841738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.841738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.841738 (E_RNA) where: Base-Base interactions energy: -996.222 where: short stacking energy: -408.381 Base-Backbone interact. energy: -3.300 local terms energy: -499.319692 where: bonds (distance) C4'-P energy: -99.210 bonds (distance) P-C4' energy: -103.596 flat angles C4'-P-C4' energy: -106.452 flat angles P-C4'-P energy: -63.756 tors. eta vs tors. theta energy: -126.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1364.001135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.001135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.001135 (E_RNA) where: Base-Base interactions energy: -903.907 where: short stacking energy: -421.188 Base-Backbone interact. energy: -0.549 local terms energy: -459.545072 where: bonds (distance) C4'-P energy: -81.727 bonds (distance) P-C4' energy: -89.248 flat angles C4'-P-C4' energy: -101.707 flat angles P-C4'-P energy: -68.232 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: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1286.053161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.053161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.053161 (E_RNA) where: Base-Base interactions energy: -831.831 where: short stacking energy: -378.495 Base-Backbone interact. energy: -2.799 local terms energy: -451.423326 where: bonds (distance) C4'-P energy: -88.455 bonds (distance) P-C4' energy: -88.833 flat angles C4'-P-C4' energy: -96.304 flat angles P-C4'-P energy: -69.688 tors. eta vs tors. theta energy: -108.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1115.289662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.289662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.289662 (E_RNA) where: Base-Base interactions energy: -706.446 where: short stacking energy: -318.088 Base-Backbone interact. energy: -1.477 local terms energy: -407.367140 where: bonds (distance) C4'-P energy: -79.878 bonds (distance) P-C4' energy: -88.665 flat angles C4'-P-C4' energy: -97.718 flat angles P-C4'-P energy: -53.928 tors. eta vs tors. theta energy: -87.178 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: 7 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -992.708608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.708608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.708608 (E_RNA) where: Base-Base interactions energy: -623.083 where: short stacking energy: -280.133 Base-Backbone interact. energy: 3.083 local terms energy: -372.708738 where: bonds (distance) C4'-P energy: -87.340 bonds (distance) P-C4' energy: -91.646 flat angles C4'-P-C4' energy: -69.564 flat angles P-C4'-P energy: -61.751 tors. eta vs tors. theta energy: -62.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -780.108440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.108440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.108440 (E_RNA) where: Base-Base interactions energy: -458.864 where: short stacking energy: -234.373 Base-Backbone interact. energy: 0.717 local terms energy: -321.961196 where: bonds (distance) C4'-P energy: -80.514 bonds (distance) P-C4' energy: -80.792 flat angles C4'-P-C4' energy: -77.307 flat angles P-C4'-P energy: -40.129 tors. eta vs tors. theta energy: -43.219 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: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -680.710718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.710718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.710718 (E_RNA) where: Base-Base interactions energy: -371.362 where: short stacking energy: -226.144 Base-Backbone interact. energy: -0.349 local terms energy: -308.999828 where: bonds (distance) C4'-P energy: -60.434 bonds (distance) P-C4' energy: -82.106 flat angles C4'-P-C4' energy: -86.038 flat angles P-C4'-P energy: -44.506 tors. eta vs tors. theta energy: -35.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -416.300212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.300212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.300212 (E_RNA) where: Base-Base interactions energy: -139.226 where: short stacking energy: -105.673 Base-Backbone interact. energy: -2.401 local terms energy: -274.672549 where: bonds (distance) C4'-P energy: -87.402 bonds (distance) P-C4' energy: -82.439 flat angles C4'-P-C4' energy: -62.588 flat angles P-C4'-P energy: -49.363 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: 5 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -371.988595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.988595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.988595 (E_RNA) where: Base-Base interactions energy: -135.674 where: short stacking energy: -97.878 Base-Backbone interact. energy: -1.724 local terms energy: -234.589780 where: bonds (distance) C4'-P energy: -63.919 bonds (distance) P-C4' energy: -85.421 flat angles C4'-P-C4' energy: -64.315 flat angles P-C4'-P energy: -43.367 tors. eta vs tors. theta energy: 22.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1513.218858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.218858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.218858 (E_RNA) where: Base-Base interactions energy: -1006.751 where: short stacking energy: -445.701 Base-Backbone interact. energy: -1.470 local terms energy: -504.997116 where: bonds (distance) C4'-P energy: -91.242 bonds (distance) P-C4' energy: -98.467 flat angles C4'-P-C4' energy: -118.946 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -123.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1509.010398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.010398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.010398 (E_RNA) where: Base-Base interactions energy: -1033.561 where: short stacking energy: -450.609 Base-Backbone interact. energy: -2.884 local terms energy: -472.566050 where: bonds (distance) C4'-P energy: -87.042 bonds (distance) P-C4' energy: -89.412 flat angles C4'-P-C4' energy: -105.673 flat angles P-C4'-P energy: -64.905 tors. eta vs tors. theta energy: -125.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1386.104474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.104474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.104474 (E_RNA) where: Base-Base interactions energy: -917.835 where: short stacking energy: -426.625 Base-Backbone interact. energy: -2.099 local terms energy: -466.169761 where: bonds (distance) C4'-P energy: -88.703 bonds (distance) P-C4' energy: -93.402 flat angles C4'-P-C4' energy: -102.350 flat angles P-C4'-P energy: -66.599 tors. eta vs tors. theta energy: -115.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1273.027559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.027559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.027559 (E_RNA) where: Base-Base interactions energy: -826.579 where: short stacking energy: -403.979 Base-Backbone interact. energy: -0.821 local terms energy: -445.627728 where: bonds (distance) C4'-P energy: -103.676 bonds (distance) P-C4' energy: -74.252 flat angles C4'-P-C4' energy: -84.568 flat angles P-C4'-P energy: -66.153 tors. eta vs tors. theta energy: -116.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1105.711420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.711420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.711420 (E_RNA) where: Base-Base interactions energy: -697.308 where: short stacking energy: -312.893 Base-Backbone interact. energy: 0.812 local terms energy: -409.215416 where: bonds (distance) C4'-P energy: -79.788 bonds (distance) P-C4' energy: -85.230 flat angles C4'-P-C4' energy: -103.271 flat angles P-C4'-P energy: -58.932 tors. eta vs tors. theta energy: -81.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -973.276951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.276951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.276951 (E_RNA) where: Base-Base interactions energy: -626.420 where: short stacking energy: -273.297 Base-Backbone interact. energy: 2.056 local terms energy: -348.913067 where: bonds (distance) C4'-P energy: -78.728 bonds (distance) P-C4' energy: -91.091 flat angles C4'-P-C4' energy: -84.198 flat angles P-C4'-P energy: -43.666 tors. eta vs tors. theta energy: -51.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -800.310096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.310096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.310096 (E_RNA) where: Base-Base interactions energy: -473.794 where: short stacking energy: -219.653 Base-Backbone interact. energy: -1.791 local terms energy: -324.725578 where: bonds (distance) C4'-P energy: -76.339 bonds (distance) P-C4' energy: -81.300 flat angles C4'-P-C4' energy: -74.523 flat angles P-C4'-P energy: -52.430 tors. eta vs tors. theta energy: -40.134 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: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -771.653190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.653190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.653190 (E_RNA) where: Base-Base interactions energy: -446.161 where: short stacking energy: -239.162 Base-Backbone interact. energy: 0.925 local terms energy: -326.417305 where: bonds (distance) C4'-P energy: -75.926 bonds (distance) P-C4' energy: -86.119 flat angles C4'-P-C4' energy: -81.191 flat angles P-C4'-P energy: -40.038 tors. eta vs tors. theta energy: -43.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -413.886897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.886897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.886897 (E_RNA) where: Base-Base interactions energy: -135.311 where: short stacking energy: -116.371 Base-Backbone interact. energy: 3.464 local terms energy: -282.040227 where: bonds (distance) C4'-P energy: -82.023 bonds (distance) P-C4' energy: -67.416 flat angles C4'-P-C4' energy: -82.865 flat angles P-C4'-P energy: -55.347 tors. eta vs tors. theta energy: 5.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -379.045323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.045323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.045323 (E_RNA) where: Base-Base interactions energy: -129.094 where: short stacking energy: -117.465 Base-Backbone interact. energy: 0.422 local terms energy: -250.373536 where: bonds (distance) C4'-P energy: -84.540 bonds (distance) P-C4' energy: -68.248 flat angles C4'-P-C4' energy: -69.765 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: 20.914 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: 1, replica: 6 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1538.094468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.094468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.094468 (E_RNA) where: Base-Base interactions energy: -1028.367 where: short stacking energy: -445.638 Base-Backbone interact. energy: -6.685 local terms energy: -503.042017 where: bonds (distance) C4'-P energy: -101.184 bonds (distance) P-C4' energy: -96.691 flat angles C4'-P-C4' energy: -105.678 flat angles P-C4'-P energy: -65.037 tors. eta vs tors. theta energy: -134.453 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: 8 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1484.348138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.348138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.348138 (E_RNA) where: Base-Base interactions energy: -1005.079 where: short stacking energy: -444.250 Base-Backbone interact. energy: -2.667 local terms energy: -476.602004 where: bonds (distance) C4'-P energy: -82.844 bonds (distance) P-C4' energy: -94.941 flat angles C4'-P-C4' energy: -104.950 flat angles P-C4'-P energy: -60.074 tors. eta vs tors. theta energy: -133.793 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: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1396.293543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.293543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.293543 (E_RNA) where: Base-Base interactions energy: -905.685 where: short stacking energy: -437.696 Base-Backbone interact. energy: -2.480 local terms energy: -488.128375 where: bonds (distance) C4'-P energy: -89.489 bonds (distance) P-C4' energy: -90.254 flat angles C4'-P-C4' energy: -104.283 flat angles P-C4'-P energy: -72.921 tors. eta vs tors. theta energy: -131.181 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: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1209.062343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.062343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.062343 (E_RNA) where: Base-Base interactions energy: -775.509 where: short stacking energy: -356.664 Base-Backbone interact. energy: -0.522 local terms energy: -433.031262 where: bonds (distance) C4'-P energy: -80.170 bonds (distance) P-C4' energy: -87.098 flat angles C4'-P-C4' energy: -89.931 flat angles P-C4'-P energy: -73.061 tors. eta vs tors. theta energy: -102.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1113.256109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.256109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.256109 (E_RNA) where: Base-Base interactions energy: -714.128 where: short stacking energy: -318.938 Base-Backbone interact. energy: -2.386 local terms energy: -396.742089 where: bonds (distance) C4'-P energy: -97.134 bonds (distance) P-C4' energy: -83.008 flat angles C4'-P-C4' energy: -85.560 flat angles P-C4'-P energy: -51.848 tors. eta vs tors. theta energy: -79.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1013.315987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.315987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.315987 (E_RNA) where: Base-Base interactions energy: -626.064 where: short stacking energy: -300.837 Base-Backbone interact. energy: -0.402 local terms energy: -386.849352 where: bonds (distance) C4'-P energy: -90.900 bonds (distance) P-C4' energy: -85.128 flat angles C4'-P-C4' energy: -78.992 flat angles P-C4'-P energy: -58.673 tors. eta vs tors. theta energy: -73.156 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: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -803.079965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.079965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.079965 (E_RNA) where: Base-Base interactions energy: -474.662 where: short stacking energy: -226.155 Base-Backbone interact. energy: -3.107 local terms energy: -325.311688 where: bonds (distance) C4'-P energy: -75.422 bonds (distance) P-C4' energy: -74.821 flat angles C4'-P-C4' energy: -76.535 flat angles P-C4'-P energy: -61.205 tors. eta vs tors. theta energy: -37.329 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: 8, replica: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -718.514202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.514202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.514202 (E_RNA) where: Base-Base interactions energy: -373.977 where: short stacking energy: -206.511 Base-Backbone interact. energy: 4.226 local terms energy: -348.763182 where: bonds (distance) C4'-P energy: -92.483 bonds (distance) P-C4' energy: -99.505 flat angles C4'-P-C4' energy: -81.211 flat angles P-C4'-P energy: -40.255 tors. eta vs tors. theta energy: -35.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -422.043773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.043773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.043773 (E_RNA) where: Base-Base interactions energy: -161.090 where: short stacking energy: -139.669 Base-Backbone interact. energy: 5.772 local terms energy: -266.725773 where: bonds (distance) C4'-P energy: -81.213 bonds (distance) P-C4' energy: -91.580 flat angles C4'-P-C4' energy: -60.220 flat angles P-C4'-P energy: -29.534 tors. eta vs tors. theta energy: -4.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -365.796154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.796154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.796154 (E_RNA) where: Base-Base interactions energy: -126.231 where: short stacking energy: -104.404 Base-Backbone interact. energy: 1.743 local terms energy: -241.308149 where: bonds (distance) C4'-P energy: -57.766 bonds (distance) P-C4' energy: -77.991 flat angles C4'-P-C4' energy: -73.192 flat angles P-C4'-P energy: -47.884 tors. eta vs tors. theta energy: 15.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1540.750698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.750698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.750698 (E_RNA) where: Base-Base interactions energy: -1039.960 where: short stacking energy: -460.709 Base-Backbone interact. energy: -3.110 local terms energy: -497.680481 where: bonds (distance) C4'-P energy: -89.538 bonds (distance) P-C4' energy: -100.334 flat angles C4'-P-C4' energy: -114.051 flat angles P-C4'-P energy: -66.039 tors. eta vs tors. theta energy: -127.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1496.804131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.804131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.804131 (E_RNA) where: Base-Base interactions energy: -1026.541 where: short stacking energy: -438.957 Base-Backbone interact. energy: -3.160 local terms energy: -467.102274 where: bonds (distance) C4'-P energy: -85.517 bonds (distance) P-C4' energy: -90.487 flat angles C4'-P-C4' energy: -99.628 flat angles P-C4'-P energy: -70.447 tors. eta vs tors. theta energy: -121.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1409.373797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.373797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.373797 (E_RNA) where: Base-Base interactions energy: -924.148 where: short stacking energy: -425.829 Base-Backbone interact. energy: -3.746 local terms energy: -481.479001 where: bonds (distance) C4'-P energy: -91.767 bonds (distance) P-C4' energy: -102.165 flat angles C4'-P-C4' energy: -92.444 flat angles P-C4'-P energy: -66.020 tors. eta vs tors. theta energy: -129.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1213.157859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.157859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.157859 (E_RNA) where: Base-Base interactions energy: -800.583 where: short stacking energy: -382.915 Base-Backbone interact. energy: 0.086 local terms energy: -412.661033 where: bonds (distance) C4'-P energy: -72.943 bonds (distance) P-C4' energy: -79.515 flat angles C4'-P-C4' energy: -87.531 flat angles P-C4'-P energy: -72.939 tors. eta vs tors. theta energy: -99.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1118.275012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.275012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.275012 (E_RNA) where: Base-Base interactions energy: -698.311 where: short stacking energy: -331.721 Base-Backbone interact. energy: -1.434 local terms energy: -418.530270 where: bonds (distance) C4'-P energy: -91.538 bonds (distance) P-C4' energy: -88.704 flat angles C4'-P-C4' energy: -96.822 flat angles P-C4'-P energy: -64.608 tors. eta vs tors. theta energy: -76.858 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: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1017.911709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.911709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.911709 (E_RNA) where: Base-Base interactions energy: -625.544 where: short stacking energy: -271.513 Base-Backbone interact. energy: -2.943 local terms energy: -389.424346 where: bonds (distance) C4'-P energy: -87.871 bonds (distance) P-C4' energy: -95.117 flat angles C4'-P-C4' energy: -91.751 flat angles P-C4'-P energy: -50.444 tors. eta vs tors. theta energy: -64.241 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: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -841.635102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.635102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.635102 (E_RNA) where: Base-Base interactions energy: -509.628 where: short stacking energy: -226.573 Base-Backbone interact. energy: -1.859 local terms energy: -330.148458 where: bonds (distance) C4'-P energy: -88.746 bonds (distance) P-C4' energy: -73.670 flat angles C4'-P-C4' energy: -67.006 flat angles P-C4'-P energy: -52.592 tors. eta vs tors. theta energy: -48.134 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: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -764.823988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.823988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.823988 (E_RNA) where: Base-Base interactions energy: -455.331 where: short stacking energy: -228.585 Base-Backbone interact. energy: -2.108 local terms energy: -307.385096 where: bonds (distance) C4'-P energy: -76.743 bonds (distance) P-C4' energy: -87.084 flat angles C4'-P-C4' energy: -65.803 flat angles P-C4'-P energy: -44.060 tors. eta vs tors. theta energy: -33.695 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: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -399.618030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.618030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.618030 (E_RNA) where: Base-Base interactions energy: -130.523 where: short stacking energy: -129.218 Base-Backbone interact. energy: -0.740 local terms energy: -268.355227 where: bonds (distance) C4'-P energy: -71.425 bonds (distance) P-C4' energy: -100.668 flat angles C4'-P-C4' energy: -68.395 flat angles P-C4'-P energy: -30.291 tors. eta vs tors. theta energy: 2.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -393.730647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.730647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.730647 (E_RNA) where: Base-Base interactions energy: -122.785 where: short stacking energy: -115.231 Base-Backbone interact. energy: 1.150 local terms energy: -272.095660 where: bonds (distance) C4'-P energy: -76.693 bonds (distance) P-C4' energy: -75.391 flat angles C4'-P-C4' energy: -74.287 flat angles P-C4'-P energy: -48.937 tors. eta vs tors. theta energy: 3.212 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: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1503.230112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.230112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.230112 (E_RNA) where: Base-Base interactions energy: -1014.805 where: short stacking energy: -437.415 Base-Backbone interact. energy: -4.655 local terms energy: -483.770026 where: bonds (distance) C4'-P energy: -88.561 bonds (distance) P-C4' energy: -95.743 flat angles C4'-P-C4' energy: -106.662 flat angles P-C4'-P energy: -66.038 tors. eta vs tors. theta energy: -126.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1523.730056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.730056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.730056 (E_RNA) where: Base-Base interactions energy: -1029.015 where: short stacking energy: -442.621 Base-Backbone interact. energy: -2.254 local terms energy: -492.460783 where: bonds (distance) C4'-P energy: -96.586 bonds (distance) P-C4' energy: -88.835 flat angles C4'-P-C4' energy: -101.372 flat angles P-C4'-P energy: -75.255 tors. eta vs tors. theta energy: -130.413 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: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1410.918216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.918216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.918216 (E_RNA) where: Base-Base interactions energy: -922.928 where: short stacking energy: -427.017 Base-Backbone interact. energy: -2.851 local terms energy: -485.139531 where: bonds (distance) C4'-P energy: -94.139 bonds (distance) P-C4' energy: -83.627 flat angles C4'-P-C4' energy: -104.390 flat angles P-C4'-P energy: -75.050 tors. eta vs tors. theta energy: -127.933 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: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1193.308329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.308329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.308329 (E_RNA) where: Base-Base interactions energy: -776.153 where: short stacking energy: -354.706 Base-Backbone interact. energy: 0.297 local terms energy: -417.452826 where: bonds (distance) C4'-P energy: -82.388 bonds (distance) P-C4' energy: -96.177 flat angles C4'-P-C4' energy: -86.272 flat angles P-C4'-P energy: -56.640 tors. eta vs tors. theta energy: -95.976 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: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1085.356768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.356768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.356768 (E_RNA) where: Base-Base interactions energy: -690.473 where: short stacking energy: -334.535 Base-Backbone interact. energy: 1.186 local terms energy: -396.069841 where: bonds (distance) C4'-P energy: -69.850 bonds (distance) P-C4' energy: -84.862 flat angles C4'-P-C4' energy: -96.351 flat angles P-C4'-P energy: -57.169 tors. eta vs tors. theta energy: -87.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1003.268617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.268617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.268617 (E_RNA) where: Base-Base interactions energy: -626.007 where: short stacking energy: -291.419 Base-Backbone interact. energy: 0.458 local terms energy: -377.718926 where: bonds (distance) C4'-P energy: -87.241 bonds (distance) P-C4' energy: -77.717 flat angles C4'-P-C4' energy: -80.320 flat angles P-C4'-P energy: -56.267 tors. eta vs tors. theta energy: -76.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -876.011581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.011581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.011581 (E_RNA) where: Base-Base interactions energy: -521.899 where: short stacking energy: -268.810 Base-Backbone interact. energy: 1.631 local terms energy: -355.743691 where: bonds (distance) C4'-P energy: -76.298 bonds (distance) P-C4' energy: -80.932 flat angles C4'-P-C4' energy: -86.871 flat angles P-C4'-P energy: -50.080 tors. eta vs tors. theta energy: -61.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -750.099866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.099866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.099866 (E_RNA) where: Base-Base interactions energy: -426.198 where: short stacking energy: -210.660 Base-Backbone interact. energy: -0.243 local terms energy: -323.659143 where: bonds (distance) C4'-P energy: -73.960 bonds (distance) P-C4' energy: -84.763 flat angles C4'-P-C4' energy: -77.941 flat angles P-C4'-P energy: -46.834 tors. eta vs tors. theta energy: -40.161 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: 9, replica: 5 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -443.807469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.807469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.807469 (E_RNA) where: Base-Base interactions energy: -168.702 where: short stacking energy: -124.784 Base-Backbone interact. energy: -0.883 local terms energy: -274.222348 where: bonds (distance) C4'-P energy: -92.346 bonds (distance) P-C4' energy: -81.029 flat angles C4'-P-C4' energy: -63.139 flat angles P-C4'-P energy: -42.588 tors. eta vs tors. theta energy: 4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -408.758447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.758447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.758447 (E_RNA) where: Base-Base interactions energy: -158.077 where: short stacking energy: -111.203 Base-Backbone interact. energy: -0.169 local terms energy: -250.512208 where: bonds (distance) C4'-P energy: -64.912 bonds (distance) P-C4' energy: -79.971 flat angles C4'-P-C4' energy: -77.844 flat angles P-C4'-P energy: -39.865 tors. eta vs tors. theta energy: 12.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1573.019798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.019798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.019798 (E_RNA) where: Base-Base interactions energy: -1050.568 where: short stacking energy: -476.235 Base-Backbone interact. energy: 1.714 local terms energy: -524.165552 where: bonds (distance) C4'-P energy: -99.725 bonds (distance) P-C4' energy: -98.738 flat angles C4'-P-C4' energy: -107.233 flat angles P-C4'-P energy: -68.677 tors. eta vs tors. theta energy: -149.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1495.148614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.148614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.148614 (E_RNA) where: Base-Base interactions energy: -1020.694 where: short stacking energy: -441.194 Base-Backbone interact. energy: -2.962 local terms energy: -471.492669 where: bonds (distance) C4'-P energy: -85.092 bonds (distance) P-C4' energy: -104.501 flat angles C4'-P-C4' energy: -95.220 flat angles P-C4'-P energy: -65.110 tors. eta vs tors. theta energy: -121.570 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: 4 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1380.268746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.268746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.268746 (E_RNA) where: Base-Base interactions energy: -909.012 where: short stacking energy: -418.145 Base-Backbone interact. energy: -1.972 local terms energy: -469.284541 where: bonds (distance) C4'-P energy: -91.699 bonds (distance) P-C4' energy: -93.585 flat angles C4'-P-C4' energy: -94.579 flat angles P-C4'-P energy: -65.383 tors. eta vs tors. theta energy: -124.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1209.962137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.962137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.962137 (E_RNA) where: Base-Base interactions energy: -789.499 where: short stacking energy: -366.946 Base-Backbone interact. energy: -2.226 local terms energy: -418.236546 where: bonds (distance) C4'-P energy: -79.118 bonds (distance) P-C4' energy: -80.860 flat angles C4'-P-C4' energy: -87.340 flat angles P-C4'-P energy: -68.333 tors. eta vs tors. theta energy: -102.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1087.206842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.206842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.206842 (E_RNA) where: Base-Base interactions energy: -698.389 where: short stacking energy: -295.033 Base-Backbone interact. energy: -1.315 local terms energy: -387.502289 where: bonds (distance) C4'-P energy: -86.746 bonds (distance) P-C4' energy: -85.111 flat angles C4'-P-C4' energy: -92.300 flat angles P-C4'-P energy: -50.937 tors. eta vs tors. theta energy: -72.408 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: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1004.792090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.792090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.792090 (E_RNA) where: Base-Base interactions energy: -628.842 where: short stacking energy: -298.969 Base-Backbone interact. energy: -1.446 local terms energy: -374.503900 where: bonds (distance) C4'-P energy: -73.625 bonds (distance) P-C4' energy: -80.927 flat angles C4'-P-C4' energy: -90.930 flat angles P-C4'-P energy: -56.006 tors. eta vs tors. theta energy: -73.016 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: 1 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -814.088680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.088680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.088680 (E_RNA) where: Base-Base interactions energy: -477.918 where: short stacking energy: -238.287 Base-Backbone interact. energy: 2.379 local terms energy: -338.550156 where: bonds (distance) C4'-P energy: -87.824 bonds (distance) P-C4' energy: -84.238 flat angles C4'-P-C4' energy: -77.912 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -39.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -762.439110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.439110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.439110 (E_RNA) where: Base-Base interactions energy: -462.148 where: short stacking energy: -210.274 Base-Backbone interact. energy: -2.108 local terms energy: -298.182752 where: bonds (distance) C4'-P energy: -79.663 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -77.348 flat angles P-C4'-P energy: -41.178 tors. eta vs tors. theta energy: -32.161 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: 9, replica: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -485.112740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.112740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.112740 (E_RNA) where: Base-Base interactions energy: -222.854 where: short stacking energy: -137.527 Base-Backbone interact. energy: 2.110 local terms energy: -264.368181 where: bonds (distance) C4'-P energy: -79.915 bonds (distance) P-C4' energy: -72.436 flat angles C4'-P-C4' energy: -69.184 flat angles P-C4'-P energy: -36.617 tors. eta vs tors. theta energy: -6.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -384.344882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.344882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.344882 (E_RNA) where: Base-Base interactions energy: -129.726 where: short stacking energy: -107.190 Base-Backbone interact. energy: -1.449 local terms energy: -253.169470 where: bonds (distance) C4'-P energy: -82.096 bonds (distance) P-C4' energy: -83.979 flat angles C4'-P-C4' energy: -71.001 flat angles P-C4'-P energy: -38.668 tors. eta vs tors. theta energy: 22.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1545.842575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.842575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.842575 (E_RNA) where: Base-Base interactions energy: -1028.797 where: short stacking energy: -442.719 Base-Backbone interact. energy: -2.573 local terms energy: -514.472645 where: bonds (distance) C4'-P energy: -96.378 bonds (distance) P-C4' energy: -92.924 flat angles C4'-P-C4' energy: -107.830 flat angles P-C4'-P energy: -77.853 tors. eta vs tors. theta energy: -139.488 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: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1469.864029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.864029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.864029 (E_RNA) where: Base-Base interactions energy: -976.758 where: short stacking energy: -473.223 Base-Backbone interact. energy: -5.962 local terms energy: -487.144297 where: bonds (distance) C4'-P energy: -80.185 bonds (distance) P-C4' energy: -97.363 flat angles C4'-P-C4' energy: -102.651 flat angles P-C4'-P energy: -62.594 tors. eta vs tors. theta energy: -144.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1385.727047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.727047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.727047 (E_RNA) where: Base-Base interactions energy: -902.216 where: short stacking energy: -387.768 Base-Backbone interact. energy: -5.080 local terms energy: -478.431608 where: bonds (distance) C4'-P energy: -97.990 bonds (distance) P-C4' energy: -91.618 flat angles C4'-P-C4' energy: -105.390 flat angles P-C4'-P energy: -69.226 tors. eta vs tors. theta energy: -114.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1231.461439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.461439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.461439 (E_RNA) where: Base-Base interactions energy: -802.514 where: short stacking energy: -362.393 Base-Backbone interact. energy: -0.427 local terms energy: -428.520620 where: bonds (distance) C4'-P energy: -86.389 bonds (distance) P-C4' energy: -92.046 flat angles C4'-P-C4' energy: -98.399 flat angles P-C4'-P energy: -58.960 tors. eta vs tors. theta energy: -92.728 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: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1030.640409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.640409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.640409 (E_RNA) where: Base-Base interactions energy: -625.048 where: short stacking energy: -325.347 Base-Backbone interact. energy: -1.245 local terms energy: -404.347734 where: bonds (distance) C4'-P energy: -89.226 bonds (distance) P-C4' energy: -89.377 flat angles C4'-P-C4' energy: -88.472 flat angles P-C4'-P energy: -47.304 tors. eta vs tors. theta energy: -89.969 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: 7 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -996.706708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.706708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.706708 (E_RNA) where: Base-Base interactions energy: -653.063 where: short stacking energy: -271.700 Base-Backbone interact. energy: 2.290 local terms energy: -345.934335 where: bonds (distance) C4'-P energy: -72.746 bonds (distance) P-C4' energy: -83.263 flat angles C4'-P-C4' energy: -80.542 flat angles P-C4'-P energy: -48.276 tors. eta vs tors. theta energy: -61.107 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: 1 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -813.065995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.065995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.065995 (E_RNA) where: Base-Base interactions energy: -462.367 where: short stacking energy: -228.391 Base-Backbone interact. energy: 1.350 local terms energy: -352.048364 where: bonds (distance) C4'-P energy: -94.594 bonds (distance) P-C4' energy: -84.636 flat angles C4'-P-C4' energy: -78.926 flat angles P-C4'-P energy: -45.929 tors. eta vs tors. theta energy: -47.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -770.061048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.061048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.061048 (E_RNA) where: Base-Base interactions energy: -434.118 where: short stacking energy: -221.623 Base-Backbone interact. energy: 4.043 local terms energy: -339.985309 where: bonds (distance) C4'-P energy: -77.869 bonds (distance) P-C4' energy: -81.629 flat angles C4'-P-C4' energy: -81.315 flat angles P-C4'-P energy: -54.105 tors. eta vs tors. theta energy: -45.067 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: 9, replica: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -487.679690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.679690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.679690 (E_RNA) where: Base-Base interactions energy: -227.431 where: short stacking energy: -109.099 Base-Backbone interact. energy: -1.589 local terms energy: -258.659312 where: bonds (distance) C4'-P energy: -80.938 bonds (distance) P-C4' energy: -93.714 flat angles C4'-P-C4' energy: -60.804 flat angles P-C4'-P energy: -38.539 tors. eta vs tors. theta energy: 15.335 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: 345 Temperature: 1.350000 Total energy: -383.093827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.093827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.093827 (E_RNA) where: Base-Base interactions energy: -118.966 where: short stacking energy: -110.743 Base-Backbone interact. energy: 9.145 local terms energy: -273.273228 where: bonds (distance) C4'-P energy: -86.996 bonds (distance) P-C4' energy: -96.513 flat angles C4'-P-C4' energy: -85.826 flat angles P-C4'-P energy: -23.362 tors. eta vs tors. theta energy: 19.423 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: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1530.403152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.403152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.403152 (E_RNA) where: Base-Base interactions energy: -1033.264 where: short stacking energy: -464.779 Base-Backbone interact. energy: -3.407 local terms energy: -493.732053 where: bonds (distance) C4'-P energy: -92.959 bonds (distance) P-C4' energy: -88.270 flat angles C4'-P-C4' energy: -103.618 flat angles P-C4'-P energy: -68.977 tors. eta vs tors. theta energy: -139.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1455.377420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.377420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.377420 (E_RNA) where: Base-Base interactions energy: -956.519 where: short stacking energy: -447.079 Base-Backbone interact. energy: -3.150 local terms energy: -495.708833 where: bonds (distance) C4'-P energy: -90.838 bonds (distance) P-C4' energy: -96.961 flat angles C4'-P-C4' energy: -107.582 flat angles P-C4'-P energy: -64.852 tors. eta vs tors. theta energy: -135.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1386.150569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.150569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.150569 (E_RNA) where: Base-Base interactions energy: -918.625 where: short stacking energy: -401.684 Base-Backbone interact. energy: -2.074 local terms energy: -465.451434 where: bonds (distance) C4'-P energy: -89.668 bonds (distance) P-C4' energy: -81.576 flat angles C4'-P-C4' energy: -115.968 flat angles P-C4'-P energy: -72.216 tors. eta vs tors. theta energy: -106.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1260.235790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.235790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.235790 (E_RNA) where: Base-Base interactions energy: -810.956 where: short stacking energy: -364.673 Base-Backbone interact. energy: -0.012 local terms energy: -449.267083 where: bonds (distance) C4'-P energy: -88.412 bonds (distance) P-C4' energy: -81.936 flat angles C4'-P-C4' energy: -108.221 flat angles P-C4'-P energy: -72.579 tors. eta vs tors. theta energy: -98.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1049.903845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.903845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.903845 (E_RNA) where: Base-Base interactions energy: -657.425 where: short stacking energy: -315.933 Base-Backbone interact. energy: 1.175 local terms energy: -393.654336 where: bonds (distance) C4'-P energy: -87.175 bonds (distance) P-C4' energy: -88.690 flat angles C4'-P-C4' energy: -86.070 flat angles P-C4'-P energy: -58.581 tors. eta vs tors. theta energy: -73.139 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: 6, replica: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -983.130692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.130692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.130692 (E_RNA) where: Base-Base interactions energy: -612.180 where: short stacking energy: -288.141 Base-Backbone interact. energy: -3.211 local terms energy: -367.740335 where: bonds (distance) C4'-P energy: -80.680 bonds (distance) P-C4' energy: -79.874 flat angles C4'-P-C4' energy: -85.676 flat angles P-C4'-P energy: -56.444 tors. eta vs tors. theta energy: -65.066 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: 1 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -872.713807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.713807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.713807 (E_RNA) where: Base-Base interactions energy: -517.247 where: short stacking energy: -249.249 Base-Backbone interact. energy: -1.165 local terms energy: -354.301865 where: bonds (distance) C4'-P energy: -74.737 bonds (distance) P-C4' energy: -82.849 flat angles C4'-P-C4' energy: -96.488 flat angles P-C4'-P energy: -48.094 tors. eta vs tors. theta energy: -52.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -810.100398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.100398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.100398 (E_RNA) where: Base-Base interactions energy: -486.641 where: short stacking energy: -226.644 Base-Backbone interact. energy: 0.130 local terms energy: -323.589739 where: bonds (distance) C4'-P energy: -70.119 bonds (distance) P-C4' energy: -85.762 flat angles C4'-P-C4' energy: -69.617 flat angles P-C4'-P energy: -58.826 tors. eta vs tors. theta energy: -39.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -561.373396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.373396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.373396 (E_RNA) where: Base-Base interactions energy: -283.326 where: short stacking energy: -146.578 Base-Backbone interact. energy: -0.999 local terms energy: -277.048075 where: bonds (distance) C4'-P energy: -84.711 bonds (distance) P-C4' energy: -84.543 flat angles C4'-P-C4' energy: -70.111 flat angles P-C4'-P energy: -27.026 tors. eta vs tors. theta energy: -10.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -380.565834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.565834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.565834 (E_RNA) where: Base-Base interactions energy: -124.377 where: short stacking energy: -109.934 Base-Backbone interact. energy: 1.587 local terms energy: -257.775469 where: bonds (distance) C4'-P energy: -76.211 bonds (distance) P-C4' energy: -82.493 flat angles C4'-P-C4' energy: -76.985 flat angles P-C4'-P energy: -34.715 tors. eta vs tors. theta energy: 12.629 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: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1572.238494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.238494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.238494 (E_RNA) where: Base-Base interactions energy: -1065.395 where: short stacking energy: -461.430 Base-Backbone interact. energy: -1.449 local terms energy: -505.394683 where: bonds (distance) C4'-P energy: -87.127 bonds (distance) P-C4' energy: -98.218 flat angles C4'-P-C4' energy: -112.896 flat angles P-C4'-P energy: -66.075 tors. eta vs tors. theta energy: -141.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1433.748042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.748042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.748042 (E_RNA) where: Base-Base interactions energy: -943.785 where: short stacking energy: -448.948 Base-Backbone interact. energy: -2.818 local terms energy: -487.144834 where: bonds (distance) C4'-P energy: -87.138 bonds (distance) P-C4' energy: -94.060 flat angles C4'-P-C4' energy: -104.812 flat angles P-C4'-P energy: -63.794 tors. eta vs tors. theta energy: -137.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1375.519444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.519444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.519444 (E_RNA) where: Base-Base interactions energy: -913.783 where: short stacking energy: -389.456 Base-Backbone interact. energy: -5.506 local terms energy: -456.229842 where: bonds (distance) C4'-P energy: -99.013 bonds (distance) P-C4' energy: -87.882 flat angles C4'-P-C4' energy: -101.878 flat angles P-C4'-P energy: -63.916 tors. eta vs tors. theta energy: -103.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1207.049846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.049846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.049846 (E_RNA) where: Base-Base interactions energy: -771.215 where: short stacking energy: -352.141 Base-Backbone interact. energy: -0.995 local terms energy: -434.839586 where: bonds (distance) C4'-P energy: -87.628 bonds (distance) P-C4' energy: -95.854 flat angles C4'-P-C4' energy: -93.546 flat angles P-C4'-P energy: -66.463 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: 5, replica: 7 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1099.176348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.176348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.176348 (E_RNA) where: Base-Base interactions energy: -680.882 where: short stacking energy: -326.943 Base-Backbone interact. energy: -0.683 local terms energy: -417.611045 where: bonds (distance) C4'-P energy: -92.051 bonds (distance) P-C4' energy: -97.992 flat angles C4'-P-C4' energy: -92.409 flat angles P-C4'-P energy: -55.028 tors. eta vs tors. theta energy: -80.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -901.449142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.449142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.449142 (E_RNA) where: Base-Base interactions energy: -564.040 where: short stacking energy: -274.981 Base-Backbone interact. energy: 1.502 local terms energy: -338.911299 where: bonds (distance) C4'-P energy: -63.488 bonds (distance) P-C4' energy: -73.328 flat angles C4'-P-C4' energy: -76.068 flat angles P-C4'-P energy: -59.048 tors. eta vs tors. theta energy: -66.978 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: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -877.096866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.096866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.096866 (E_RNA) where: Base-Base interactions energy: -537.866 where: short stacking energy: -253.912 Base-Backbone interact. energy: -0.206 local terms energy: -339.024559 where: bonds (distance) C4'-P energy: -88.417 bonds (distance) P-C4' energy: -76.375 flat angles C4'-P-C4' energy: -85.810 flat angles P-C4'-P energy: -46.639 tors. eta vs tors. theta energy: -41.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -778.334089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.334089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.334089 (E_RNA) where: Base-Base interactions energy: -440.192 where: short stacking energy: -230.317 Base-Backbone interact. energy: -1.727 local terms energy: -336.415382 where: bonds (distance) C4'-P energy: -78.942 bonds (distance) P-C4' energy: -100.295 flat angles C4'-P-C4' energy: -70.767 flat angles P-C4'-P energy: -45.820 tors. eta vs tors. theta energy: -40.592 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: 5 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -522.903189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.903189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.903189 (E_RNA) where: Base-Base interactions energy: -263.566 where: short stacking energy: -151.788 Base-Backbone interact. energy: -0.290 local terms energy: -259.048081 where: bonds (distance) C4'-P energy: -69.079 bonds (distance) P-C4' energy: -75.117 flat angles C4'-P-C4' energy: -75.016 flat angles P-C4'-P energy: -45.240 tors. eta vs tors. theta energy: 5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -374.790159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.790159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.790159 (E_RNA) where: Base-Base interactions energy: -140.911 where: short stacking energy: -115.129 Base-Backbone interact. energy: 1.517 local terms energy: -235.395470 where: bonds (distance) C4'-P energy: -61.823 bonds (distance) P-C4' energy: -92.164 flat angles C4'-P-C4' energy: -63.515 flat angles P-C4'-P energy: -38.614 tors. eta vs tors. theta energy: 20.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1578.087333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.087333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.087333 (E_RNA) where: Base-Base interactions energy: -1048.526 where: short stacking energy: -453.385 Base-Backbone interact. energy: -4.384 local terms energy: -525.177599 where: bonds (distance) C4'-P energy: -98.900 bonds (distance) P-C4' energy: -103.634 flat angles C4'-P-C4' energy: -106.801 flat angles P-C4'-P energy: -75.194 tors. eta vs tors. theta energy: -140.648 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: 4 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1452.211634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.211634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.211634 (E_RNA) where: Base-Base interactions energy: -955.235 where: short stacking energy: -446.587 Base-Backbone interact. energy: -0.708 local terms energy: -496.269277 where: bonds (distance) C4'-P energy: -87.330 bonds (distance) P-C4' energy: -99.489 flat angles C4'-P-C4' energy: -103.773 flat angles P-C4'-P energy: -72.183 tors. eta vs tors. theta energy: -133.494 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: 6 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1410.142188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.142188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.142188 (E_RNA) where: Base-Base interactions energy: -934.924 where: short stacking energy: -422.148 Base-Backbone interact. energy: -4.136 local terms energy: -471.081987 where: bonds (distance) C4'-P energy: -94.560 bonds (distance) P-C4' energy: -91.203 flat angles C4'-P-C4' energy: -108.151 flat angles P-C4'-P energy: -70.835 tors. eta vs tors. theta energy: -106.333 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: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1212.063079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.063079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.063079 (E_RNA) where: Base-Base interactions energy: -793.265 where: short stacking energy: -367.929 Base-Backbone interact. energy: 2.970 local terms energy: -421.767889 where: bonds (distance) C4'-P energy: -93.483 bonds (distance) P-C4' energy: -96.854 flat angles C4'-P-C4' energy: -93.994 flat angles P-C4'-P energy: -45.570 tors. eta vs tors. theta energy: -91.866 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: 7 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1069.355212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.355212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.355212 (E_RNA) where: Base-Base interactions energy: -657.500 where: short stacking energy: -297.897 Base-Backbone interact. energy: -2.190 local terms energy: -409.665274 where: bonds (distance) C4'-P energy: -91.527 bonds (distance) P-C4' energy: -101.319 flat angles C4'-P-C4' energy: -92.041 flat angles P-C4'-P energy: -56.830 tors. eta vs tors. theta energy: -67.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -933.167956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.167956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.167956 (E_RNA) where: Base-Base interactions energy: -557.056 where: short stacking energy: -277.293 Base-Backbone interact. energy: -1.631 local terms energy: -374.481581 where: bonds (distance) C4'-P energy: -83.433 bonds (distance) P-C4' energy: -88.238 flat angles C4'-P-C4' energy: -84.185 flat angles P-C4'-P energy: -54.322 tors. eta vs tors. theta energy: -64.304 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: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -892.945351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.945351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.945351 (E_RNA) where: Base-Base interactions energy: -547.416 where: short stacking energy: -243.068 Base-Backbone interact. energy: 0.670 local terms energy: -346.199310 where: bonds (distance) C4'-P energy: -86.014 bonds (distance) P-C4' energy: -77.043 flat angles C4'-P-C4' energy: -82.670 flat angles P-C4'-P energy: -57.809 tors. eta vs tors. theta energy: -42.663 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: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -713.391031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.391031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.391031 (E_RNA) where: Base-Base interactions energy: -403.222 where: short stacking energy: -205.423 Base-Backbone interact. energy: 3.531 local terms energy: -313.699980 where: bonds (distance) C4'-P energy: -85.619 bonds (distance) P-C4' energy: -77.015 flat angles C4'-P-C4' energy: -77.304 flat angles P-C4'-P energy: -50.016 tors. eta vs tors. theta energy: -23.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -591.351083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.351083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.351083 (E_RNA) where: Base-Base interactions energy: -311.104 where: short stacking energy: -162.806 Base-Backbone interact. energy: -1.809 local terms energy: -278.437489 where: bonds (distance) C4'-P energy: -64.877 bonds (distance) P-C4' energy: -87.632 flat angles C4'-P-C4' energy: -73.686 flat angles P-C4'-P energy: -44.289 tors. eta vs tors. theta energy: -7.954 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: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -380.976885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.976885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.976885 (E_RNA) where: Base-Base interactions energy: -161.602 where: short stacking energy: -113.935 Base-Backbone interact. energy: -2.094 local terms energy: -217.280896 where: bonds (distance) C4'-P energy: -66.037 bonds (distance) P-C4' energy: -85.697 flat angles C4'-P-C4' energy: -54.726 flat angles P-C4'-P energy: -25.849 tors. eta vs tors. theta energy: 15.028 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: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1573.505901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.505901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.505901 (E_RNA) where: Base-Base interactions energy: -1070.470 where: short stacking energy: -470.587 Base-Backbone interact. energy: -4.406 local terms energy: -498.629824 where: bonds (distance) C4'-P energy: -90.208 bonds (distance) P-C4' energy: -98.847 flat angles C4'-P-C4' energy: -102.781 flat angles P-C4'-P energy: -68.179 tors. eta vs tors. theta energy: -138.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1427.784561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.784561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.784561 (E_RNA) where: Base-Base interactions energy: -946.053 where: short stacking energy: -454.667 Base-Backbone interact. energy: -0.646 local terms energy: -481.085409 where: bonds (distance) C4'-P energy: -89.280 bonds (distance) P-C4' energy: -92.186 flat angles C4'-P-C4' energy: -104.396 flat angles P-C4'-P energy: -60.017 tors. eta vs tors. theta energy: -135.207 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: 3, replica: 6 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1392.545590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.545590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.545590 (E_RNA) where: Base-Base interactions energy: -932.707 where: short stacking energy: -399.256 Base-Backbone interact. energy: -5.691 local terms energy: -454.147817 where: bonds (distance) C4'-P energy: -87.033 bonds (distance) P-C4' energy: -84.001 flat angles C4'-P-C4' energy: -100.738 flat angles P-C4'-P energy: -73.228 tors. eta vs tors. theta energy: -109.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1249.073208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.073208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.073208 (E_RNA) where: Base-Base interactions energy: -803.133 where: short stacking energy: -394.820 Base-Backbone interact. energy: -1.813 local terms energy: -444.127020 where: bonds (distance) C4'-P energy: -82.959 bonds (distance) P-C4' energy: -104.198 flat angles C4'-P-C4' energy: -95.008 flat angles P-C4'-P energy: -58.489 tors. eta vs tors. theta energy: -103.473 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: 7 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1066.865349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.865349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.865349 (E_RNA) where: Base-Base interactions energy: -670.358 where: short stacking energy: -340.128 Base-Backbone interact. energy: -0.092 local terms energy: -396.414919 where: bonds (distance) C4'-P energy: -73.420 bonds (distance) P-C4' energy: -90.946 flat angles C4'-P-C4' energy: -91.290 flat angles P-C4'-P energy: -58.928 tors. eta vs tors. theta energy: -81.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -956.524383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.524383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.524383 (E_RNA) where: Base-Base interactions energy: -577.349 where: short stacking energy: -287.680 Base-Backbone interact. energy: -1.963 local terms energy: -377.212596 where: bonds (distance) C4'-P energy: -84.357 bonds (distance) P-C4' energy: -84.828 flat angles C4'-P-C4' energy: -87.008 flat angles P-C4'-P energy: -56.376 tors. eta vs tors. theta energy: -64.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -863.360306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.360306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.360306 (E_RNA) where: Base-Base interactions energy: -546.459 where: short stacking energy: -263.896 Base-Backbone interact. energy: -1.759 local terms energy: -315.141935 where: bonds (distance) C4'-P energy: -79.444 bonds (distance) P-C4' energy: -63.424 flat angles C4'-P-C4' energy: -75.530 flat angles P-C4'-P energy: -51.335 tors. eta vs tors. theta energy: -45.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -730.545335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.545335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.545335 (E_RNA) where: Base-Base interactions energy: -425.110 where: short stacking energy: -216.523 Base-Backbone interact. energy: -2.654 local terms energy: -302.781294 where: bonds (distance) C4'-P energy: -59.379 bonds (distance) P-C4' energy: -87.357 flat angles C4'-P-C4' energy: -73.405 flat angles P-C4'-P energy: -55.875 tors. eta vs tors. theta energy: -26.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -572.737100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.737100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.737100 (E_RNA) where: Base-Base interactions energy: -292.560 where: short stacking energy: -163.417 Base-Backbone interact. energy: 2.031 local terms energy: -282.207775 where: bonds (distance) C4'-P energy: -78.071 bonds (distance) P-C4' energy: -94.768 flat angles C4'-P-C4' energy: -59.588 flat angles P-C4'-P energy: -40.257 tors. eta vs tors. theta energy: -9.524 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: 349 Temperature: 1.350000 Total energy: -378.847557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.847557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.847557 (E_RNA) where: Base-Base interactions energy: -130.461 where: short stacking energy: -113.296 Base-Backbone interact. energy: -1.650 local terms energy: -246.736839 where: bonds (distance) C4'-P energy: -83.719 bonds (distance) P-C4' energy: -75.257 flat angles C4'-P-C4' energy: -63.604 flat angles P-C4'-P energy: -47.569 tors. eta vs tors. theta energy: 23.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1562.733803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.733803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.733803 (E_RNA) where: Base-Base interactions energy: -1065.239 where: short stacking energy: -494.789 Base-Backbone interact. energy: -1.449 local terms energy: -496.046269 where: bonds (distance) C4'-P energy: -86.124 bonds (distance) P-C4' energy: -98.496 flat angles C4'-P-C4' energy: -113.705 flat angles P-C4'-P energy: -57.929 tors. eta vs tors. theta energy: -139.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1436.465988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.465988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.465988 (E_RNA) where: Base-Base interactions energy: -955.449 where: short stacking energy: -454.524 Base-Backbone interact. energy: -2.206 local terms energy: -478.811162 where: bonds (distance) C4'-P energy: -89.402 bonds (distance) P-C4' energy: -90.143 flat angles C4'-P-C4' energy: -101.466 flat angles P-C4'-P energy: -65.587 tors. eta vs tors. theta energy: -132.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1383.378627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.378627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.378627 (E_RNA) where: Base-Base interactions energy: -934.009 where: short stacking energy: -392.607 Base-Backbone interact. energy: -3.861 local terms energy: -445.509091 where: bonds (distance) C4'-P energy: -86.485 bonds (distance) P-C4' energy: -89.246 flat angles C4'-P-C4' energy: -96.159 flat angles P-C4'-P energy: -62.189 tors. eta vs tors. theta energy: -111.430 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: 10 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1266.520462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.520462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.520462 (E_RNA) where: Base-Base interactions energy: -815.813 where: short stacking energy: -390.458 Base-Backbone interact. energy: 2.982 local terms energy: -453.689331 where: bonds (distance) C4'-P energy: -88.423 bonds (distance) P-C4' energy: -90.402 flat angles C4'-P-C4' energy: -92.367 flat angles P-C4'-P energy: -66.393 tors. eta vs tors. theta energy: -116.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1073.507851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.507851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.507851 (E_RNA) where: Base-Base interactions energy: -689.520 where: short stacking energy: -325.966 Base-Backbone interact. energy: -2.004 local terms energy: -381.984298 where: bonds (distance) C4'-P energy: -79.720 bonds (distance) P-C4' energy: -85.164 flat angles C4'-P-C4' energy: -89.668 flat angles P-C4'-P energy: -50.373 tors. eta vs tors. theta energy: -77.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -995.717565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.717565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.717565 (E_RNA) where: Base-Base interactions energy: -609.179 where: short stacking energy: -272.071 Base-Backbone interact. energy: -1.539 local terms energy: -384.999639 where: bonds (distance) C4'-P energy: -73.462 bonds (distance) P-C4' energy: -87.091 flat angles C4'-P-C4' energy: -92.679 flat angles P-C4'-P energy: -63.384 tors. eta vs tors. theta energy: -68.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -930.141252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.141252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.141252 (E_RNA) where: Base-Base interactions energy: -574.559 where: short stacking energy: -246.571 Base-Backbone interact. energy: 0.467 local terms energy: -356.049641 where: bonds (distance) C4'-P energy: -91.362 bonds (distance) P-C4' energy: -70.444 flat angles C4'-P-C4' energy: -84.630 flat angles P-C4'-P energy: -60.590 tors. eta vs tors. theta energy: -49.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -710.961541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.961541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.961541 (E_RNA) where: Base-Base interactions energy: -396.820 where: short stacking energy: -212.275 Base-Backbone interact. energy: 0.617 local terms energy: -314.758827 where: bonds (distance) C4'-P energy: -76.838 bonds (distance) P-C4' energy: -85.966 flat angles C4'-P-C4' energy: -76.673 flat angles P-C4'-P energy: -48.718 tors. eta vs tors. theta energy: -26.564 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: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -391.354895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.354895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.354895 (E_RNA) where: Base-Base interactions energy: -150.593 where: short stacking energy: -121.900 Base-Backbone interact. energy: 6.733 local terms energy: -247.494367 where: bonds (distance) C4'-P energy: -68.817 bonds (distance) P-C4' energy: -81.127 flat angles C4'-P-C4' energy: -61.569 flat angles P-C4'-P energy: -48.864 tors. eta vs tors. theta energy: 12.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -538.610954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.610954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.610954 (E_RNA) where: Base-Base interactions energy: -288.768 where: short stacking energy: -167.019 Base-Backbone interact. energy: -0.022 local terms energy: -249.820292 where: bonds (distance) C4'-P energy: -66.520 bonds (distance) P-C4' energy: -68.965 flat angles C4'-P-C4' energy: -65.490 flat angles P-C4'-P energy: -47.000 tors. eta vs tors. theta energy: -1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1579.532335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.532335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.532335 (E_RNA) where: Base-Base interactions energy: -1065.904 where: short stacking energy: -478.188 Base-Backbone interact. energy: -3.125 local terms energy: -510.502689 where: bonds (distance) C4'-P energy: -101.126 bonds (distance) P-C4' energy: -93.366 flat angles C4'-P-C4' energy: -95.414 flat angles P-C4'-P energy: -69.030 tors. eta vs tors. theta energy: -151.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1445.945561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.945561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.945561 (E_RNA) where: Base-Base interactions energy: -931.725 where: short stacking energy: -442.302 Base-Backbone interact. energy: -3.526 local terms energy: -510.694059 where: bonds (distance) C4'-P energy: -93.544 bonds (distance) P-C4' energy: -97.453 flat angles C4'-P-C4' energy: -107.472 flat angles P-C4'-P energy: -75.814 tors. eta vs tors. theta energy: -136.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1386.576869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.576869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.576869 (E_RNA) where: Base-Base interactions energy: -901.825 where: short stacking energy: -403.872 Base-Backbone interact. energy: -5.197 local terms energy: -479.555441 where: bonds (distance) C4'-P energy: -101.142 bonds (distance) P-C4' energy: -91.190 flat angles C4'-P-C4' energy: -108.594 flat angles P-C4'-P energy: -64.827 tors. eta vs tors. theta energy: -113.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1258.167290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.167290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.167290 (E_RNA) where: Base-Base interactions energy: -844.989 where: short stacking energy: -393.944 Base-Backbone interact. energy: -1.269 local terms energy: -411.909092 where: bonds (distance) C4'-P energy: -84.378 bonds (distance) P-C4' energy: -83.268 flat angles C4'-P-C4' energy: -85.135 flat angles P-C4'-P energy: -55.346 tors. eta vs tors. theta energy: -103.783 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: 7 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1067.876533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.876533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.876533 (E_RNA) where: Base-Base interactions energy: -694.870 where: short stacking energy: -321.794 Base-Backbone interact. energy: 2.013 local terms energy: -375.019876 where: bonds (distance) C4'-P energy: -83.010 bonds (distance) P-C4' energy: -89.823 flat angles C4'-P-C4' energy: -82.652 flat angles P-C4'-P energy: -43.692 tors. eta vs tors. theta energy: -75.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -935.334727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.334727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.334727 (E_RNA) where: Base-Base interactions energy: -559.819 where: short stacking energy: -254.430 Base-Backbone interact. energy: 2.250 local terms energy: -377.764766 where: bonds (distance) C4'-P energy: -95.036 bonds (distance) P-C4' energy: -88.635 flat angles C4'-P-C4' energy: -85.622 flat angles P-C4'-P energy: -38.917 tors. eta vs tors. theta energy: -69.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -910.282032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.282032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.282032 (E_RNA) where: Base-Base interactions energy: -579.969 where: short stacking energy: -251.865 Base-Backbone interact. energy: -1.172 local terms energy: -329.141097 where: bonds (distance) C4'-P energy: -74.270 bonds (distance) P-C4' energy: -81.399 flat angles C4'-P-C4' energy: -82.754 flat angles P-C4'-P energy: -46.789 tors. eta vs tors. theta energy: -43.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -693.515449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.515449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.515449 (E_RNA) where: Base-Base interactions energy: -412.686 where: short stacking energy: -202.002 Base-Backbone interact. energy: -0.005 local terms energy: -280.824710 where: bonds (distance) C4'-P energy: -67.902 bonds (distance) P-C4' energy: -88.680 flat angles C4'-P-C4' energy: -64.094 flat angles P-C4'-P energy: -34.350 tors. eta vs tors. theta energy: -25.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -436.827263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.827263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.827263 (E_RNA) where: Base-Base interactions energy: -183.267 where: short stacking energy: -120.310 Base-Backbone interact. energy: 5.289 local terms energy: -258.848304 where: bonds (distance) C4'-P energy: -76.625 bonds (distance) P-C4' energy: -77.285 flat angles C4'-P-C4' energy: -85.721 flat angles P-C4'-P energy: -36.390 tors. eta vs tors. theta energy: 17.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -500.925297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.925297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.925297 (E_RNA) where: Base-Base interactions energy: -251.623 where: short stacking energy: -159.402 Base-Backbone interact. energy: 4.039 local terms energy: -253.341545 where: bonds (distance) C4'-P energy: -51.077 bonds (distance) P-C4' energy: -82.785 flat angles C4'-P-C4' energy: -76.447 flat angles P-C4'-P energy: -44.785 tors. eta vs tors. theta energy: 1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1561.583285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.583285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.583285 (E_RNA) where: Base-Base interactions energy: -1056.397 where: short stacking energy: -467.514 Base-Backbone interact. energy: -1.837 local terms energy: -503.349350 where: bonds (distance) C4'-P energy: -93.270 bonds (distance) P-C4' energy: -105.401 flat angles C4'-P-C4' energy: -93.064 flat angles P-C4'-P energy: -61.363 tors. eta vs tors. theta energy: -150.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1470.038324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.038324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.038324 (E_RNA) where: Base-Base interactions energy: -963.731 where: short stacking energy: -470.376 Base-Backbone interact. energy: -1.174 local terms energy: -505.133006 where: bonds (distance) C4'-P energy: -80.483 bonds (distance) P-C4' energy: -98.143 flat angles C4'-P-C4' energy: -111.964 flat angles P-C4'-P energy: -73.133 tors. eta vs tors. theta energy: -141.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1453.406291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.406291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.406291 (E_RNA) where: Base-Base interactions energy: -996.976 where: short stacking energy: -429.343 Base-Backbone interact. energy: -3.918 local terms energy: -452.511973 where: bonds (distance) C4'-P energy: -75.259 bonds (distance) P-C4' energy: -94.814 flat angles C4'-P-C4' energy: -95.849 flat angles P-C4'-P energy: -72.157 tors. eta vs tors. theta energy: -114.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1315.506470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.506470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.506470 (E_RNA) where: Base-Base interactions energy: -867.744 where: short stacking energy: -402.345 Base-Backbone interact. energy: -1.196 local terms energy: -446.566975 where: bonds (distance) C4'-P energy: -90.312 bonds (distance) P-C4' energy: -89.375 flat angles C4'-P-C4' energy: -87.521 flat angles P-C4'-P energy: -68.520 tors. eta vs tors. theta energy: -110.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1038.109490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.109490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.109490 (E_RNA) where: Base-Base interactions energy: -653.202 where: short stacking energy: -300.080 Base-Backbone interact. energy: -1.032 local terms energy: -383.875134 where: bonds (distance) C4'-P energy: -77.540 bonds (distance) P-C4' energy: -94.462 flat angles C4'-P-C4' energy: -90.980 flat angles P-C4'-P energy: -59.079 tors. eta vs tors. theta energy: -61.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -875.265798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.265798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.265798 (E_RNA) where: Base-Base interactions energy: -484.304 where: short stacking energy: -229.414 Base-Backbone interact. energy: -1.048 local terms energy: -389.914252 where: bonds (distance) C4'-P energy: -102.274 bonds (distance) P-C4' energy: -98.573 flat angles C4'-P-C4' energy: -71.139 flat angles P-C4'-P energy: -62.967 tors. eta vs tors. theta energy: -54.961 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: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -850.351374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.351374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.351374 (E_RNA) where: Base-Base interactions energy: -502.128 where: short stacking energy: -251.515 Base-Backbone interact. energy: -0.034 local terms energy: -348.189429 where: bonds (distance) C4'-P energy: -78.614 bonds (distance) P-C4' energy: -88.883 flat angles C4'-P-C4' energy: -86.612 flat angles P-C4'-P energy: -40.282 tors. eta vs tors. theta energy: -53.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -695.992588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.992588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.992588 (E_RNA) where: Base-Base interactions energy: -383.909 where: short stacking energy: -203.708 Base-Backbone interact. energy: 0.959 local terms energy: -313.041854 where: bonds (distance) C4'-P energy: -78.076 bonds (distance) P-C4' energy: -82.609 flat angles C4'-P-C4' energy: -69.044 flat angles P-C4'-P energy: -54.595 tors. eta vs tors. theta energy: -28.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -555.082947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.082947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.082947 (E_RNA) where: Base-Base interactions energy: -258.241 where: short stacking energy: -143.757 Base-Backbone interact. energy: 0.188 local terms energy: -297.030236 where: bonds (distance) C4'-P energy: -82.447 bonds (distance) P-C4' energy: -84.514 flat angles C4'-P-C4' energy: -82.611 flat angles P-C4'-P energy: -40.395 tors. eta vs tors. theta energy: -7.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -373.869396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.869396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.869396 (E_RNA) where: Base-Base interactions energy: -135.996 where: short stacking energy: -114.541 Base-Backbone interact. energy: 5.151 local terms energy: -243.024464 where: bonds (distance) C4'-P energy: -67.278 bonds (distance) P-C4' energy: -83.072 flat angles C4'-P-C4' energy: -64.052 flat angles P-C4'-P energy: -36.760 tors. eta vs tors. theta energy: 8.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1566.514367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.514367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.514367 (E_RNA) where: Base-Base interactions energy: -1051.575 where: short stacking energy: -467.486 Base-Backbone interact. energy: -4.284 local terms energy: -510.656083 where: bonds (distance) C4'-P energy: -79.053 bonds (distance) P-C4' energy: -105.353 flat angles C4'-P-C4' energy: -100.704 flat angles P-C4'-P energy: -73.923 tors. eta vs tors. theta energy: -151.623 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: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1466.747825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.747825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.747825 (E_RNA) where: Base-Base interactions energy: -984.193 where: short stacking energy: -433.133 Base-Backbone interact. energy: -3.556 local terms energy: -478.999367 where: bonds (distance) C4'-P energy: -87.063 bonds (distance) P-C4' energy: -92.816 flat angles C4'-P-C4' energy: -106.226 flat angles P-C4'-P energy: -63.553 tors. eta vs tors. theta energy: -129.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1446.180002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.180002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.180002 (E_RNA) where: Base-Base interactions energy: -962.158 where: short stacking energy: -455.015 Base-Backbone interact. energy: -0.109 local terms energy: -483.913262 where: bonds (distance) C4'-P energy: -86.931 bonds (distance) P-C4' energy: -89.178 flat angles C4'-P-C4' energy: -105.026 flat angles P-C4'-P energy: -66.485 tors. eta vs tors. theta energy: -136.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1291.754508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.754508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.754508 (E_RNA) where: Base-Base interactions energy: -865.843 where: short stacking energy: -396.210 Base-Backbone interact. energy: -1.449 local terms energy: -424.462423 where: bonds (distance) C4'-P energy: -90.467 bonds (distance) P-C4' energy: -83.526 flat angles C4'-P-C4' energy: -88.340 flat angles P-C4'-P energy: -56.253 tors. eta vs tors. theta energy: -105.875 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: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1034.109035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.109035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.109035 (E_RNA) where: Base-Base interactions energy: -636.604 where: short stacking energy: -282.465 Base-Backbone interact. energy: -1.734 local terms energy: -395.770775 where: bonds (distance) C4'-P energy: -86.138 bonds (distance) P-C4' energy: -92.418 flat angles C4'-P-C4' energy: -96.713 flat angles P-C4'-P energy: -61.990 tors. eta vs tors. theta energy: -58.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -901.376293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.376293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.376293 (E_RNA) where: Base-Base interactions energy: -571.219 where: short stacking energy: -278.091 Base-Backbone interact. energy: 0.351 local terms energy: -330.509083 where: bonds (distance) C4'-P energy: -70.993 bonds (distance) P-C4' energy: -86.327 flat angles C4'-P-C4' energy: -79.377 flat angles P-C4'-P energy: -43.419 tors. eta vs tors. theta energy: -50.393 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: 7, replica: 2 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -859.661063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.661063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.661063 (E_RNA) where: Base-Base interactions energy: -511.979 where: short stacking energy: -256.217 Base-Backbone interact. energy: 3.059 local terms energy: -350.741345 where: bonds (distance) C4'-P energy: -74.019 bonds (distance) P-C4' energy: -74.759 flat angles C4'-P-C4' energy: -93.436 flat angles P-C4'-P energy: -47.456 tors. eta vs tors. theta energy: -61.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -680.023515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.023515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.023515 (E_RNA) where: Base-Base interactions energy: -395.265 where: short stacking energy: -199.360 Base-Backbone interact. energy: 1.553 local terms energy: -286.311455 where: bonds (distance) C4'-P energy: -69.547 bonds (distance) P-C4' energy: -80.948 flat angles C4'-P-C4' energy: -81.215 flat angles P-C4'-P energy: -46.700 tors. eta vs tors. theta energy: -7.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -571.770958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.770958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.770958 (E_RNA) where: Base-Base interactions energy: -287.719 where: short stacking energy: -148.738 Base-Backbone interact. energy: -1.069 local terms energy: -282.982879 where: bonds (distance) C4'-P energy: -80.655 bonds (distance) P-C4' energy: -81.840 flat angles C4'-P-C4' energy: -72.657 flat angles P-C4'-P energy: -43.338 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -369.470459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.470459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.470459 (E_RNA) where: Base-Base interactions energy: -106.674 where: short stacking energy: -89.536 Base-Backbone interact. energy: 1.401 local terms energy: -264.196879 where: bonds (distance) C4'-P energy: -88.148 bonds (distance) P-C4' energy: -79.443 flat angles C4'-P-C4' energy: -69.374 flat angles P-C4'-P energy: -47.043 tors. eta vs tors. theta energy: 19.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1553.093549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.093549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.093549 (E_RNA) where: Base-Base interactions energy: -1056.440 where: short stacking energy: -457.935 Base-Backbone interact. energy: -3.455 local terms energy: -493.198379 where: bonds (distance) C4'-P energy: -88.272 bonds (distance) P-C4' energy: -88.976 flat angles C4'-P-C4' energy: -101.708 flat angles P-C4'-P energy: -73.609 tors. eta vs tors. theta energy: -140.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1456.426193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.426193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.426193 (E_RNA) where: Base-Base interactions energy: -966.724 where: short stacking energy: -432.440 Base-Backbone interact. energy: -3.543 local terms energy: -486.158781 where: bonds (distance) C4'-P energy: -100.945 bonds (distance) P-C4' energy: -91.832 flat angles C4'-P-C4' energy: -100.640 flat angles P-C4'-P energy: -68.030 tors. eta vs tors. theta energy: -124.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1393.283546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.283546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.283546 (E_RNA) where: Base-Base interactions energy: -916.189 where: short stacking energy: -418.197 Base-Backbone interact. energy: -2.101 local terms energy: -474.993930 where: bonds (distance) C4'-P energy: -103.615 bonds (distance) P-C4' energy: -95.607 flat angles C4'-P-C4' energy: -91.855 flat angles P-C4'-P energy: -64.965 tors. eta vs tors. theta energy: -118.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1262.237873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.237873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.237873 (E_RNA) where: Base-Base interactions energy: -821.583 where: short stacking energy: -360.931 Base-Backbone interact. energy: -0.751 local terms energy: -439.904297 where: bonds (distance) C4'-P energy: -83.929 bonds (distance) P-C4' energy: -89.296 flat angles C4'-P-C4' energy: -96.225 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: -105.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1023.206522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.206522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.206522 (E_RNA) where: Base-Base interactions energy: -648.430 where: short stacking energy: -313.944 Base-Backbone interact. energy: -0.793 local terms energy: -373.983328 where: bonds (distance) C4'-P energy: -93.869 bonds (distance) P-C4' energy: -77.464 flat angles C4'-P-C4' energy: -79.547 flat angles P-C4'-P energy: -52.014 tors. eta vs tors. theta energy: -71.089 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: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -956.381270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.381270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.381270 (E_RNA) where: Base-Base interactions energy: -562.985 where: short stacking energy: -277.260 Base-Backbone interact. energy: -1.626 local terms energy: -391.769989 where: bonds (distance) C4'-P energy: -89.242 bonds (distance) P-C4' energy: -91.699 flat angles C4'-P-C4' energy: -87.998 flat angles P-C4'-P energy: -60.466 tors. eta vs tors. theta energy: -62.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -773.621035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.621035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.621035 (E_RNA) where: Base-Base interactions energy: -463.899 where: short stacking energy: -265.034 Base-Backbone interact. energy: 1.140 local terms energy: -310.861694 where: bonds (distance) C4'-P energy: -85.171 bonds (distance) P-C4' energy: -65.393 flat angles C4'-P-C4' energy: -69.194 flat angles P-C4'-P energy: -45.491 tors. eta vs tors. theta energy: -45.612 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: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -694.768938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.768938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.768938 (E_RNA) where: Base-Base interactions energy: -371.269 where: short stacking energy: -184.340 Base-Backbone interact. energy: -2.237 local terms energy: -321.262950 where: bonds (distance) C4'-P energy: -81.161 bonds (distance) P-C4' energy: -76.860 flat angles C4'-P-C4' energy: -79.206 flat angles P-C4'-P energy: -52.757 tors. eta vs tors. theta energy: -31.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -564.664282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.664282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.664282 (E_RNA) where: Base-Base interactions energy: -272.993 where: short stacking energy: -152.456 Base-Backbone interact. energy: 0.019 local terms energy: -291.689496 where: bonds (distance) C4'-P energy: -73.814 bonds (distance) P-C4' energy: -93.790 flat angles C4'-P-C4' energy: -71.045 flat angles P-C4'-P energy: -47.744 tors. eta vs tors. theta energy: -5.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -371.943348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.943348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.943348 (E_RNA) where: Base-Base interactions energy: -121.271 where: short stacking energy: -100.694 Base-Backbone interact. energy: -1.915 local terms energy: -248.757851 where: bonds (distance) C4'-P energy: -73.258 bonds (distance) P-C4' energy: -93.013 flat angles C4'-P-C4' energy: -67.458 flat angles P-C4'-P energy: -36.739 tors. eta vs tors. theta energy: 21.710 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: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1571.780814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.780814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.780814 (E_RNA) where: Base-Base interactions energy: -1036.770 where: short stacking energy: -453.696 Base-Backbone interact. energy: -3.534 local terms energy: -531.476915 where: bonds (distance) C4'-P energy: -96.980 bonds (distance) P-C4' energy: -103.788 flat angles C4'-P-C4' energy: -104.132 flat angles P-C4'-P energy: -78.982 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: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1451.264961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.264961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.264961 (E_RNA) where: Base-Base interactions energy: -982.673 where: short stacking energy: -405.785 Base-Backbone interact. energy: -2.717 local terms energy: -465.874543 where: bonds (distance) C4'-P energy: -94.784 bonds (distance) P-C4' energy: -86.060 flat angles C4'-P-C4' energy: -106.249 flat angles P-C4'-P energy: -65.655 tors. eta vs tors. theta energy: -113.126 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: 3, replica: 4 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1364.683216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.683216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.683216 (E_RNA) where: Base-Base interactions energy: -914.840 where: short stacking energy: -416.670 Base-Backbone interact. energy: -1.019 local terms energy: -448.823504 where: bonds (distance) C4'-P energy: -80.300 bonds (distance) P-C4' energy: -82.616 flat angles C4'-P-C4' energy: -96.018 flat angles P-C4'-P energy: -61.380 tors. eta vs tors. theta energy: -128.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1233.101502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.101502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.101502 (E_RNA) where: Base-Base interactions energy: -803.985 where: short stacking energy: -384.216 Base-Backbone interact. energy: -2.536 local terms energy: -426.580237 where: bonds (distance) C4'-P energy: -78.845 bonds (distance) P-C4' energy: -86.970 flat angles C4'-P-C4' energy: -97.602 flat angles P-C4'-P energy: -54.760 tors. eta vs tors. theta energy: -108.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1107.747929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.747929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.747929 (E_RNA) where: Base-Base interactions energy: -691.820 where: short stacking energy: -322.868 Base-Backbone interact. energy: -2.327 local terms energy: -413.600755 where: bonds (distance) C4'-P energy: -88.723 bonds (distance) P-C4' energy: -83.437 flat angles C4'-P-C4' energy: -91.593 flat angles P-C4'-P energy: -70.199 tors. eta vs tors. theta energy: -79.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -903.762978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.762978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.762978 (E_RNA) where: Base-Base interactions energy: -540.712 where: short stacking energy: -266.490 Base-Backbone interact. energy: 0.371 local terms energy: -363.422010 where: bonds (distance) C4'-P energy: -79.078 bonds (distance) P-C4' energy: -96.499 flat angles C4'-P-C4' energy: -76.678 flat angles P-C4'-P energy: -58.747 tors. eta vs tors. theta energy: -52.421 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: 7, replica: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -793.827636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.827636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.827636 (E_RNA) where: Base-Base interactions energy: -442.186 where: short stacking energy: -219.743 Base-Backbone interact. energy: -1.878 local terms energy: -349.763395 where: bonds (distance) C4'-P energy: -84.277 bonds (distance) P-C4' energy: -89.469 flat angles C4'-P-C4' energy: -73.957 flat angles P-C4'-P energy: -60.014 tors. eta vs tors. theta energy: -42.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -660.655869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.655869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.655869 (E_RNA) where: Base-Base interactions energy: -353.500 where: short stacking energy: -187.698 Base-Backbone interact. energy: -2.704 local terms energy: -304.452332 where: bonds (distance) C4'-P energy: -85.208 bonds (distance) P-C4' energy: -85.914 flat angles C4'-P-C4' energy: -70.055 flat angles P-C4'-P energy: -46.590 tors. eta vs tors. theta energy: -16.686 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: 9, replica: 5 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -578.309401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.309401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.309401 (E_RNA) where: Base-Base interactions energy: -282.362 where: short stacking energy: -149.267 Base-Backbone interact. energy: -1.545 local terms energy: -294.402552 where: bonds (distance) C4'-P energy: -86.473 bonds (distance) P-C4' energy: -97.098 flat angles C4'-P-C4' energy: -71.086 flat angles P-C4'-P energy: -31.218 tors. eta vs tors. theta energy: -8.528 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: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -377.609795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.609795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.609795 (E_RNA) where: Base-Base interactions energy: -146.926 where: short stacking energy: -129.110 Base-Backbone interact. energy: 1.398 local terms energy: -232.081623 where: bonds (distance) C4'-P energy: -82.601 bonds (distance) P-C4' energy: -64.775 flat angles C4'-P-C4' energy: -55.606 flat angles P-C4'-P energy: -42.933 tors. eta vs tors. theta energy: 13.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1549.481968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.481968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.481968 (E_RNA) where: Base-Base interactions energy: -1034.690 where: short stacking energy: -443.376 Base-Backbone interact. energy: 3.012 local terms energy: -517.804141 where: bonds (distance) C4'-P energy: -101.623 bonds (distance) P-C4' energy: -95.517 flat angles C4'-P-C4' energy: -109.854 flat angles P-C4'-P energy: -76.069 tors. eta vs tors. theta energy: -134.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1462.243027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.243027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.243027 (E_RNA) where: Base-Base interactions energy: -991.905 where: short stacking energy: -408.799 Base-Backbone interact. energy: -0.650 local terms energy: -469.687896 where: bonds (distance) C4'-P energy: -82.531 bonds (distance) P-C4' energy: -95.632 flat angles C4'-P-C4' energy: -103.624 flat angles P-C4'-P energy: -70.718 tors. eta vs tors. theta energy: -117.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1372.255010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.255010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.255010 (E_RNA) where: Base-Base interactions energy: -915.062 where: short stacking energy: -418.463 Base-Backbone interact. energy: -2.393 local terms energy: -454.799290 where: bonds (distance) C4'-P energy: -84.691 bonds (distance) P-C4' energy: -94.192 flat angles C4'-P-C4' energy: -93.283 flat angles P-C4'-P energy: -62.094 tors. eta vs tors. theta energy: -120.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1214.376352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.376352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.376352 (E_RNA) where: Base-Base interactions energy: -776.133 where: short stacking energy: -375.388 Base-Backbone interact. energy: -1.777 local terms energy: -436.466406 where: bonds (distance) C4'-P energy: -84.447 bonds (distance) P-C4' energy: -94.822 flat angles C4'-P-C4' energy: -92.290 flat angles P-C4'-P energy: -60.678 tors. eta vs tors. theta energy: -104.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1087.272116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.272116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.272116 (E_RNA) where: Base-Base interactions energy: -675.767 where: short stacking energy: -306.701 Base-Backbone interact. energy: -1.349 local terms energy: -410.156407 where: bonds (distance) C4'-P energy: -80.562 bonds (distance) P-C4' energy: -92.890 flat angles C4'-P-C4' energy: -99.892 flat angles P-C4'-P energy: -57.892 tors. eta vs tors. theta energy: -78.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -947.865274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.865274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.865274 (E_RNA) where: Base-Base interactions energy: -576.468 where: short stacking energy: -292.795 Base-Backbone interact. energy: 0.115 local terms energy: -371.512489 where: bonds (distance) C4'-P energy: -82.616 bonds (distance) P-C4' energy: -83.776 flat angles C4'-P-C4' energy: -90.693 flat angles P-C4'-P energy: -50.414 tors. eta vs tors. theta energy: -64.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -835.310789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.310789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.310789 (E_RNA) where: Base-Base interactions energy: -469.534 where: short stacking energy: -237.374 Base-Backbone interact. energy: 3.780 local terms energy: -369.556971 where: bonds (distance) C4'-P energy: -86.677 bonds (distance) P-C4' energy: -81.056 flat angles C4'-P-C4' energy: -85.258 flat angles P-C4'-P energy: -64.778 tors. eta vs tors. theta energy: -51.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -701.642351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.642351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.642351 (E_RNA) where: Base-Base interactions energy: -383.351 where: short stacking energy: -230.521 Base-Backbone interact. energy: -1.338 local terms energy: -316.953741 where: bonds (distance) C4'-P energy: -72.267 bonds (distance) P-C4' energy: -83.041 flat angles C4'-P-C4' energy: -81.093 flat angles P-C4'-P energy: -55.343 tors. eta vs tors. theta energy: -25.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -548.770822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.770822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.770822 (E_RNA) where: Base-Base interactions energy: -259.746 where: short stacking energy: -142.123 Base-Backbone interact. energy: -2.007 local terms energy: -287.018037 where: bonds (distance) C4'-P energy: -81.317 bonds (distance) P-C4' energy: -92.529 flat angles C4'-P-C4' energy: -74.339 flat angles P-C4'-P energy: -33.741 tors. eta vs tors. theta energy: -5.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -418.950005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.950005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.950005 (E_RNA) where: Base-Base interactions energy: -173.612 where: short stacking energy: -116.872 Base-Backbone interact. energy: -1.961 local terms energy: -243.376968 where: bonds (distance) C4'-P energy: -71.043 bonds (distance) P-C4' energy: -91.846 flat angles C4'-P-C4' energy: -64.382 flat angles P-C4'-P energy: -45.879 tors. eta vs tors. theta energy: 29.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1542.777545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.777545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.777545 (E_RNA) where: Base-Base interactions energy: -1050.244 where: short stacking energy: -466.332 Base-Backbone interact. energy: -3.252 local terms energy: -489.280834 where: bonds (distance) C4'-P energy: -83.375 bonds (distance) P-C4' energy: -98.819 flat angles C4'-P-C4' energy: -93.238 flat angles P-C4'-P energy: -72.768 tors. eta vs tors. theta energy: -141.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1433.082317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.082317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.082317 (E_RNA) where: Base-Base interactions energy: -988.811 where: short stacking energy: -404.142 Base-Backbone interact. energy: -4.692 local terms energy: -439.579111 where: bonds (distance) C4'-P energy: -87.788 bonds (distance) P-C4' energy: -76.980 flat angles C4'-P-C4' energy: -105.237 flat angles P-C4'-P energy: -63.555 tors. eta vs tors. theta energy: -106.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1378.701689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.701689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.701689 (E_RNA) where: Base-Base interactions energy: -900.212 where: short stacking energy: -398.280 Base-Backbone interact. energy: -2.126 local terms energy: -476.364148 where: bonds (distance) C4'-P energy: -94.112 bonds (distance) P-C4' energy: -89.430 flat angles C4'-P-C4' energy: -103.917 flat angles P-C4'-P energy: -66.916 tors. eta vs tors. theta energy: -121.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1216.730106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.730106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.730106 (E_RNA) where: Base-Base interactions energy: -787.568 where: short stacking energy: -364.060 Base-Backbone interact. energy: -0.170 local terms energy: -428.992661 where: bonds (distance) C4'-P energy: -76.350 bonds (distance) P-C4' energy: -95.346 flat angles C4'-P-C4' energy: -90.328 flat angles P-C4'-P energy: -61.102 tors. eta vs tors. theta energy: -105.867 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: 7 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1083.014128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.014128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.014128 (E_RNA) where: Base-Base interactions energy: -686.960 where: short stacking energy: -307.581 Base-Backbone interact. energy: -2.220 local terms energy: -393.834137 where: bonds (distance) C4'-P energy: -80.731 bonds (distance) P-C4' energy: -88.847 flat angles C4'-P-C4' energy: -96.659 flat angles P-C4'-P energy: -63.527 tors. eta vs tors. theta energy: -64.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -940.032999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.032999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.032999 (E_RNA) where: Base-Base interactions energy: -562.355 where: short stacking energy: -285.033 Base-Backbone interact. energy: -1.839 local terms energy: -375.839168 where: bonds (distance) C4'-P energy: -85.441 bonds (distance) P-C4' energy: -101.699 flat angles C4'-P-C4' energy: -83.960 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: -62.140 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: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -861.105329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.105329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.105329 (E_RNA) where: Base-Base interactions energy: -522.165 where: short stacking energy: -229.964 Base-Backbone interact. energy: -4.467 local terms energy: -334.473122 where: bonds (distance) C4'-P energy: -82.648 bonds (distance) P-C4' energy: -83.501 flat angles C4'-P-C4' energy: -69.816 flat angles P-C4'-P energy: -55.670 tors. eta vs tors. theta energy: -42.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -627.485677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.485677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.485677 (E_RNA) where: Base-Base interactions energy: -325.881 where: short stacking energy: -161.436 Base-Backbone interact. energy: -2.606 local terms energy: -298.998731 where: bonds (distance) C4'-P energy: -75.688 bonds (distance) P-C4' energy: -93.086 flat angles C4'-P-C4' energy: -83.125 flat angles P-C4'-P energy: -37.506 tors. eta vs tors. theta energy: -9.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -548.761463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.761463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.761463 (E_RNA) where: Base-Base interactions energy: -278.772 where: short stacking energy: -142.421 Base-Backbone interact. energy: 1.047 local terms energy: -271.036451 where: bonds (distance) C4'-P energy: -89.363 bonds (distance) P-C4' energy: -85.359 flat angles C4'-P-C4' energy: -49.324 flat angles P-C4'-P energy: -44.731 tors. eta vs tors. theta energy: -2.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -384.718463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.718463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.718463 (E_RNA) where: Base-Base interactions energy: -133.046 where: short stacking energy: -105.595 Base-Backbone interact. energy: -0.282 local terms energy: -251.391134 where: bonds (distance) C4'-P energy: -80.836 bonds (distance) P-C4' energy: -91.285 flat angles C4'-P-C4' energy: -61.527 flat angles P-C4'-P energy: -26.518 tors. eta vs tors. theta energy: 8.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1546.689001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.689001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.689001 (E_RNA) where: Base-Base interactions energy: -1050.348 where: short stacking energy: -451.433 Base-Backbone interact. energy: -2.551 local terms energy: -493.790335 where: bonds (distance) C4'-P energy: -84.070 bonds (distance) P-C4' energy: -91.115 flat angles C4'-P-C4' energy: -104.952 flat angles P-C4'-P energy: -68.490 tors. eta vs tors. theta energy: -145.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1440.720512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.720512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.720512 (E_RNA) where: Base-Base interactions energy: -985.928 where: short stacking energy: -419.082 Base-Backbone interact. energy: -1.212 local terms energy: -453.580617 where: bonds (distance) C4'-P energy: -95.742 bonds (distance) P-C4' energy: -80.712 flat angles C4'-P-C4' energy: -97.940 flat angles P-C4'-P energy: -65.769 tors. eta vs tors. theta energy: -113.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1404.181551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.181551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.181551 (E_RNA) where: Base-Base interactions energy: -914.647 where: short stacking energy: -414.705 Base-Backbone interact. energy: -1.316 local terms energy: -488.218300 where: bonds (distance) C4'-P energy: -89.646 bonds (distance) P-C4' energy: -94.476 flat angles C4'-P-C4' energy: -114.746 flat angles P-C4'-P energy: -61.911 tors. eta vs tors. theta energy: -127.440 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: 10 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1239.917602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.917602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.917602 (E_RNA) where: Base-Base interactions energy: -812.241 where: short stacking energy: -370.137 Base-Backbone interact. energy: -1.654 local terms energy: -426.022996 where: bonds (distance) C4'-P energy: -86.833 bonds (distance) P-C4' energy: -85.699 flat angles C4'-P-C4' energy: -86.973 flat angles P-C4'-P energy: -60.426 tors. eta vs tors. theta energy: -106.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1082.622130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.622130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.622130 (E_RNA) where: Base-Base interactions energy: -685.864 where: short stacking energy: -296.139 Base-Backbone interact. energy: 0.413 local terms energy: -397.171429 where: bonds (distance) C4'-P energy: -92.361 bonds (distance) P-C4' energy: -104.483 flat angles C4'-P-C4' energy: -82.045 flat angles P-C4'-P energy: -51.086 tors. eta vs tors. theta energy: -67.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -911.251720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.251720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.251720 (E_RNA) where: Base-Base interactions energy: -541.088 where: short stacking energy: -277.691 Base-Backbone interact. energy: -0.773 local terms energy: -369.390807 where: bonds (distance) C4'-P energy: -71.397 bonds (distance) P-C4' energy: -86.217 flat angles C4'-P-C4' energy: -93.504 flat angles P-C4'-P energy: -57.140 tors. eta vs tors. theta energy: -61.133 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: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -887.941170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.941170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.941170 (E_RNA) where: Base-Base interactions energy: -549.307 where: short stacking energy: -259.321 Base-Backbone interact. energy: -1.613 local terms energy: -337.021764 where: bonds (distance) C4'-P energy: -68.480 bonds (distance) P-C4' energy: -71.253 flat angles C4'-P-C4' energy: -93.268 flat angles P-C4'-P energy: -52.404 tors. eta vs tors. theta energy: -51.617 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: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -658.605292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.605292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.605292 (E_RNA) where: Base-Base interactions energy: -351.681 where: short stacking energy: -173.036 Base-Backbone interact. energy: 5.727 local terms energy: -312.651310 where: bonds (distance) C4'-P energy: -83.420 bonds (distance) P-C4' energy: -85.433 flat angles C4'-P-C4' energy: -74.019 flat angles P-C4'-P energy: -44.519 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: 9, replica: 5 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -561.174169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.174169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.174169 (E_RNA) where: Base-Base interactions energy: -279.181 where: short stacking energy: -178.304 Base-Backbone interact. energy: 2.527 local terms energy: -284.520387 where: bonds (distance) C4'-P energy: -72.189 bonds (distance) P-C4' energy: -92.949 flat angles C4'-P-C4' energy: -66.622 flat angles P-C4'-P energy: -45.119 tors. eta vs tors. theta energy: -7.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -413.216013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.216013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.216013 (E_RNA) where: Base-Base interactions energy: -165.442 where: short stacking energy: -128.706 Base-Backbone interact. energy: -2.076 local terms energy: -245.697614 where: bonds (distance) C4'-P energy: -73.917 bonds (distance) P-C4' energy: -72.570 flat angles C4'-P-C4' energy: -71.563 flat angles P-C4'-P energy: -28.875 tors. eta vs tors. theta energy: 1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1547.430654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.430654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.430654 (E_RNA) where: Base-Base interactions energy: -1038.542 where: short stacking energy: -456.384 Base-Backbone interact. energy: -6.068 local terms energy: -502.820232 where: bonds (distance) C4'-P energy: -90.169 bonds (distance) P-C4' energy: -93.118 flat angles C4'-P-C4' energy: -109.664 flat angles P-C4'-P energy: -75.698 tors. eta vs tors. theta energy: -134.171 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: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1474.830603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.830603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.830603 (E_RNA) where: Base-Base interactions energy: -998.762 where: short stacking energy: -424.435 Base-Backbone interact. energy: -6.301 local terms energy: -469.767780 where: bonds (distance) C4'-P energy: -86.824 bonds (distance) P-C4' energy: -90.605 flat angles C4'-P-C4' energy: -106.241 flat angles P-C4'-P energy: -69.903 tors. eta vs tors. theta energy: -116.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1380.739416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.739416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.739416 (E_RNA) where: Base-Base interactions energy: -898.348 where: short stacking energy: -414.758 Base-Backbone interact. energy: -2.287 local terms energy: -480.105230 where: bonds (distance) C4'-P energy: -94.787 bonds (distance) P-C4' energy: -91.496 flat angles C4'-P-C4' energy: -110.936 flat angles P-C4'-P energy: -63.266 tors. eta vs tors. theta energy: -119.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1255.842351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.842351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.842351 (E_RNA) where: Base-Base interactions energy: -822.365 where: short stacking energy: -361.165 Base-Backbone interact. energy: -0.362 local terms energy: -433.115472 where: bonds (distance) C4'-P energy: -86.410 bonds (distance) P-C4' energy: -86.962 flat angles C4'-P-C4' energy: -90.261 flat angles P-C4'-P energy: -61.622 tors. eta vs tors. theta energy: -107.860 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: 7 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1138.157286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.157286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.157286 (E_RNA) where: Base-Base interactions energy: -745.639 where: short stacking energy: -352.961 Base-Backbone interact. energy: 4.502 local terms energy: -397.019974 where: bonds (distance) C4'-P energy: -72.149 bonds (distance) P-C4' energy: -84.117 flat angles C4'-P-C4' energy: -90.283 flat angles P-C4'-P energy: -63.188 tors. eta vs tors. theta energy: -87.283 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: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -926.922585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.922585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.922585 (E_RNA) where: Base-Base interactions energy: -557.000 where: short stacking energy: -275.358 Base-Backbone interact. energy: -0.134 local terms energy: -369.789221 where: bonds (distance) C4'-P energy: -83.708 bonds (distance) P-C4' energy: -83.471 flat angles C4'-P-C4' energy: -84.423 flat angles P-C4'-P energy: -57.144 tors. eta vs tors. theta energy: -61.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -892.217212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.217212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.217212 (E_RNA) where: Base-Base interactions energy: -547.206 where: short stacking energy: -250.278 Base-Backbone interact. energy: -1.475 local terms energy: -343.536191 where: bonds (distance) C4'-P energy: -66.765 bonds (distance) P-C4' energy: -91.279 flat angles C4'-P-C4' energy: -75.885 flat angles P-C4'-P energy: -53.217 tors. eta vs tors. theta energy: -56.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -629.785932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.785932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.785932 (E_RNA) where: Base-Base interactions energy: -335.150 where: short stacking energy: -182.130 Base-Backbone interact. energy: 0.452 local terms energy: -295.088106 where: bonds (distance) C4'-P energy: -73.938 bonds (distance) P-C4' energy: -70.126 flat angles C4'-P-C4' energy: -81.784 flat angles P-C4'-P energy: -53.302 tors. eta vs tors. theta energy: -15.938 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: 9, replica: 5 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -509.539921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.539921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.539921 (E_RNA) where: Base-Base interactions energy: -244.861 where: short stacking energy: -151.294 Base-Backbone interact. energy: -1.326 local terms energy: -263.352142 where: bonds (distance) C4'-P energy: -75.548 bonds (distance) P-C4' energy: -92.327 flat angles C4'-P-C4' energy: -56.491 flat angles P-C4'-P energy: -32.589 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -420.633794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.633794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.633794 (E_RNA) where: Base-Base interactions energy: -170.441 where: short stacking energy: -129.769 Base-Backbone interact. energy: -1.959 local terms energy: -248.233177 where: bonds (distance) C4'-P energy: -73.802 bonds (distance) P-C4' energy: -80.417 flat angles C4'-P-C4' energy: -81.158 flat angles P-C4'-P energy: -23.123 tors. eta vs tors. theta energy: 10.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1549.504960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.504960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.504960 (E_RNA) where: Base-Base interactions energy: -1037.817 where: short stacking energy: -486.106 Base-Backbone interact. energy: -3.771 local terms energy: -507.916906 where: bonds (distance) C4'-P energy: -89.225 bonds (distance) P-C4' energy: -92.796 flat angles C4'-P-C4' energy: -100.558 flat angles P-C4'-P energy: -79.013 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: 2, replica: 6 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1451.807032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.807032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.807032 (E_RNA) where: Base-Base interactions energy: -990.851 where: short stacking energy: -425.009 Base-Backbone interact. energy: -0.242 local terms energy: -460.714212 where: bonds (distance) C4'-P energy: -95.800 bonds (distance) P-C4' energy: -92.119 flat angles C4'-P-C4' energy: -93.434 flat angles P-C4'-P energy: -76.952 tors. eta vs tors. theta energy: -102.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1394.442844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.442844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.442844 (E_RNA) where: Base-Base interactions energy: -928.356 where: short stacking energy: -448.615 Base-Backbone interact. energy: -1.910 local terms energy: -464.177255 where: bonds (distance) C4'-P energy: -84.415 bonds (distance) P-C4' energy: -81.785 flat angles C4'-P-C4' energy: -98.654 flat angles P-C4'-P energy: -72.610 tors. eta vs tors. theta energy: -126.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1252.782014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.782014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.782014 (E_RNA) where: Base-Base interactions energy: -810.842 where: short stacking energy: -386.395 Base-Backbone interact. energy: -0.575 local terms energy: -441.365703 where: bonds (distance) C4'-P energy: -86.049 bonds (distance) P-C4' energy: -90.261 flat angles C4'-P-C4' energy: -96.954 flat angles P-C4'-P energy: -64.114 tors. eta vs tors. theta energy: -103.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1105.220544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.220544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.220544 (E_RNA) where: Base-Base interactions energy: -715.112 where: short stacking energy: -322.452 Base-Backbone interact. energy: -1.751 local terms energy: -388.356920 where: bonds (distance) C4'-P energy: -74.850 bonds (distance) P-C4' energy: -90.835 flat angles C4'-P-C4' energy: -85.407 flat angles P-C4'-P energy: -56.501 tors. eta vs tors. theta energy: -80.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -956.575644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.575644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.575644 (E_RNA) where: Base-Base interactions energy: -580.727 where: short stacking energy: -302.267 Base-Backbone interact. energy: -0.455 local terms energy: -375.393345 where: bonds (distance) C4'-P energy: -79.807 bonds (distance) P-C4' energy: -81.788 flat angles C4'-P-C4' energy: -98.651 flat angles P-C4'-P energy: -52.226 tors. eta vs tors. theta energy: -62.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -856.644041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.644041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.644041 (E_RNA) where: Base-Base interactions energy: -506.090 where: short stacking energy: -225.956 Base-Backbone interact. energy: -0.802 local terms energy: -349.751720 where: bonds (distance) C4'-P energy: -81.436 bonds (distance) P-C4' energy: -96.221 flat angles C4'-P-C4' energy: -96.993 flat angles P-C4'-P energy: -45.245 tors. eta vs tors. theta energy: -29.857 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: 3 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -702.875873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.875873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.875873 (E_RNA) where: Base-Base interactions energy: -393.903 where: short stacking energy: -195.504 Base-Backbone interact. energy: 0.098 local terms energy: -309.069994 where: bonds (distance) C4'-P energy: -64.758 bonds (distance) P-C4' energy: -96.893 flat angles C4'-P-C4' energy: -81.856 flat angles P-C4'-P energy: -47.830 tors. eta vs tors. theta energy: -17.732 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: 360 Temperature: 1.300000 Total energy: -525.494212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.494212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.494212 (E_RNA) where: Base-Base interactions energy: -260.816 where: short stacking energy: -145.023 Base-Backbone interact. energy: -2.943 local terms energy: -261.734511 where: bonds (distance) C4'-P energy: -75.814 bonds (distance) P-C4' energy: -83.431 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -42.861 tors. eta vs tors. theta energy: 12.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -359.204118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.204118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.204118 (E_RNA) where: Base-Base interactions energy: -105.919 where: short stacking energy: -87.933 Base-Backbone interact. energy: 1.907 local terms energy: -255.191448 where: bonds (distance) C4'-P energy: -96.016 bonds (distance) P-C4' energy: -69.578 flat angles C4'-P-C4' energy: -78.487 flat angles P-C4'-P energy: -21.959 tors. eta vs tors. theta energy: 10.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1575.028823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.028823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.028823 (E_RNA) where: Base-Base interactions energy: -1062.657 where: short stacking energy: -451.920 Base-Backbone interact. energy: -3.266 local terms energy: -509.105275 where: bonds (distance) C4'-P energy: -90.236 bonds (distance) P-C4' energy: -88.746 flat angles C4'-P-C4' energy: -96.577 flat angles P-C4'-P energy: -83.031 tors. eta vs tors. theta energy: -150.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1444.939934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.939934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.939934 (E_RNA) where: Base-Base interactions energy: -986.796 where: short stacking energy: -405.402 Base-Backbone interact. energy: 1.515 local terms energy: -459.659164 where: bonds (distance) C4'-P energy: -85.749 bonds (distance) P-C4' energy: -97.637 flat angles C4'-P-C4' energy: -102.568 flat angles P-C4'-P energy: -64.116 tors. eta vs tors. theta energy: -109.589 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: 3, replica: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1381.948846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.948846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.948846 (E_RNA) where: Base-Base interactions energy: -912.523 where: short stacking energy: -428.462 Base-Backbone interact. energy: -2.250 local terms energy: -467.176414 where: bonds (distance) C4'-P energy: -77.685 bonds (distance) P-C4' energy: -96.203 flat angles C4'-P-C4' energy: -104.745 flat angles P-C4'-P energy: -73.832 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: 4, replica: 10 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1258.647424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.647424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.647424 (E_RNA) where: Base-Base interactions energy: -812.074 where: short stacking energy: -372.936 Base-Backbone interact. energy: -2.217 local terms energy: -444.356623 where: bonds (distance) C4'-P energy: -82.231 bonds (distance) P-C4' energy: -85.621 flat angles C4'-P-C4' energy: -96.376 flat angles P-C4'-P energy: -65.876 tors. eta vs tors. theta energy: -114.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1121.999153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.999153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.999153 (E_RNA) where: Base-Base interactions energy: -728.641 where: short stacking energy: -316.067 Base-Backbone interact. energy: -0.841 local terms energy: -392.517315 where: bonds (distance) C4'-P energy: -68.373 bonds (distance) P-C4' energy: -83.528 flat angles C4'-P-C4' energy: -102.647 flat angles P-C4'-P energy: -64.504 tors. eta vs tors. theta energy: -73.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -896.407744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.407744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.407744 (E_RNA) where: Base-Base interactions energy: -533.517 where: short stacking energy: -260.897 Base-Backbone interact. energy: -0.867 local terms energy: -362.024572 where: bonds (distance) C4'-P energy: -80.492 bonds (distance) P-C4' energy: -91.402 flat angles C4'-P-C4' energy: -85.775 flat angles P-C4'-P energy: -48.476 tors. eta vs tors. theta energy: -55.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -834.018460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.018460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.018460 (E_RNA) where: Base-Base interactions energy: -506.715 where: short stacking energy: -234.424 Base-Backbone interact. energy: -3.251 local terms energy: -324.051972 where: bonds (distance) C4'-P energy: -70.321 bonds (distance) P-C4' energy: -83.007 flat angles C4'-P-C4' energy: -80.166 flat angles P-C4'-P energy: -53.303 tors. eta vs tors. theta energy: -37.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -707.540071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.540071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.540071 (E_RNA) where: Base-Base interactions energy: -367.372 where: short stacking energy: -209.548 Base-Backbone interact. energy: -1.430 local terms energy: -338.737220 where: bonds (distance) C4'-P energy: -84.548 bonds (distance) P-C4' energy: -88.947 flat angles C4'-P-C4' energy: -79.413 flat angles P-C4'-P energy: -41.925 tors. eta vs tors. theta energy: -43.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -536.912227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.912227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.912227 (E_RNA) where: Base-Base interactions energy: -256.729 where: short stacking energy: -178.173 Base-Backbone interact. energy: 2.999 local terms energy: -283.181446 where: bonds (distance) C4'-P energy: -70.636 bonds (distance) P-C4' energy: -85.941 flat angles C4'-P-C4' energy: -71.106 flat angles P-C4'-P energy: -44.751 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: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -427.030101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.030101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.030101 (E_RNA) where: Base-Base interactions energy: -153.719 where: short stacking energy: -100.605 Base-Backbone interact. energy: -1.653 local terms energy: -271.658270 where: bonds (distance) C4'-P energy: -95.636 bonds (distance) P-C4' energy: -83.323 flat angles C4'-P-C4' energy: -63.666 flat angles P-C4'-P energy: -35.611 tors. eta vs tors. theta energy: 6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1594.539258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.539258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.539258 (E_RNA) where: Base-Base interactions energy: -1063.442 where: short stacking energy: -478.868 Base-Backbone interact. energy: -6.351 local terms energy: -524.745863 where: bonds (distance) C4'-P energy: -92.459 bonds (distance) P-C4' energy: -102.090 flat angles C4'-P-C4' energy: -113.285 flat angles P-C4'-P energy: -71.296 tors. eta vs tors. theta energy: -145.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1438.230579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.230579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.230579 (E_RNA) where: Base-Base interactions energy: -954.118 where: short stacking energy: -413.966 Base-Backbone interact. energy: -3.179 local terms energy: -480.933378 where: bonds (distance) C4'-P energy: -93.696 bonds (distance) P-C4' energy: -97.162 flat angles C4'-P-C4' energy: -98.704 flat angles P-C4'-P energy: -72.181 tors. eta vs tors. theta energy: -119.191 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: 4 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1394.443658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.443658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.443658 (E_RNA) where: Base-Base interactions energy: -927.058 where: short stacking energy: -431.036 Base-Backbone interact. energy: -0.049 local terms energy: -467.336601 where: bonds (distance) C4'-P energy: -90.877 bonds (distance) P-C4' energy: -92.589 flat angles C4'-P-C4' energy: -92.548 flat angles P-C4'-P energy: -63.579 tors. eta vs tors. theta energy: -127.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1307.523141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.523141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.523141 (E_RNA) where: Base-Base interactions energy: -852.649 where: short stacking energy: -396.138 Base-Backbone interact. energy: -1.690 local terms energy: -453.183929 where: bonds (distance) C4'-P energy: -78.042 bonds (distance) P-C4' energy: -90.899 flat angles C4'-P-C4' energy: -104.772 flat angles P-C4'-P energy: -67.548 tors. eta vs tors. theta energy: -111.923 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: 7 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1118.927483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.927483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.927483 (E_RNA) where: Base-Base interactions energy: -743.920 where: short stacking energy: -320.440 Base-Backbone interact. energy: -2.820 local terms energy: -372.187306 where: bonds (distance) C4'-P energy: -72.959 bonds (distance) P-C4' energy: -81.986 flat angles C4'-P-C4' energy: -84.357 flat angles P-C4'-P energy: -62.366 tors. eta vs tors. theta energy: -70.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -931.713836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.713836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.713836 (E_RNA) where: Base-Base interactions energy: -560.742 where: short stacking energy: -280.518 Base-Backbone interact. energy: 0.882 local terms energy: -371.853980 where: bonds (distance) C4'-P energy: -72.343 bonds (distance) P-C4' energy: -90.248 flat angles C4'-P-C4' energy: -76.141 flat angles P-C4'-P energy: -66.022 tors. eta vs tors. theta energy: -67.101 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: 7, replica: 1 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -883.065041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.065041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.065041 (E_RNA) where: Base-Base interactions energy: -540.937 where: short stacking energy: -263.631 Base-Backbone interact. energy: -1.225 local terms energy: -340.903054 where: bonds (distance) C4'-P energy: -70.158 bonds (distance) P-C4' energy: -90.847 flat angles C4'-P-C4' energy: -81.011 flat angles P-C4'-P energy: -50.391 tors. eta vs tors. theta energy: -48.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -656.628900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.628900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.628900 (E_RNA) where: Base-Base interactions energy: -331.959 where: short stacking energy: -196.468 Base-Backbone interact. energy: -1.319 local terms energy: -323.350398 where: bonds (distance) C4'-P energy: -77.731 bonds (distance) P-C4' energy: -91.179 flat angles C4'-P-C4' energy: -73.790 flat angles P-C4'-P energy: -54.341 tors. eta vs tors. theta energy: -26.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -545.969802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.969802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.969802 (E_RNA) where: Base-Base interactions energy: -249.473 where: short stacking energy: -171.811 Base-Backbone interact. energy: -2.687 local terms energy: -293.809990 where: bonds (distance) C4'-P energy: -66.807 bonds (distance) P-C4' energy: -94.570 flat angles C4'-P-C4' energy: -88.319 flat angles P-C4'-P energy: -26.646 tors. eta vs tors. theta energy: -17.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -409.884860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.884860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.884860 (E_RNA) where: Base-Base interactions energy: -158.768 where: short stacking energy: -114.671 Base-Backbone interact. energy: 3.383 local terms energy: -254.499497 where: bonds (distance) C4'-P energy: -89.606 bonds (distance) P-C4' energy: -82.740 flat angles C4'-P-C4' energy: -66.126 flat angles P-C4'-P energy: -34.832 tors. eta vs tors. theta energy: 18.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1571.235264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.235264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.235264 (E_RNA) where: Base-Base interactions energy: -1059.183 where: short stacking energy: -470.064 Base-Backbone interact. energy: -2.245 local terms energy: -509.807091 where: bonds (distance) C4'-P energy: -95.244 bonds (distance) P-C4' energy: -96.445 flat angles C4'-P-C4' energy: -112.450 flat angles P-C4'-P energy: -65.229 tors. eta vs tors. theta energy: -140.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1474.469160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.469160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.469160 (E_RNA) where: Base-Base interactions energy: -999.863 where: short stacking energy: -400.607 Base-Backbone interact. energy: -3.099 local terms energy: -471.507451 where: bonds (distance) C4'-P energy: -86.520 bonds (distance) P-C4' energy: -102.062 flat angles C4'-P-C4' energy: -93.682 flat angles P-C4'-P energy: -74.725 tors. eta vs tors. theta energy: -114.519 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: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1370.560128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.560128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.560128 (E_RNA) where: Base-Base interactions energy: -891.604 where: short stacking energy: -407.272 Base-Backbone interact. energy: 2.885 local terms energy: -481.841479 where: bonds (distance) C4'-P energy: -94.012 bonds (distance) P-C4' energy: -94.746 flat angles C4'-P-C4' energy: -98.004 flat angles P-C4'-P energy: -67.951 tors. eta vs tors. theta energy: -127.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1287.188704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.188704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.188704 (E_RNA) where: Base-Base interactions energy: -848.567 where: short stacking energy: -388.672 Base-Backbone interact. energy: -0.707 local terms energy: -437.914701 where: bonds (distance) C4'-P energy: -81.671 bonds (distance) P-C4' energy: -93.073 flat angles C4'-P-C4' energy: -101.883 flat angles P-C4'-P energy: -48.658 tors. eta vs tors. theta energy: -112.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1176.922052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.922052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.922052 (E_RNA) where: Base-Base interactions energy: -767.059 where: short stacking energy: -354.525 Base-Backbone interact. energy: 2.955 local terms energy: -412.818321 where: bonds (distance) C4'-P energy: -94.103 bonds (distance) P-C4' energy: -88.412 flat angles C4'-P-C4' energy: -85.047 flat angles P-C4'-P energy: -59.096 tors. eta vs tors. theta energy: -86.161 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: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -913.484125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.484125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.484125 (E_RNA) where: Base-Base interactions energy: -533.631 where: short stacking energy: -271.105 Base-Backbone interact. energy: -1.529 local terms energy: -378.323437 where: bonds (distance) C4'-P energy: -94.304 bonds (distance) P-C4' energy: -79.238 flat angles C4'-P-C4' energy: -86.642 flat angles P-C4'-P energy: -47.526 tors. eta vs tors. theta energy: -70.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -897.099701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.099701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.099701 (E_RNA) where: Base-Base interactions energy: -537.210 where: short stacking energy: -240.239 Base-Backbone interact. energy: 2.424 local terms energy: -362.313165 where: bonds (distance) C4'-P energy: -83.704 bonds (distance) P-C4' energy: -94.827 flat angles C4'-P-C4' energy: -87.560 flat angles P-C4'-P energy: -54.251 tors. eta vs tors. theta energy: -41.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -664.544444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.544444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.544444 (E_RNA) where: Base-Base interactions energy: -356.717 where: short stacking energy: -188.754 Base-Backbone interact. energy: -1.690 local terms energy: -306.137415 where: bonds (distance) C4'-P energy: -78.019 bonds (distance) P-C4' energy: -87.643 flat angles C4'-P-C4' energy: -76.483 flat angles P-C4'-P energy: -39.959 tors. eta vs tors. theta energy: -24.034 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: 9, replica: 5 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -533.049581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.049581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.049581 (E_RNA) where: Base-Base interactions energy: -263.328 where: short stacking energy: -158.221 Base-Backbone interact. energy: -1.345 local terms energy: -268.377184 where: bonds (distance) C4'-P energy: -71.564 bonds (distance) P-C4' energy: -86.051 flat angles C4'-P-C4' energy: -72.041 flat angles P-C4'-P energy: -36.036 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -435.347990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.347990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.347990 (E_RNA) where: Base-Base interactions energy: -171.637 where: short stacking energy: -99.529 Base-Backbone interact. energy: 6.705 local terms energy: -270.415469 where: bonds (distance) C4'-P energy: -64.327 bonds (distance) P-C4' energy: -90.739 flat angles C4'-P-C4' energy: -70.270 flat angles P-C4'-P energy: -50.707 tors. eta vs tors. theta energy: 5.627 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: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1553.863367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.863367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.863367 (E_RNA) where: Base-Base interactions energy: -1045.041 where: short stacking energy: -458.448 Base-Backbone interact. energy: -3.246 local terms energy: -505.576245 where: bonds (distance) C4'-P energy: -96.266 bonds (distance) P-C4' energy: -93.081 flat angles C4'-P-C4' energy: -105.951 flat angles P-C4'-P energy: -68.160 tors. eta vs tors. theta energy: -142.118 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: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1473.924939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.924939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.924939 (E_RNA) where: Base-Base interactions energy: -981.081 where: short stacking energy: -411.391 Base-Backbone interact. energy: -1.565 local terms energy: -491.279107 where: bonds (distance) C4'-P energy: -92.806 bonds (distance) P-C4' energy: -95.793 flat angles C4'-P-C4' energy: -110.888 flat angles P-C4'-P energy: -76.788 tors. eta vs tors. theta energy: -115.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1372.237210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.237210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.237210 (E_RNA) where: Base-Base interactions energy: -892.948 where: short stacking energy: -398.163 Base-Backbone interact. energy: -3.742 local terms energy: -475.547126 where: bonds (distance) C4'-P energy: -90.121 bonds (distance) P-C4' energy: -105.771 flat angles C4'-P-C4' energy: -100.888 flat angles P-C4'-P energy: -67.225 tors. eta vs tors. theta energy: -111.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1273.803893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.803893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.803893 (E_RNA) where: Base-Base interactions energy: -826.862 where: short stacking energy: -386.536 Base-Backbone interact. energy: -0.975 local terms energy: -445.967014 where: bonds (distance) C4'-P energy: -96.017 bonds (distance) P-C4' energy: -89.695 flat angles C4'-P-C4' energy: -102.554 flat angles P-C4'-P energy: -55.988 tors. eta vs tors. theta energy: -101.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1129.715132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.715132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.715132 (E_RNA) where: Base-Base interactions energy: -749.541 where: short stacking energy: -326.519 Base-Backbone interact. energy: -0.201 local terms energy: -379.973208 where: bonds (distance) C4'-P energy: -90.137 bonds (distance) P-C4' energy: -69.877 flat angles C4'-P-C4' energy: -92.910 flat angles P-C4'-P energy: -57.136 tors. eta vs tors. theta energy: -69.914 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: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -900.501414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.501414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.501414 (E_RNA) where: Base-Base interactions energy: -507.728 where: short stacking energy: -275.365 Base-Backbone interact. energy: 1.234 local terms energy: -394.007100 where: bonds (distance) C4'-P energy: -82.773 bonds (distance) P-C4' energy: -85.837 flat angles C4'-P-C4' energy: -97.441 flat angles P-C4'-P energy: -57.913 tors. eta vs tors. theta energy: -70.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -944.367650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.367650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.367650 (E_RNA) where: Base-Base interactions energy: -588.333 where: short stacking energy: -284.501 Base-Backbone interact. energy: -0.994 local terms energy: -355.040734 where: bonds (distance) C4'-P energy: -68.059 bonds (distance) P-C4' energy: -86.512 flat angles C4'-P-C4' energy: -82.916 flat angles P-C4'-P energy: -55.519 tors. eta vs tors. theta energy: -62.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -647.307993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.307993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.307993 (E_RNA) where: Base-Base interactions energy: -349.548 where: short stacking energy: -197.368 Base-Backbone interact. energy: -1.485 local terms energy: -296.274679 where: bonds (distance) C4'-P energy: -71.974 bonds (distance) P-C4' energy: -84.183 flat angles C4'-P-C4' energy: -77.300 flat angles P-C4'-P energy: -43.959 tors. eta vs tors. theta energy: -18.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -530.449575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.449575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.449575 (E_RNA) where: Base-Base interactions energy: -252.119 where: short stacking energy: -148.130 Base-Backbone interact. energy: 0.249 local terms energy: -278.579746 where: bonds (distance) C4'-P energy: -74.606 bonds (distance) P-C4' energy: -83.295 flat angles C4'-P-C4' energy: -75.674 flat angles P-C4'-P energy: -43.662 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -534.865099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.865099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.865099 (E_RNA) where: Base-Base interactions energy: -226.445 where: short stacking energy: -121.178 Base-Backbone interact. energy: 2.379 local terms energy: -310.799171 where: bonds (distance) C4'-P energy: -81.427 bonds (distance) P-C4' energy: -100.756 flat angles C4'-P-C4' energy: -72.810 flat angles P-C4'-P energy: -49.107 tors. eta vs tors. theta energy: -6.698 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: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1552.889077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.889077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.889077 (E_RNA) where: Base-Base interactions energy: -1056.970 where: short stacking energy: -481.060 Base-Backbone interact. energy: -2.821 local terms energy: -493.097338 where: bonds (distance) C4'-P energy: -92.824 bonds (distance) P-C4' energy: -87.734 flat angles C4'-P-C4' energy: -110.110 flat angles P-C4'-P energy: -64.679 tors. eta vs tors. theta energy: -137.750 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: 6 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1460.486196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.486196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.486196 (E_RNA) where: Base-Base interactions energy: -980.253 where: short stacking energy: -389.752 Base-Backbone interact. energy: -1.608 local terms energy: -478.624948 where: bonds (distance) C4'-P energy: -95.601 bonds (distance) P-C4' energy: -98.556 flat angles C4'-P-C4' energy: -107.535 flat angles P-C4'-P energy: -62.563 tors. eta vs tors. theta energy: -114.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1356.028527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.028527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.028527 (E_RNA) where: Base-Base interactions energy: -901.919 where: short stacking energy: -407.526 Base-Backbone interact. energy: -1.481 local terms energy: -452.628146 where: bonds (distance) C4'-P energy: -78.795 bonds (distance) P-C4' energy: -94.348 flat angles C4'-P-C4' energy: -100.197 flat angles P-C4'-P energy: -66.456 tors. eta vs tors. theta energy: -112.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1257.104617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.104617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.104617 (E_RNA) where: Base-Base interactions energy: -817.674 where: short stacking energy: -359.739 Base-Backbone interact. energy: -1.266 local terms energy: -438.163941 where: bonds (distance) C4'-P energy: -92.156 bonds (distance) P-C4' energy: -96.280 flat angles C4'-P-C4' energy: -86.198 flat angles P-C4'-P energy: -65.038 tors. eta vs tors. theta energy: -98.492 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: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1204.885806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.885806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.885806 (E_RNA) where: Base-Base interactions energy: -774.553 where: short stacking energy: -346.294 Base-Backbone interact. energy: -2.482 local terms energy: -427.850108 where: bonds (distance) C4'-P energy: -76.956 bonds (distance) P-C4' energy: -100.703 flat angles C4'-P-C4' energy: -100.570 flat angles P-C4'-P energy: -60.983 tors. eta vs tors. theta energy: -88.637 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: 365 Temperature: 1.150000 Total energy: -932.290952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.290952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.290952 (E_RNA) where: Base-Base interactions energy: -560.715 where: short stacking energy: -269.220 Base-Backbone interact. energy: -0.774 local terms energy: -370.802006 where: bonds (distance) C4'-P energy: -80.234 bonds (distance) P-C4' energy: -91.989 flat angles C4'-P-C4' energy: -83.613 flat angles P-C4'-P energy: -52.741 tors. eta vs tors. theta energy: -62.225 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: 2 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -870.239070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.239070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.239070 (E_RNA) where: Base-Base interactions energy: -521.422 where: short stacking energy: -254.486 Base-Backbone interact. energy: 0.197 local terms energy: -349.014290 where: bonds (distance) C4'-P energy: -75.273 bonds (distance) P-C4' energy: -85.438 flat angles C4'-P-C4' energy: -88.855 flat angles P-C4'-P energy: -47.155 tors. eta vs tors. theta energy: -52.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -666.731636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.731636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.731636 (E_RNA) where: Base-Base interactions energy: -383.705 where: short stacking energy: -206.140 Base-Backbone interact. energy: -2.393 local terms energy: -280.634397 where: bonds (distance) C4'-P energy: -65.160 bonds (distance) P-C4' energy: -79.381 flat angles C4'-P-C4' energy: -70.930 flat angles P-C4'-P energy: -43.203 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: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -467.327073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.327073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.327073 (E_RNA) where: Base-Base interactions energy: -187.036 where: short stacking energy: -132.111 Base-Backbone interact. energy: -2.056 local terms energy: -278.234531 where: bonds (distance) C4'-P energy: -77.363 bonds (distance) P-C4' energy: -78.391 flat angles C4'-P-C4' energy: -85.146 flat angles P-C4'-P energy: -42.985 tors. eta vs tors. theta energy: 5.650 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: 5 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -490.259974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.259974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.259974 (E_RNA) where: Base-Base interactions energy: -209.495 where: short stacking energy: -116.601 Base-Backbone interact. energy: -3.791 local terms energy: -276.973230 where: bonds (distance) C4'-P energy: -77.118 bonds (distance) P-C4' energy: -84.782 flat angles C4'-P-C4' energy: -86.970 flat angles P-C4'-P energy: -43.865 tors. eta vs tors. theta energy: 15.761 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: 1, replica: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1538.601182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.601182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.601182 (E_RNA) where: Base-Base interactions energy: -1032.890 where: short stacking energy: -470.224 Base-Backbone interact. energy: -4.974 local terms energy: -500.737158 where: bonds (distance) C4'-P energy: -94.857 bonds (distance) P-C4' energy: -98.201 flat angles C4'-P-C4' energy: -105.076 flat angles P-C4'-P energy: -68.752 tors. eta vs tors. theta energy: -133.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1470.780893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.780893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.780893 (E_RNA) where: Base-Base interactions energy: -994.225 where: short stacking energy: -412.373 Base-Backbone interact. energy: -2.332 local terms energy: -474.223669 where: bonds (distance) C4'-P energy: -91.407 bonds (distance) P-C4' energy: -90.432 flat angles C4'-P-C4' energy: -111.763 flat angles P-C4'-P energy: -55.820 tors. eta vs tors. theta energy: -124.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1387.774282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.774282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.774282 (E_RNA) where: Base-Base interactions energy: -916.815 where: short stacking energy: -422.153 Base-Backbone interact. energy: 1.034 local terms energy: -471.993032 where: bonds (distance) C4'-P energy: -81.046 bonds (distance) P-C4' energy: -88.958 flat angles C4'-P-C4' energy: -104.124 flat angles P-C4'-P energy: -66.799 tors. eta vs tors. theta energy: -131.066 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: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1293.620720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.620720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.620720 (E_RNA) where: Base-Base interactions energy: -848.858 where: short stacking energy: -381.597 Base-Backbone interact. energy: -1.058 local terms energy: -443.705230 where: bonds (distance) C4'-P energy: -88.174 bonds (distance) P-C4' energy: -90.215 flat angles C4'-P-C4' energy: -100.119 flat angles P-C4'-P energy: -59.680 tors. eta vs tors. theta energy: -105.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1199.013409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.013409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.013409 (E_RNA) where: Base-Base interactions energy: -774.467 where: short stacking energy: -340.190 Base-Backbone interact. energy: 1.144 local terms energy: -425.690043 where: bonds (distance) C4'-P energy: -95.491 bonds (distance) P-C4' energy: -88.270 flat angles C4'-P-C4' energy: -101.412 flat angles P-C4'-P energy: -58.878 tors. eta vs tors. theta energy: -81.639 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: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -904.664846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.664846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.664846 (E_RNA) where: Base-Base interactions energy: -529.474 where: short stacking energy: -254.573 Base-Backbone interact. energy: -1.116 local terms energy: -374.075400 where: bonds (distance) C4'-P energy: -91.726 bonds (distance) P-C4' energy: -99.380 flat angles C4'-P-C4' energy: -82.306 flat angles P-C4'-P energy: -43.689 tors. eta vs tors. theta energy: -56.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -871.861029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.861029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.861029 (E_RNA) where: Base-Base interactions energy: -521.871 where: short stacking energy: -278.217 Base-Backbone interact. energy: -1.338 local terms energy: -348.652510 where: bonds (distance) C4'-P energy: -75.343 bonds (distance) P-C4' energy: -77.496 flat angles C4'-P-C4' energy: -73.279 flat angles P-C4'-P energy: -62.010 tors. eta vs tors. theta energy: -60.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -688.848415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.848415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.848415 (E_RNA) where: Base-Base interactions energy: -383.341 where: short stacking energy: -197.079 Base-Backbone interact. energy: 2.844 local terms energy: -308.351065 where: bonds (distance) C4'-P energy: -81.538 bonds (distance) P-C4' energy: -80.811 flat angles C4'-P-C4' energy: -76.926 flat angles P-C4'-P energy: -42.274 tors. eta vs tors. theta energy: -26.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -543.505274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.505274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.505274 (E_RNA) where: Base-Base interactions energy: -251.169 where: short stacking energy: -158.699 Base-Backbone interact. energy: 0.342 local terms energy: -292.678471 where: bonds (distance) C4'-P energy: -78.789 bonds (distance) P-C4' energy: -84.954 flat angles C4'-P-C4' energy: -86.454 flat angles P-C4'-P energy: -34.543 tors. eta vs tors. theta energy: -7.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -419.076212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.076212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.076212 (E_RNA) where: Base-Base interactions energy: -152.957 where: short stacking energy: -91.920 Base-Backbone interact. energy: -0.959 local terms energy: -265.160112 where: bonds (distance) C4'-P energy: -91.586 bonds (distance) P-C4' energy: -81.637 flat angles C4'-P-C4' energy: -61.693 flat angles P-C4'-P energy: -47.077 tors. eta vs tors. theta energy: 16.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1557.904902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.904902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.904902 (E_RNA) where: Base-Base interactions energy: -1061.411 where: short stacking energy: -465.663 Base-Backbone interact. energy: -5.547 local terms energy: -490.947430 where: bonds (distance) C4'-P energy: -85.769 bonds (distance) P-C4' energy: -97.516 flat angles C4'-P-C4' energy: -100.449 flat angles P-C4'-P energy: -62.036 tors. eta vs tors. theta energy: -145.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1499.285215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.285215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.285215 (E_RNA) where: Base-Base interactions energy: -987.546 where: short stacking energy: -412.804 Base-Backbone interact. energy: -7.536 local terms energy: -504.203318 where: bonds (distance) C4'-P energy: -95.093 bonds (distance) P-C4' energy: -94.434 flat angles C4'-P-C4' energy: -108.284 flat angles P-C4'-P energy: -77.949 tors. eta vs tors. theta energy: -128.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1426.991477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.991477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.991477 (E_RNA) where: Base-Base interactions energy: -942.406 where: short stacking energy: -442.187 Base-Backbone interact. energy: 0.106 local terms energy: -484.691166 where: bonds (distance) C4'-P energy: -90.771 bonds (distance) P-C4' energy: -84.676 flat angles C4'-P-C4' energy: -109.998 flat angles P-C4'-P energy: -72.161 tors. eta vs tors. theta energy: -127.087 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: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1311.023748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.023748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.023748 (E_RNA) where: Base-Base interactions energy: -849.539 where: short stacking energy: -379.822 Base-Backbone interact. energy: -1.201 local terms energy: -460.283777 where: bonds (distance) C4'-P energy: -92.254 bonds (distance) P-C4' energy: -96.368 flat angles C4'-P-C4' energy: -84.200 flat angles P-C4'-P energy: -70.677 tors. eta vs tors. theta energy: -116.786 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: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1172.914602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.914602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.914602 (E_RNA) where: Base-Base interactions energy: -796.194 where: short stacking energy: -338.325 Base-Backbone interact. energy: -0.130 local terms energy: -376.590506 where: bonds (distance) C4'-P energy: -73.092 bonds (distance) P-C4' energy: -79.936 flat angles C4'-P-C4' energy: -102.883 flat angles P-C4'-P energy: -49.736 tors. eta vs tors. theta energy: -70.943 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: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -931.592059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.592059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.592059 (E_RNA) where: Base-Base interactions energy: -540.250 where: short stacking energy: -271.025 Base-Backbone interact. energy: -2.692 local terms energy: -388.650059 where: bonds (distance) C4'-P energy: -96.711 bonds (distance) P-C4' energy: -82.373 flat angles C4'-P-C4' energy: -89.565 flat angles P-C4'-P energy: -59.845 tors. eta vs tors. theta energy: -60.156 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: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -896.712381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.712381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.712381 (E_RNA) where: Base-Base interactions energy: -537.756 where: short stacking energy: -249.402 Base-Backbone interact. energy: -1.505 local terms energy: -357.452005 where: bonds (distance) C4'-P energy: -83.506 bonds (distance) P-C4' energy: -89.057 flat angles C4'-P-C4' energy: -86.754 flat angles P-C4'-P energy: -37.015 tors. eta vs tors. theta energy: -61.120 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: 3 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -658.621854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.621854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.621854 (E_RNA) where: Base-Base interactions energy: -323.014 where: short stacking energy: -179.431 Base-Backbone interact. energy: 2.808 local terms energy: -338.415372 where: bonds (distance) C4'-P energy: -80.772 bonds (distance) P-C4' energy: -89.253 flat angles C4'-P-C4' energy: -87.984 flat angles P-C4'-P energy: -48.663 tors. eta vs tors. theta energy: -31.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -600.083871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.083871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.083871 (E_RNA) where: Base-Base interactions energy: -277.278 where: short stacking energy: -184.811 Base-Backbone interact. energy: -0.332 local terms energy: -322.473945 where: bonds (distance) C4'-P energy: -75.369 bonds (distance) P-C4' energy: -87.577 flat angles C4'-P-C4' energy: -86.360 flat angles P-C4'-P energy: -51.793 tors. eta vs tors. theta energy: -21.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -390.616764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.616764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.616764 (E_RNA) where: Base-Base interactions energy: -159.652 where: short stacking energy: -93.717 Base-Backbone interact. energy: 3.222 local terms energy: -234.186406 where: bonds (distance) C4'-P energy: -63.927 bonds (distance) P-C4' energy: -90.439 flat angles C4'-P-C4' energy: -59.802 flat angles P-C4'-P energy: -35.160 tors. eta vs tors. theta energy: 15.142 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: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1574.805967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.805967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.805967 (E_RNA) where: Base-Base interactions energy: -1055.991 where: short stacking energy: -471.018 Base-Backbone interact. energy: 0.743 local terms energy: -519.557514 where: bonds (distance) C4'-P energy: -97.416 bonds (distance) P-C4' energy: -102.294 flat angles C4'-P-C4' energy: -106.375 flat angles P-C4'-P energy: -71.822 tors. eta vs tors. theta energy: -141.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1522.366485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.366485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.366485 (E_RNA) where: Base-Base interactions energy: -1048.683 where: short stacking energy: -460.308 Base-Backbone interact. energy: 2.143 local terms energy: -475.825949 where: bonds (distance) C4'-P energy: -81.076 bonds (distance) P-C4' energy: -87.355 flat angles C4'-P-C4' energy: -107.780 flat angles P-C4'-P energy: -69.171 tors. eta vs tors. theta energy: -130.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1394.342414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.342414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.342414 (E_RNA) where: Base-Base interactions energy: -916.943 where: short stacking energy: -411.996 Base-Backbone interact. energy: 0.709 local terms energy: -478.108897 where: bonds (distance) C4'-P energy: -93.242 bonds (distance) P-C4' energy: -99.134 flat angles C4'-P-C4' energy: -105.008 flat angles P-C4'-P energy: -51.204 tors. eta vs tors. theta energy: -129.520 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: 10 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1236.159436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.159436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.159436 (E_RNA) where: Base-Base interactions energy: -794.084 where: short stacking energy: -365.175 Base-Backbone interact. energy: -0.810 local terms energy: -441.265804 where: bonds (distance) C4'-P energy: -94.491 bonds (distance) P-C4' energy: -82.469 flat angles C4'-P-C4' energy: -93.290 flat angles P-C4'-P energy: -66.922 tors. eta vs tors. theta energy: -104.095 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: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1127.088590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.088590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.088590 (E_RNA) where: Base-Base interactions energy: -736.370 where: short stacking energy: -327.231 Base-Backbone interact. energy: -1.676 local terms energy: -389.043336 where: bonds (distance) C4'-P energy: -76.423 bonds (distance) P-C4' energy: -94.003 flat angles C4'-P-C4' energy: -96.394 flat angles P-C4'-P energy: -48.678 tors. eta vs tors. theta energy: -73.544 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: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -994.484951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.484951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.484951 (E_RNA) where: Base-Base interactions energy: -582.242 where: short stacking energy: -318.901 Base-Backbone interact. energy: -1.742 local terms energy: -410.500551 where: bonds (distance) C4'-P energy: -83.975 bonds (distance) P-C4' energy: -97.481 flat angles C4'-P-C4' energy: -83.053 flat angles P-C4'-P energy: -58.375 tors. eta vs tors. theta energy: -87.616 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: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -858.542599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.542599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.542599 (E_RNA) where: Base-Base interactions energy: -537.193 where: short stacking energy: -257.930 Base-Backbone interact. energy: -1.546 local terms energy: -319.803391 where: bonds (distance) C4'-P energy: -71.153 bonds (distance) P-C4' energy: -87.065 flat angles C4'-P-C4' energy: -87.048 flat angles P-C4'-P energy: -35.516 tors. eta vs tors. theta energy: -39.021 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: 3 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -666.436191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.436191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.436191 (E_RNA) where: Base-Base interactions energy: -386.710 where: short stacking energy: -218.930 Base-Backbone interact. energy: -1.313 local terms energy: -278.413585 where: bonds (distance) C4'-P energy: -69.984 bonds (distance) P-C4' energy: -66.946 flat angles C4'-P-C4' energy: -77.131 flat angles P-C4'-P energy: -46.852 tors. eta vs tors. theta energy: -17.500 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: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -552.335387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.335387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.335387 (E_RNA) where: Base-Base interactions energy: -266.782 where: short stacking energy: -158.672 Base-Backbone interact. energy: -0.451 local terms energy: -285.102043 where: bonds (distance) C4'-P energy: -82.631 bonds (distance) P-C4' energy: -80.343 flat angles C4'-P-C4' energy: -77.009 flat angles P-C4'-P energy: -33.106 tors. eta vs tors. theta energy: -12.015 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: 368 Temperature: 1.350000 Total energy: -410.740634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.740634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.740634 (E_RNA) where: Base-Base interactions energy: -165.340 where: short stacking energy: -116.135 Base-Backbone interact. energy: 3.092 local terms energy: -248.492417 where: bonds (distance) C4'-P energy: -74.115 bonds (distance) P-C4' energy: -79.847 flat angles C4'-P-C4' energy: -66.103 flat angles P-C4'-P energy: -34.745 tors. eta vs tors. theta energy: 6.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1566.516624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.516624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.516624 (E_RNA) where: Base-Base interactions energy: -1049.552 where: short stacking energy: -462.337 Base-Backbone interact. energy: -7.670 local terms energy: -509.294447 where: bonds (distance) C4'-P energy: -94.355 bonds (distance) P-C4' energy: -93.860 flat angles C4'-P-C4' energy: -105.511 flat angles P-C4'-P energy: -67.220 tors. eta vs tors. theta energy: -148.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1525.299825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.299825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.299825 (E_RNA) where: Base-Base interactions energy: -1036.310 where: short stacking energy: -436.984 Base-Backbone interact. energy: -1.514 local terms energy: -487.476152 where: bonds (distance) C4'-P energy: -90.585 bonds (distance) P-C4' energy: -91.033 flat angles C4'-P-C4' energy: -107.651 flat angles P-C4'-P energy: -63.983 tors. eta vs tors. theta energy: -134.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1494.765430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.765430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.765430 (E_RNA) where: Base-Base interactions energy: -985.669 where: short stacking energy: -474.413 Base-Backbone interact. energy: -2.155 local terms energy: -506.941860 where: bonds (distance) C4'-P energy: -90.093 bonds (distance) P-C4' energy: -95.426 flat angles C4'-P-C4' energy: -108.508 flat angles P-C4'-P energy: -70.588 tors. eta vs tors. theta energy: -142.326 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: 10 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1273.942329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.942329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.942329 (E_RNA) where: Base-Base interactions energy: -838.354 where: short stacking energy: -369.852 Base-Backbone interact. energy: 2.127 local terms energy: -437.715580 where: bonds (distance) C4'-P energy: -92.111 bonds (distance) P-C4' energy: -94.356 flat angles C4'-P-C4' energy: -88.792 flat angles P-C4'-P energy: -70.760 tors. eta vs tors. theta energy: -91.696 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: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1119.476473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.476473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.476473 (E_RNA) where: Base-Base interactions energy: -714.051 where: short stacking energy: -327.527 Base-Backbone interact. energy: -1.993 local terms energy: -403.432829 where: bonds (distance) C4'-P energy: -81.251 bonds (distance) P-C4' energy: -98.182 flat angles C4'-P-C4' energy: -96.726 flat angles P-C4'-P energy: -47.303 tors. eta vs tors. theta energy: -79.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -911.639945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.639945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.639945 (E_RNA) where: Base-Base interactions energy: -569.033 where: short stacking energy: -286.715 Base-Backbone interact. energy: -1.284 local terms energy: -341.322967 where: bonds (distance) C4'-P energy: -82.219 bonds (distance) P-C4' energy: -74.780 flat angles C4'-P-C4' energy: -66.511 flat angles P-C4'-P energy: -48.472 tors. eta vs tors. theta energy: -69.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -857.178371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.178371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.178371 (E_RNA) where: Base-Base interactions energy: -534.209 where: short stacking energy: -258.481 Base-Backbone interact. energy: -1.032 local terms energy: -321.937575 where: bonds (distance) C4'-P energy: -85.036 bonds (distance) P-C4' energy: -73.837 flat angles C4'-P-C4' energy: -78.295 flat angles P-C4'-P energy: -50.288 tors. eta vs tors. theta energy: -34.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -659.963976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.963976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.963976 (E_RNA) where: Base-Base interactions energy: -329.477 where: short stacking energy: -179.286 Base-Backbone interact. energy: 1.552 local terms energy: -332.039291 where: bonds (distance) C4'-P energy: -91.023 bonds (distance) P-C4' energy: -85.491 flat angles C4'-P-C4' energy: -88.909 flat angles P-C4'-P energy: -47.234 tors. eta vs tors. theta energy: -19.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -503.130071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.130071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.130071 (E_RNA) where: Base-Base interactions energy: -220.726 where: short stacking energy: -135.798 Base-Backbone interact. energy: 3.454 local terms energy: -285.858839 where: bonds (distance) C4'-P energy: -85.929 bonds (distance) P-C4' energy: -75.757 flat angles C4'-P-C4' energy: -74.173 flat angles P-C4'-P energy: -38.470 tors. eta vs tors. theta energy: -11.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -389.382510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.382510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.382510 (E_RNA) where: Base-Base interactions energy: -127.841 where: short stacking energy: -108.324 Base-Backbone interact. energy: 5.438 local terms energy: -266.979182 where: bonds (distance) C4'-P energy: -77.046 bonds (distance) P-C4' energy: -83.954 flat angles C4'-P-C4' energy: -69.796 flat angles P-C4'-P energy: -45.057 tors. eta vs tors. theta energy: 8.874 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: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1577.989647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.989647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.989647 (E_RNA) where: Base-Base interactions energy: -1058.529 where: short stacking energy: -459.484 Base-Backbone interact. energy: -3.257 local terms energy: -516.204075 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -96.630 flat angles C4'-P-C4' energy: -109.893 flat angles P-C4'-P energy: -64.434 tors. eta vs tors. theta energy: -145.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1542.851526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.851526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.851526 (E_RNA) where: Base-Base interactions energy: -1050.157 where: short stacking energy: -427.595 Base-Backbone interact. energy: -3.402 local terms energy: -489.292331 where: bonds (distance) C4'-P energy: -92.241 bonds (distance) P-C4' energy: -88.107 flat angles C4'-P-C4' energy: -111.926 flat angles P-C4'-P energy: -69.825 tors. eta vs tors. theta energy: -127.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1489.695274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.695274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.695274 (E_RNA) where: Base-Base interactions energy: -975.482 where: short stacking energy: -469.820 Base-Backbone interact. energy: -1.939 local terms energy: -512.274398 where: bonds (distance) C4'-P energy: -89.850 bonds (distance) P-C4' energy: -93.034 flat angles C4'-P-C4' energy: -109.350 flat angles P-C4'-P energy: -77.475 tors. eta vs tors. theta energy: -142.566 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: 10 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1230.713343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.713343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.713343 (E_RNA) where: Base-Base interactions energy: -797.867 where: short stacking energy: -373.680 Base-Backbone interact. energy: -0.342 local terms energy: -432.504479 where: bonds (distance) C4'-P energy: -89.765 bonds (distance) P-C4' energy: -83.865 flat angles C4'-P-C4' energy: -98.816 flat angles P-C4'-P energy: -59.970 tors. eta vs tors. theta energy: -100.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1091.540156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.540156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.540156 (E_RNA) where: Base-Base interactions energy: -699.383 where: short stacking energy: -311.541 Base-Backbone interact. energy: -2.366 local terms energy: -389.791567 where: bonds (distance) C4'-P energy: -93.789 bonds (distance) P-C4' energy: -71.978 flat angles C4'-P-C4' energy: -95.111 flat angles P-C4'-P energy: -58.835 tors. eta vs tors. theta energy: -70.079 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: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -956.405329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.405329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.405329 (E_RNA) where: Base-Base interactions energy: -540.020 where: short stacking energy: -280.594 Base-Backbone interact. energy: -1.361 local terms energy: -415.024045 where: bonds (distance) C4'-P energy: -85.669 bonds (distance) P-C4' energy: -93.010 flat angles C4'-P-C4' energy: -97.305 flat angles P-C4'-P energy: -73.820 tors. eta vs tors. theta energy: -65.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -851.531137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.531137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.531137 (E_RNA) where: Base-Base interactions energy: -511.506 where: short stacking energy: -242.426 Base-Backbone interact. energy: 1.879 local terms energy: -341.903921 where: bonds (distance) C4'-P energy: -81.736 bonds (distance) P-C4' energy: -83.322 flat angles C4'-P-C4' energy: -84.952 flat angles P-C4'-P energy: -45.621 tors. eta vs tors. theta energy: -46.273 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: 3 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -689.194279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.194279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.194279 (E_RNA) where: Base-Base interactions energy: -371.453 where: short stacking energy: -214.535 Base-Backbone interact. energy: -2.588 local terms energy: -315.153455 where: bonds (distance) C4'-P energy: -82.834 bonds (distance) P-C4' energy: -89.832 flat angles C4'-P-C4' energy: -51.297 flat angles P-C4'-P energy: -48.868 tors. eta vs tors. theta energy: -42.323 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: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -578.544053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.544053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.544053 (E_RNA) where: Base-Base interactions energy: -314.234 where: short stacking energy: -134.396 Base-Backbone interact. energy: 2.471 local terms energy: -266.780615 where: bonds (distance) C4'-P energy: -67.335 bonds (distance) P-C4' energy: -71.381 flat angles C4'-P-C4' energy: -85.415 flat angles P-C4'-P energy: -43.662 tors. eta vs tors. theta energy: 1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -377.653101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.653101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.653101 (E_RNA) where: Base-Base interactions energy: -138.620 where: short stacking energy: -100.715 Base-Backbone interact. energy: -0.456 local terms energy: -238.577102 where: bonds (distance) C4'-P energy: -77.143 bonds (distance) P-C4' energy: -82.650 flat angles C4'-P-C4' energy: -69.008 flat angles P-C4'-P energy: -17.854 tors. eta vs tors. theta energy: 8.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1539.194920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.194920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.194920 (E_RNA) where: Base-Base interactions energy: -1039.548 where: short stacking energy: -455.462 Base-Backbone interact. energy: -2.197 local terms energy: -497.450168 where: bonds (distance) C4'-P energy: -82.999 bonds (distance) P-C4' energy: -102.531 flat angles C4'-P-C4' energy: -108.527 flat angles P-C4'-P energy: -63.036 tors. eta vs tors. theta energy: -140.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1507.823990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.823990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.823990 (E_RNA) where: Base-Base interactions energy: -1015.926 where: short stacking energy: -426.036 Base-Backbone interact. energy: -3.870 local terms energy: -488.028771 where: bonds (distance) C4'-P energy: -99.153 bonds (distance) P-C4' energy: -88.787 flat angles C4'-P-C4' energy: -108.257 flat angles P-C4'-P energy: -64.560 tors. eta vs tors. theta energy: -127.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1450.221979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.221979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.221979 (E_RNA) where: Base-Base interactions energy: -964.288 where: short stacking energy: -455.237 Base-Backbone interact. energy: -0.920 local terms energy: -485.013422 where: bonds (distance) C4'-P energy: -96.099 bonds (distance) P-C4' energy: -80.818 flat angles C4'-P-C4' energy: -101.793 flat angles P-C4'-P energy: -68.074 tors. eta vs tors. theta energy: -138.230 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: 10 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1265.012170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.012170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.012170 (E_RNA) where: Base-Base interactions energy: -819.229 where: short stacking energy: -394.561 Base-Backbone interact. energy: 2.538 local terms energy: -448.321854 where: bonds (distance) C4'-P energy: -80.651 bonds (distance) P-C4' energy: -103.191 flat angles C4'-P-C4' energy: -97.845 flat angles P-C4'-P energy: -64.748 tors. eta vs tors. theta energy: -101.888 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: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1109.822755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.822755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.822755 (E_RNA) where: Base-Base interactions energy: -700.361 where: short stacking energy: -321.362 Base-Backbone interact. energy: -1.579 local terms energy: -407.883065 where: bonds (distance) C4'-P energy: -83.340 bonds (distance) P-C4' energy: -99.966 flat angles C4'-P-C4' energy: -96.200 flat angles P-C4'-P energy: -59.615 tors. eta vs tors. theta energy: -68.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -949.128810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.128810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.128810 (E_RNA) where: Base-Base interactions energy: -577.643 where: short stacking energy: -292.799 Base-Backbone interact. energy: -2.723 local terms energy: -368.763027 where: bonds (distance) C4'-P energy: -85.981 bonds (distance) P-C4' energy: -81.056 flat angles C4'-P-C4' energy: -89.681 flat angles P-C4'-P energy: -53.461 tors. eta vs tors. theta energy: -58.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -879.395654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.395654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.395654 (E_RNA) where: Base-Base interactions energy: -526.408 where: short stacking energy: -262.268 Base-Backbone interact. energy: 0.281 local terms energy: -353.269107 where: bonds (distance) C4'-P energy: -65.052 bonds (distance) P-C4' energy: -97.874 flat angles C4'-P-C4' energy: -83.832 flat angles P-C4'-P energy: -61.529 tors. eta vs tors. theta energy: -44.981 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: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -668.044319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.044319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.044319 (E_RNA) where: Base-Base interactions energy: -365.784 where: short stacking energy: -207.608 Base-Backbone interact. energy: -0.145 local terms energy: -302.115832 where: bonds (distance) C4'-P energy: -62.440 bonds (distance) P-C4' energy: -85.760 flat angles C4'-P-C4' energy: -79.109 flat angles P-C4'-P energy: -44.173 tors. eta vs tors. theta energy: -30.634 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: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -619.192834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.192834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.192834 (E_RNA) where: Base-Base interactions energy: -333.371 where: short stacking energy: -188.860 Base-Backbone interact. energy: 0.910 local terms energy: -286.732197 where: bonds (distance) C4'-P energy: -76.542 bonds (distance) P-C4' energy: -84.310 flat angles C4'-P-C4' energy: -75.668 flat angles P-C4'-P energy: -35.579 tors. eta vs tors. theta energy: -14.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -386.989877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.989877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.989877 (E_RNA) where: Base-Base interactions energy: -158.986 where: short stacking energy: -106.869 Base-Backbone interact. energy: -1.780 local terms energy: -226.223856 where: bonds (distance) C4'-P energy: -67.899 bonds (distance) P-C4' energy: -72.381 flat angles C4'-P-C4' energy: -65.135 flat angles P-C4'-P energy: -41.451 tors. eta vs tors. theta energy: 20.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1595.193969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.193969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.193969 (E_RNA) where: Base-Base interactions energy: -1091.616 where: short stacking energy: -484.572 Base-Backbone interact. energy: -3.203 local terms energy: -500.375444 where: bonds (distance) C4'-P energy: -88.998 bonds (distance) P-C4' energy: -89.262 flat angles C4'-P-C4' energy: -105.236 flat angles P-C4'-P energy: -67.551 tors. eta vs tors. theta energy: -149.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1473.311456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.311456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.311456 (E_RNA) where: Base-Base interactions energy: -994.326 where: short stacking energy: -419.394 Base-Backbone interact. energy: -3.360 local terms energy: -475.624692 where: bonds (distance) C4'-P energy: -94.607 bonds (distance) P-C4' energy: -93.912 flat angles C4'-P-C4' energy: -102.923 flat angles P-C4'-P energy: -66.360 tors. eta vs tors. theta energy: -117.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1439.534280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.534280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.534280 (E_RNA) where: Base-Base interactions energy: -950.179 where: short stacking energy: -429.271 Base-Backbone interact. energy: -0.096 local terms energy: -489.259816 where: bonds (distance) C4'-P energy: -85.526 bonds (distance) P-C4' energy: -91.622 flat angles C4'-P-C4' energy: -97.175 flat angles P-C4'-P energy: -75.633 tors. eta vs tors. theta energy: -139.303 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: 10 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1294.988228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.988228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.988228 (E_RNA) where: Base-Base interactions energy: -843.955 where: short stacking energy: -401.754 Base-Backbone interact. energy: 0.868 local terms energy: -451.900857 where: bonds (distance) C4'-P energy: -91.763 bonds (distance) P-C4' energy: -86.157 flat angles C4'-P-C4' energy: -98.317 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -115.110 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: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1131.802859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.802859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.802859 (E_RNA) where: Base-Base interactions energy: -716.045 where: short stacking energy: -315.607 Base-Backbone interact. energy: -4.584 local terms energy: -411.173909 where: bonds (distance) C4'-P energy: -94.618 bonds (distance) P-C4' energy: -85.154 flat angles C4'-P-C4' energy: -86.327 flat angles P-C4'-P energy: -57.506 tors. eta vs tors. theta energy: -87.570 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: 6, replica: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -947.651944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.651944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.651944 (E_RNA) where: Base-Base interactions energy: -592.011 where: short stacking energy: -290.472 Base-Backbone interact. energy: 1.468 local terms energy: -357.109582 where: bonds (distance) C4'-P energy: -72.239 bonds (distance) P-C4' energy: -79.497 flat angles C4'-P-C4' energy: -88.555 flat angles P-C4'-P energy: -40.513 tors. eta vs tors. theta energy: -76.306 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: 7, replica: 1 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -910.949305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.949305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.949305 (E_RNA) where: Base-Base interactions energy: -545.913 where: short stacking energy: -243.666 Base-Backbone interact. energy: -2.193 local terms energy: -362.842707 where: bonds (distance) C4'-P energy: -75.590 bonds (distance) P-C4' energy: -88.854 flat angles C4'-P-C4' energy: -81.387 flat angles P-C4'-P energy: -60.814 tors. eta vs tors. theta energy: -56.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -673.968543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.968543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.968543 (E_RNA) where: Base-Base interactions energy: -363.760 where: short stacking energy: -186.692 Base-Backbone interact. energy: -2.004 local terms energy: -308.204557 where: bonds (distance) C4'-P energy: -75.838 bonds (distance) P-C4' energy: -82.333 flat angles C4'-P-C4' energy: -77.958 flat angles P-C4'-P energy: -49.549 tors. eta vs tors. theta energy: -22.526 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: 5 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -568.555340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.555340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.555340 (E_RNA) where: Base-Base interactions energy: -286.212 where: short stacking energy: -174.979 Base-Backbone interact. energy: -0.953 local terms energy: -281.391040 where: bonds (distance) C4'-P energy: -89.650 bonds (distance) P-C4' energy: -75.800 flat angles C4'-P-C4' energy: -67.463 flat angles P-C4'-P energy: -38.377 tors. eta vs tors. theta energy: -10.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -370.944754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.944754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.944754 (E_RNA) where: Base-Base interactions energy: -131.485 where: short stacking energy: -112.331 Base-Backbone interact. energy: 2.711 local terms energy: -242.169765 where: bonds (distance) C4'-P energy: -62.942 bonds (distance) P-C4' energy: -91.819 flat angles C4'-P-C4' energy: -72.413 flat angles P-C4'-P energy: -32.466 tors. eta vs tors. theta energy: 17.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1559.334440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.334440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.334440 (E_RNA) where: Base-Base interactions energy: -1038.622 where: short stacking energy: -483.518 Base-Backbone interact. energy: 1.078 local terms energy: -521.790249 where: bonds (distance) C4'-P energy: -94.961 bonds (distance) P-C4' energy: -92.222 flat angles C4'-P-C4' energy: -108.375 flat angles P-C4'-P energy: -76.662 tors. eta vs tors. theta energy: -149.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1494.886928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.886928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.886928 (E_RNA) where: Base-Base interactions energy: -1016.535 where: short stacking energy: -416.593 Base-Backbone interact. energy: -7.054 local terms energy: -471.298520 where: bonds (distance) C4'-P energy: -95.576 bonds (distance) P-C4' energy: -89.393 flat angles C4'-P-C4' energy: -96.882 flat angles P-C4'-P energy: -62.539 tors. eta vs tors. theta energy: -126.908 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: 3, replica: 4 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1408.794492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.794492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.794492 (E_RNA) where: Base-Base interactions energy: -916.610 where: short stacking energy: -434.938 Base-Backbone interact. energy: -0.976 local terms energy: -491.208209 where: bonds (distance) C4'-P energy: -89.897 bonds (distance) P-C4' energy: -96.503 flat angles C4'-P-C4' energy: -102.330 flat angles P-C4'-P energy: -71.967 tors. eta vs tors. theta energy: -130.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1308.323321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.323321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.323321 (E_RNA) where: Base-Base interactions energy: -835.044 where: short stacking energy: -390.038 Base-Backbone interact. energy: -3.122 local terms energy: -470.157892 where: bonds (distance) C4'-P energy: -84.751 bonds (distance) P-C4' energy: -92.585 flat angles C4'-P-C4' energy: -110.450 flat angles P-C4'-P energy: -74.134 tors. eta vs tors. theta energy: -108.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1138.913726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.913726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.913726 (E_RNA) where: Base-Base interactions energy: -729.519 where: short stacking energy: -302.369 Base-Backbone interact. energy: -2.533 local terms energy: -406.861220 where: bonds (distance) C4'-P energy: -82.947 bonds (distance) P-C4' energy: -93.671 flat angles C4'-P-C4' energy: -94.582 flat angles P-C4'-P energy: -67.222 tors. eta vs tors. theta energy: -68.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -962.665131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.665131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.665131 (E_RNA) where: Base-Base interactions energy: -589.823 where: short stacking energy: -294.624 Base-Backbone interact. energy: 0.535 local terms energy: -373.377169 where: bonds (distance) C4'-P energy: -73.021 bonds (distance) P-C4' energy: -86.591 flat angles C4'-P-C4' energy: -94.775 flat angles P-C4'-P energy: -57.463 tors. eta vs tors. theta energy: -61.528 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: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -892.635523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.635523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.635523 (E_RNA) where: Base-Base interactions energy: -560.250 where: short stacking energy: -250.750 Base-Backbone interact. energy: -1.293 local terms energy: -331.092043 where: bonds (distance) C4'-P energy: -77.966 bonds (distance) P-C4' energy: -78.993 flat angles C4'-P-C4' energy: -75.459 flat angles P-C4'-P energy: -48.318 tors. eta vs tors. theta energy: -50.356 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: 3 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -641.209153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.209153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.209153 (E_RNA) where: Base-Base interactions energy: -341.592 where: short stacking energy: -212.034 Base-Backbone interact. energy: 0.199 local terms energy: -299.816295 where: bonds (distance) C4'-P energy: -85.246 bonds (distance) P-C4' energy: -86.862 flat angles C4'-P-C4' energy: -71.871 flat angles P-C4'-P energy: -37.077 tors. eta vs tors. theta energy: -18.760 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: 373 Temperature: 1.300000 Total energy: -528.475603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.475603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.475603 (E_RNA) where: Base-Base interactions energy: -247.506 where: short stacking energy: -159.570 Base-Backbone interact. energy: 0.357 local terms energy: -281.326652 where: bonds (distance) C4'-P energy: -60.438 bonds (distance) P-C4' energy: -81.837 flat angles C4'-P-C4' energy: -82.685 flat angles P-C4'-P energy: -43.699 tors. eta vs tors. theta energy: -12.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -385.535108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.535108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.535108 (E_RNA) where: Base-Base interactions energy: -116.671 where: short stacking energy: -102.236 Base-Backbone interact. energy: 2.148 local terms energy: -271.012181 where: bonds (distance) C4'-P energy: -73.947 bonds (distance) P-C4' energy: -90.241 flat angles C4'-P-C4' energy: -69.655 flat angles P-C4'-P energy: -43.154 tors. eta vs tors. theta energy: 5.984 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: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1548.934378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.934378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.934378 (E_RNA) where: Base-Base interactions energy: -1043.599 where: short stacking energy: -448.567 Base-Backbone interact. energy: -5.851 local terms energy: -499.484077 where: bonds (distance) C4'-P energy: -99.664 bonds (distance) P-C4' energy: -78.944 flat angles C4'-P-C4' energy: -104.393 flat angles P-C4'-P energy: -71.744 tors. eta vs tors. theta energy: -144.740 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: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1496.201290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.201290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.201290 (E_RNA) where: Base-Base interactions energy: -1018.892 where: short stacking energy: -430.094 Base-Backbone interact. energy: -3.907 local terms energy: -473.401516 where: bonds (distance) C4'-P energy: -92.803 bonds (distance) P-C4' energy: -87.349 flat angles C4'-P-C4' energy: -108.158 flat angles P-C4'-P energy: -68.376 tors. eta vs tors. theta energy: -116.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1409.197817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.197817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.197817 (E_RNA) where: Base-Base interactions energy: -933.864 where: short stacking energy: -405.511 Base-Backbone interact. energy: -2.311 local terms energy: -473.022944 where: bonds (distance) C4'-P energy: -92.783 bonds (distance) P-C4' energy: -103.660 flat angles C4'-P-C4' energy: -99.842 flat angles P-C4'-P energy: -66.385 tors. eta vs tors. theta energy: -110.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1276.498906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.498906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.498906 (E_RNA) where: Base-Base interactions energy: -840.219 where: short stacking energy: -365.833 Base-Backbone interact. energy: -0.363 local terms energy: -435.916426 where: bonds (distance) C4'-P energy: -76.918 bonds (distance) P-C4' energy: -90.414 flat angles C4'-P-C4' energy: -99.966 flat angles P-C4'-P energy: -57.756 tors. eta vs tors. theta energy: -110.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1014.487631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.487631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.487631 (E_RNA) where: Base-Base interactions energy: -629.066 where: short stacking energy: -314.195 Base-Backbone interact. energy: -2.140 local terms energy: -383.281688 where: bonds (distance) C4'-P energy: -82.783 bonds (distance) P-C4' energy: -85.709 flat angles C4'-P-C4' energy: -90.675 flat angles P-C4'-P energy: -57.376 tors. eta vs tors. theta energy: -66.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1041.535899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.535899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.535899 (E_RNA) where: Base-Base interactions energy: -655.206 where: short stacking energy: -299.041 Base-Backbone interact. energy: -3.493 local terms energy: -382.837139 where: bonds (distance) C4'-P energy: -81.726 bonds (distance) P-C4' energy: -89.338 flat angles C4'-P-C4' energy: -94.246 flat angles P-C4'-P energy: -49.675 tors. eta vs tors. theta energy: -67.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -933.186194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.186194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.186194 (E_RNA) where: Base-Base interactions energy: -576.325 where: short stacking energy: -259.265 Base-Backbone interact. energy: -0.948 local terms energy: -355.913764 where: bonds (distance) C4'-P energy: -70.782 bonds (distance) P-C4' energy: -84.031 flat angles C4'-P-C4' energy: -96.009 flat angles P-C4'-P energy: -40.942 tors. eta vs tors. theta energy: -64.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -657.182584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.182584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.182584 (E_RNA) where: Base-Base interactions energy: -345.624 where: short stacking energy: -197.515 Base-Backbone interact. energy: 2.669 local terms energy: -314.227294 where: bonds (distance) C4'-P energy: -93.253 bonds (distance) P-C4' energy: -83.991 flat angles C4'-P-C4' energy: -76.899 flat angles P-C4'-P energy: -34.827 tors. eta vs tors. theta energy: -25.257 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: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -419.733044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.733044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.733044 (E_RNA) where: Base-Base interactions energy: -152.634 where: short stacking energy: -120.328 Base-Backbone interact. energy: -0.420 local terms energy: -266.679302 where: bonds (distance) C4'-P energy: -83.956 bonds (distance) P-C4' energy: -82.713 flat angles C4'-P-C4' energy: -60.088 flat angles P-C4'-P energy: -49.273 tors. eta vs tors. theta energy: 9.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -520.189608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.189608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.189608 (E_RNA) where: Base-Base interactions energy: -251.345 where: short stacking energy: -142.913 Base-Backbone interact. energy: 3.019 local terms energy: -271.863352 where: bonds (distance) C4'-P energy: -85.414 bonds (distance) P-C4' energy: -69.432 flat angles C4'-P-C4' energy: -72.620 flat angles P-C4'-P energy: -34.441 tors. eta vs tors. theta energy: -9.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1543.232913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.232913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.232913 (E_RNA) where: Base-Base interactions energy: -1057.703 where: short stacking energy: -467.055 Base-Backbone interact. energy: 0.144 local terms energy: -485.673961 where: bonds (distance) C4'-P energy: -83.082 bonds (distance) P-C4' energy: -85.609 flat angles C4'-P-C4' energy: -105.602 flat angles P-C4'-P energy: -66.348 tors. eta vs tors. theta energy: -145.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1434.705888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.705888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.705888 (E_RNA) where: Base-Base interactions energy: -989.343 where: short stacking energy: -407.532 Base-Backbone interact. energy: -4.078 local terms energy: -441.284727 where: bonds (distance) C4'-P energy: -88.953 bonds (distance) P-C4' energy: -100.035 flat angles C4'-P-C4' energy: -101.299 flat angles P-C4'-P energy: -40.985 tors. eta vs tors. theta energy: -110.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1440.869506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.869506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.869506 (E_RNA) where: Base-Base interactions energy: -945.107 where: short stacking energy: -446.750 Base-Backbone interact. energy: -0.757 local terms energy: -495.005920 where: bonds (distance) C4'-P energy: -87.714 bonds (distance) P-C4' energy: -91.623 flat angles C4'-P-C4' energy: -110.862 flat angles P-C4'-P energy: -74.954 tors. eta vs tors. theta energy: -129.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1286.666568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.666568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.666568 (E_RNA) where: Base-Base interactions energy: -831.683 where: short stacking energy: -381.279 Base-Backbone interact. energy: -1.490 local terms energy: -453.493588 where: bonds (distance) C4'-P energy: -91.894 bonds (distance) P-C4' energy: -87.603 flat angles C4'-P-C4' energy: -105.350 flat angles P-C4'-P energy: -60.318 tors. eta vs tors. theta energy: -108.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1008.992482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.992482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.992482 (E_RNA) where: Base-Base interactions energy: -596.046 where: short stacking energy: -297.852 Base-Backbone interact. energy: -2.594 local terms energy: -410.352311 where: bonds (distance) C4'-P energy: -87.006 bonds (distance) P-C4' energy: -97.086 flat angles C4'-P-C4' energy: -93.570 flat angles P-C4'-P energy: -61.748 tors. eta vs tors. theta energy: -70.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1025.572537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.572537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.572537 (E_RNA) where: Base-Base interactions energy: -624.835 where: short stacking energy: -282.858 Base-Backbone interact. energy: -4.008 local terms energy: -396.728685 where: bonds (distance) C4'-P energy: -91.836 bonds (distance) P-C4' energy: -87.182 flat angles C4'-P-C4' energy: -86.142 flat angles P-C4'-P energy: -59.932 tors. eta vs tors. theta energy: -71.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1005.617907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.617907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.617907 (E_RNA) where: Base-Base interactions energy: -638.034 where: short stacking energy: -300.994 Base-Backbone interact. energy: -0.412 local terms energy: -367.172347 where: bonds (distance) C4'-P energy: -77.538 bonds (distance) P-C4' energy: -86.555 flat angles C4'-P-C4' energy: -79.012 flat angles P-C4'-P energy: -54.415 tors. eta vs tors. theta energy: -69.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -647.260400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.260400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.260400 (E_RNA) where: Base-Base interactions energy: -329.154 where: short stacking energy: -178.241 Base-Backbone interact. energy: -2.133 local terms energy: -315.974177 where: bonds (distance) C4'-P energy: -78.405 bonds (distance) P-C4' energy: -79.845 flat angles C4'-P-C4' energy: -88.257 flat angles P-C4'-P energy: -45.381 tors. eta vs tors. theta energy: -24.087 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: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -422.933148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.933148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.933148 (E_RNA) where: Base-Base interactions energy: -150.689 where: short stacking energy: -116.646 Base-Backbone interact. energy: 3.482 local terms energy: -275.726415 where: bonds (distance) C4'-P energy: -57.780 bonds (distance) P-C4' energy: -88.437 flat angles C4'-P-C4' energy: -72.886 flat angles P-C4'-P energy: -51.893 tors. eta vs tors. theta energy: -4.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -510.210628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.210628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.210628 (E_RNA) where: Base-Base interactions energy: -235.296 where: short stacking energy: -130.169 Base-Backbone interact. energy: 7.972 local terms energy: -282.886623 where: bonds (distance) C4'-P energy: -75.823 bonds (distance) P-C4' energy: -79.916 flat angles C4'-P-C4' energy: -93.916 flat angles P-C4'-P energy: -42.141 tors. eta vs tors. theta energy: 8.909 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: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1575.871189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.871189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.871189 (E_RNA) where: Base-Base interactions energy: -1051.912 where: short stacking energy: -448.461 Base-Backbone interact. energy: -4.970 local terms energy: -518.989519 where: bonds (distance) C4'-P energy: -97.139 bonds (distance) P-C4' energy: -92.291 flat angles C4'-P-C4' energy: -97.319 flat angles P-C4'-P energy: -85.837 tors. eta vs tors. theta energy: -146.405 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: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1457.266336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.266336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.266336 (E_RNA) where: Base-Base interactions energy: -1010.300 where: short stacking energy: -421.067 Base-Backbone interact. energy: -1.794 local terms energy: -445.172167 where: bonds (distance) C4'-P energy: -90.440 bonds (distance) P-C4' energy: -85.589 flat angles C4'-P-C4' energy: -98.698 flat angles P-C4'-P energy: -58.509 tors. eta vs tors. theta energy: -111.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1439.016121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.016121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.016121 (E_RNA) where: Base-Base interactions energy: -955.937 where: short stacking energy: -441.987 Base-Backbone interact. energy: 2.488 local terms energy: -485.566975 where: bonds (distance) C4'-P energy: -92.365 bonds (distance) P-C4' energy: -85.897 flat angles C4'-P-C4' energy: -105.891 flat angles P-C4'-P energy: -66.467 tors. eta vs tors. theta energy: -134.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1302.505861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.505861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.505861 (E_RNA) where: Base-Base interactions energy: -869.959 where: short stacking energy: -385.711 Base-Backbone interact. energy: 0.334 local terms energy: -432.880878 where: bonds (distance) C4'-P energy: -77.814 bonds (distance) P-C4' energy: -75.923 flat angles C4'-P-C4' energy: -99.929 flat angles P-C4'-P energy: -71.331 tors. eta vs tors. theta energy: -107.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1014.509372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.509372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.509372 (E_RNA) where: Base-Base interactions energy: -625.179 where: short stacking energy: -327.638 Base-Backbone interact. energy: 0.646 local terms energy: -389.976184 where: bonds (distance) C4'-P energy: -76.238 bonds (distance) P-C4' energy: -90.841 flat angles C4'-P-C4' energy: -82.203 flat angles P-C4'-P energy: -60.854 tors. eta vs tors. theta energy: -79.841 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: 6, replica: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1025.651773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.651773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.651773 (E_RNA) where: Base-Base interactions energy: -657.891 where: short stacking energy: -291.499 Base-Backbone interact. energy: -3.056 local terms energy: -364.704548 where: bonds (distance) C4'-P energy: -83.974 bonds (distance) P-C4' energy: -83.516 flat angles C4'-P-C4' energy: -91.323 flat angles P-C4'-P energy: -48.659 tors. eta vs tors. theta energy: -57.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -965.127949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.127949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.127949 (E_RNA) where: Base-Base interactions energy: -591.688 where: short stacking energy: -268.518 Base-Backbone interact. energy: 0.854 local terms energy: -374.294314 where: bonds (distance) C4'-P energy: -82.085 bonds (distance) P-C4' energy: -90.549 flat angles C4'-P-C4' energy: -84.031 flat angles P-C4'-P energy: -52.877 tors. eta vs tors. theta energy: -64.753 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: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -661.110782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.110782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.110782 (E_RNA) where: Base-Base interactions energy: -357.837 where: short stacking energy: -223.918 Base-Backbone interact. energy: -1.755 local terms energy: -301.518421 where: bonds (distance) C4'-P energy: -69.232 bonds (distance) P-C4' energy: -93.495 flat angles C4'-P-C4' energy: -87.890 flat angles P-C4'-P energy: -34.157 tors. eta vs tors. theta energy: -16.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -539.867635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.867635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.867635 (E_RNA) where: Base-Base interactions energy: -282.462 where: short stacking energy: -153.708 Base-Backbone interact. energy: -0.912 local terms energy: -256.493945 where: bonds (distance) C4'-P energy: -82.132 bonds (distance) P-C4' energy: -75.183 flat angles C4'-P-C4' energy: -58.708 flat angles P-C4'-P energy: -47.127 tors. eta vs tors. theta energy: 6.656 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: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -377.316033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.316033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.316033 (E_RNA) where: Base-Base interactions energy: -123.187 where: short stacking energy: -98.273 Base-Backbone interact. energy: 0.053 local terms energy: -254.181904 where: bonds (distance) C4'-P energy: -65.050 bonds (distance) P-C4' energy: -93.847 flat angles C4'-P-C4' energy: -88.424 flat angles P-C4'-P energy: -28.544 tors. eta vs tors. theta energy: 21.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1572.612648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.612648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.612648 (E_RNA) where: Base-Base interactions energy: -1049.043 where: short stacking energy: -467.589 Base-Backbone interact. energy: -2.372 local terms energy: -521.197503 where: bonds (distance) C4'-P energy: -100.469 bonds (distance) P-C4' energy: -92.850 flat angles C4'-P-C4' energy: -105.914 flat angles P-C4'-P energy: -78.480 tors. eta vs tors. theta energy: -143.485 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: 4 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1455.381901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.381901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.381901 (E_RNA) where: Base-Base interactions energy: -952.115 where: short stacking energy: -455.619 Base-Backbone interact. energy: -4.419 local terms energy: -498.847427 where: bonds (distance) C4'-P energy: -88.337 bonds (distance) P-C4' energy: -89.418 flat angles C4'-P-C4' energy: -103.752 flat angles P-C4'-P energy: -80.275 tors. eta vs tors. theta energy: -137.065 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: 3, replica: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1395.445847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.445847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.445847 (E_RNA) where: Base-Base interactions energy: -948.635 where: short stacking energy: -401.166 Base-Backbone interact. energy: -4.269 local terms energy: -442.541700 where: bonds (distance) C4'-P energy: -99.701 bonds (distance) P-C4' energy: -75.587 flat angles C4'-P-C4' energy: -98.859 flat angles P-C4'-P energy: -56.418 tors. eta vs tors. theta energy: -111.976 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: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1293.982434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.982434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.982434 (E_RNA) where: Base-Base interactions energy: -850.609 where: short stacking energy: -398.702 Base-Backbone interact. energy: -0.402 local terms energy: -442.971432 where: bonds (distance) C4'-P energy: -82.660 bonds (distance) P-C4' energy: -94.133 flat angles C4'-P-C4' energy: -95.735 flat angles P-C4'-P energy: -66.669 tors. eta vs tors. theta energy: -103.774 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: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -976.333379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.333379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.333379 (E_RNA) where: Base-Base interactions energy: -609.110 where: short stacking energy: -301.216 Base-Backbone interact. energy: -0.449 local terms energy: -366.775113 where: bonds (distance) C4'-P energy: -88.604 bonds (distance) P-C4' energy: -82.091 flat angles C4'-P-C4' energy: -81.394 flat angles P-C4'-P energy: -55.918 tors. eta vs tors. theta energy: -58.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1006.510704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.510704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.510704 (E_RNA) where: Base-Base interactions energy: -653.250 where: short stacking energy: -279.085 Base-Backbone interact. energy: -2.585 local terms energy: -350.675520 where: bonds (distance) C4'-P energy: -80.260 bonds (distance) P-C4' energy: -83.197 flat angles C4'-P-C4' energy: -83.481 flat angles P-C4'-P energy: -42.864 tors. eta vs tors. theta energy: -60.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -985.014328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.014328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.014328 (E_RNA) where: Base-Base interactions energy: -624.503 where: short stacking energy: -282.819 Base-Backbone interact. energy: -1.176 local terms energy: -359.335303 where: bonds (distance) C4'-P energy: -92.671 bonds (distance) P-C4' energy: -89.903 flat angles C4'-P-C4' energy: -72.720 flat angles P-C4'-P energy: -55.697 tors. eta vs tors. theta energy: -48.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -652.457816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.457816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.457816 (E_RNA) where: Base-Base interactions energy: -366.010 where: short stacking energy: -202.048 Base-Backbone interact. energy: 2.393 local terms energy: -288.841247 where: bonds (distance) C4'-P energy: -82.667 bonds (distance) P-C4' energy: -76.651 flat angles C4'-P-C4' energy: -77.026 flat angles P-C4'-P energy: -41.567 tors. eta vs tors. theta energy: -10.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -582.571171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.571171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.571171 (E_RNA) where: Base-Base interactions energy: -302.606 where: short stacking energy: -169.330 Base-Backbone interact. energy: 0.502 local terms energy: -280.466572 where: bonds (distance) C4'-P energy: -80.021 bonds (distance) P-C4' energy: -84.108 flat angles C4'-P-C4' energy: -59.464 flat angles P-C4'-P energy: -45.820 tors. eta vs tors. theta energy: -11.054 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: 10, replica: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -390.075691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.075691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.075691 (E_RNA) where: Base-Base interactions energy: -144.859 where: short stacking energy: -110.803 Base-Backbone interact. energy: -3.472 local terms energy: -241.744780 where: bonds (distance) C4'-P energy: -77.899 bonds (distance) P-C4' energy: -83.367 flat angles C4'-P-C4' energy: -57.016 flat angles P-C4'-P energy: -33.659 tors. eta vs tors. theta energy: 10.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1573.680815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.680815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.680815 (E_RNA) where: Base-Base interactions energy: -1076.813 where: short stacking energy: -465.067 Base-Backbone interact. energy: -2.156 local terms energy: -494.711668 where: bonds (distance) C4'-P energy: -81.804 bonds (distance) P-C4' energy: -91.422 flat angles C4'-P-C4' energy: -111.175 flat angles P-C4'-P energy: -63.843 tors. eta vs tors. theta energy: -146.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1477.412991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.412991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.412991 (E_RNA) where: Base-Base interactions energy: -992.660 where: short stacking energy: -483.670 Base-Backbone interact. energy: -1.685 local terms energy: -483.068021 where: bonds (distance) C4'-P energy: -77.678 bonds (distance) P-C4' energy: -89.805 flat angles C4'-P-C4' energy: -112.351 flat angles P-C4'-P energy: -68.367 tors. eta vs tors. theta energy: -134.867 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: 6 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1361.834753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.834753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.834753 (E_RNA) where: Base-Base interactions energy: -910.496 where: short stacking energy: -398.696 Base-Backbone interact. energy: -4.003 local terms energy: -447.336102 where: bonds (distance) C4'-P energy: -92.553 bonds (distance) P-C4' energy: -92.944 flat angles C4'-P-C4' energy: -96.487 flat angles P-C4'-P energy: -54.987 tors. eta vs tors. theta energy: -110.365 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: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1283.664134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.664134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.664134 (E_RNA) where: Base-Base interactions energy: -866.704 where: short stacking energy: -406.260 Base-Backbone interact. energy: -2.246 local terms energy: -414.714184 where: bonds (distance) C4'-P energy: -78.319 bonds (distance) P-C4' energy: -71.713 flat angles C4'-P-C4' energy: -101.342 flat angles P-C4'-P energy: -63.905 tors. eta vs tors. theta energy: -99.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1010.100884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.100884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.100884 (E_RNA) where: Base-Base interactions energy: -608.730 where: short stacking energy: -299.714 Base-Backbone interact. energy: -1.430 local terms energy: -399.941390 where: bonds (distance) C4'-P energy: -82.708 bonds (distance) P-C4' energy: -97.905 flat angles C4'-P-C4' energy: -92.847 flat angles P-C4'-P energy: -58.587 tors. eta vs tors. theta energy: -67.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1040.250744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.250744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.250744 (E_RNA) where: Base-Base interactions energy: -661.831 where: short stacking energy: -321.223 Base-Backbone interact. energy: -1.590 local terms energy: -376.829437 where: bonds (distance) C4'-P energy: -65.587 bonds (distance) P-C4' energy: -81.996 flat angles C4'-P-C4' energy: -89.532 flat angles P-C4'-P energy: -60.169 tors. eta vs tors. theta energy: -79.546 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: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -888.670777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.670777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.670777 (E_RNA) where: Base-Base interactions energy: -557.291 where: short stacking energy: -242.791 Base-Backbone interact. energy: 1.517 local terms energy: -332.896379 where: bonds (distance) C4'-P energy: -63.785 bonds (distance) P-C4' energy: -78.115 flat angles C4'-P-C4' energy: -91.938 flat angles P-C4'-P energy: -57.853 tors. eta vs tors. theta energy: -41.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -673.726015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.726015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.726015 (E_RNA) where: Base-Base interactions energy: -351.788 where: short stacking energy: -196.392 Base-Backbone interact. energy: -0.849 local terms energy: -321.088551 where: bonds (distance) C4'-P energy: -79.977 bonds (distance) P-C4' energy: -96.071 flat angles C4'-P-C4' energy: -77.261 flat angles P-C4'-P energy: -45.445 tors. eta vs tors. theta energy: -22.335 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: 5 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -579.790167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.790167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.790167 (E_RNA) where: Base-Base interactions energy: -301.179 where: short stacking energy: -164.773 Base-Backbone interact. energy: -3.256 local terms energy: -275.355754 where: bonds (distance) C4'-P energy: -63.772 bonds (distance) P-C4' energy: -80.136 flat angles C4'-P-C4' energy: -86.850 flat angles P-C4'-P energy: -31.440 tors. eta vs tors. theta energy: -13.158 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: 378 Temperature: 1.350000 Total energy: -410.677859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.677859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.677859 (E_RNA) where: Base-Base interactions energy: -157.516 where: short stacking energy: -113.740 Base-Backbone interact. energy: -2.583 local terms energy: -250.579014 where: bonds (distance) C4'-P energy: -73.719 bonds (distance) P-C4' energy: -86.869 flat angles C4'-P-C4' energy: -65.187 flat angles P-C4'-P energy: -36.001 tors. eta vs tors. theta energy: 11.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1592.213638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.213638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.213638 (E_RNA) where: Base-Base interactions energy: -1057.115 where: short stacking energy: -484.633 Base-Backbone interact. energy: -3.100 local terms energy: -531.998190 where: bonds (distance) C4'-P energy: -92.282 bonds (distance) P-C4' energy: -103.493 flat angles C4'-P-C4' energy: -116.952 flat angles P-C4'-P energy: -73.164 tors. eta vs tors. theta energy: -146.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1470.638988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.638988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.638988 (E_RNA) where: Base-Base interactions energy: -990.856 where: short stacking energy: -463.189 Base-Backbone interact. energy: -4.258 local terms energy: -475.525173 where: bonds (distance) C4'-P energy: -85.384 bonds (distance) P-C4' energy: -88.600 flat angles C4'-P-C4' energy: -103.286 flat angles P-C4'-P energy: -67.270 tors. eta vs tors. theta energy: -130.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1409.751875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.751875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.751875 (E_RNA) where: Base-Base interactions energy: -974.915 where: short stacking energy: -419.771 Base-Backbone interact. energy: -3.660 local terms energy: -431.177526 where: bonds (distance) C4'-P energy: -79.895 bonds (distance) P-C4' energy: -81.913 flat angles C4'-P-C4' energy: -94.264 flat angles P-C4'-P energy: -60.170 tors. eta vs tors. theta energy: -114.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1290.796233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.796233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.796233 (E_RNA) where: Base-Base interactions energy: -836.465 where: short stacking energy: -379.322 Base-Backbone interact. energy: 2.465 local terms energy: -456.796438 where: bonds (distance) C4'-P energy: -97.593 bonds (distance) P-C4' energy: -88.280 flat angles C4'-P-C4' energy: -93.593 flat angles P-C4'-P energy: -69.088 tors. eta vs tors. theta energy: -108.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1009.092641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.092641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.092641 (E_RNA) where: Base-Base interactions energy: -605.898 where: short stacking energy: -312.526 Base-Backbone interact. energy: -1.647 local terms energy: -401.547600 where: bonds (distance) C4'-P energy: -95.967 bonds (distance) P-C4' energy: -89.613 flat angles C4'-P-C4' energy: -93.523 flat angles P-C4'-P energy: -46.861 tors. eta vs tors. theta energy: -75.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1040.063928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.063928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.063928 (E_RNA) where: Base-Base interactions energy: -655.965 where: short stacking energy: -305.525 Base-Backbone interact. energy: -0.727 local terms energy: -383.372055 where: bonds (distance) C4'-P energy: -81.671 bonds (distance) P-C4' energy: -91.336 flat angles C4'-P-C4' energy: -85.352 flat angles P-C4'-P energy: -50.690 tors. eta vs tors. theta energy: -74.322 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: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -904.325892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.325892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.325892 (E_RNA) where: Base-Base interactions energy: -540.845 where: short stacking energy: -239.415 Base-Backbone interact. energy: -2.755 local terms energy: -360.725789 where: bonds (distance) C4'-P energy: -83.483 bonds (distance) P-C4' energy: -89.694 flat angles C4'-P-C4' energy: -73.097 flat angles P-C4'-P energy: -57.699 tors. eta vs tors. theta energy: -56.753 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: 3 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -671.258132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.258132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.258132 (E_RNA) where: Base-Base interactions energy: -378.533 where: short stacking energy: -204.599 Base-Backbone interact. energy: 0.352 local terms energy: -293.076505 where: bonds (distance) C4'-P energy: -78.944 bonds (distance) P-C4' energy: -80.297 flat angles C4'-P-C4' energy: -66.064 flat angles P-C4'-P energy: -42.007 tors. eta vs tors. theta energy: -25.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -529.161052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.161052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.161052 (E_RNA) where: Base-Base interactions energy: -267.064 where: short stacking energy: -151.252 Base-Backbone interact. energy: -1.777 local terms energy: -260.319186 where: bonds (distance) C4'-P energy: -69.082 bonds (distance) P-C4' energy: -82.035 flat angles C4'-P-C4' energy: -71.753 flat angles P-C4'-P energy: -51.365 tors. eta vs tors. theta energy: 13.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -362.327147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.327147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.327147 (E_RNA) where: Base-Base interactions energy: -102.940 where: short stacking energy: -89.301 Base-Backbone interact. energy: 6.648 local terms energy: -266.035195 where: bonds (distance) C4'-P energy: -80.576 bonds (distance) P-C4' energy: -85.025 flat angles C4'-P-C4' energy: -63.210 flat angles P-C4'-P energy: -46.003 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: 1, replica: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1568.074861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.074861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.074861 (E_RNA) where: Base-Base interactions energy: -1047.907 where: short stacking energy: -481.171 Base-Backbone interact. energy: -4.729 local terms energy: -515.438505 where: bonds (distance) C4'-P energy: -94.219 bonds (distance) P-C4' energy: -98.487 flat angles C4'-P-C4' energy: -106.461 flat angles P-C4'-P energy: -77.573 tors. eta vs tors. theta energy: -138.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1501.147185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.147185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.147185 (E_RNA) where: Base-Base interactions energy: -988.504 where: short stacking energy: -465.305 Base-Backbone interact. energy: -2.503 local terms energy: -510.140877 where: bonds (distance) C4'-P energy: -95.752 bonds (distance) P-C4' energy: -88.563 flat angles C4'-P-C4' energy: -107.276 flat angles P-C4'-P energy: -72.676 tors. eta vs tors. theta energy: -145.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1424.670262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.670262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.670262 (E_RNA) where: Base-Base interactions energy: -934.560 where: short stacking energy: -394.217 Base-Backbone interact. energy: -5.972 local terms energy: -484.138906 where: bonds (distance) C4'-P energy: -95.909 bonds (distance) P-C4' energy: -91.108 flat angles C4'-P-C4' energy: -109.644 flat angles P-C4'-P energy: -79.984 tors. eta vs tors. theta energy: -107.494 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: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1226.380831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.380831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.380831 (E_RNA) where: Base-Base interactions energy: -810.806 where: short stacking energy: -353.539 Base-Backbone interact. energy: -1.281 local terms energy: -414.294074 where: bonds (distance) C4'-P energy: -81.989 bonds (distance) P-C4' energy: -84.598 flat angles C4'-P-C4' energy: -92.468 flat angles P-C4'-P energy: -70.184 tors. eta vs tors. theta energy: -85.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -997.399676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.399676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.399676 (E_RNA) where: Base-Base interactions energy: -611.057 where: short stacking energy: -321.676 Base-Backbone interact. energy: -0.058 local terms energy: -386.284176 where: bonds (distance) C4'-P energy: -75.571 bonds (distance) P-C4' energy: -94.156 flat angles C4'-P-C4' energy: -88.222 flat angles P-C4'-P energy: -51.504 tors. eta vs tors. theta energy: -76.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1034.731691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.731691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.731691 (E_RNA) where: Base-Base interactions energy: -640.807 where: short stacking energy: -292.588 Base-Backbone interact. energy: -2.520 local terms energy: -391.404178 where: bonds (distance) C4'-P energy: -70.496 bonds (distance) P-C4' energy: -98.776 flat angles C4'-P-C4' energy: -99.161 flat angles P-C4'-P energy: -53.548 tors. eta vs tors. theta energy: -69.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -879.116365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.116365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.116365 (E_RNA) where: Base-Base interactions energy: -532.126 where: short stacking energy: -234.728 Base-Backbone interact. energy: 7.052 local terms energy: -354.042049 where: bonds (distance) C4'-P energy: -88.625 bonds (distance) P-C4' energy: -95.567 flat angles C4'-P-C4' energy: -79.798 flat angles P-C4'-P energy: -52.255 tors. eta vs tors. theta energy: -37.797 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: 3 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -644.901806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.901806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.901806 (E_RNA) where: Base-Base interactions energy: -338.150 where: short stacking energy: -201.937 Base-Backbone interact. energy: 1.302 local terms energy: -308.054276 where: bonds (distance) C4'-P energy: -79.922 bonds (distance) P-C4' energy: -66.882 flat angles C4'-P-C4' energy: -77.944 flat angles P-C4'-P energy: -50.788 tors. eta vs tors. theta energy: -32.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -559.003304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.003304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.003304 (E_RNA) where: Base-Base interactions energy: -236.581 where: short stacking energy: -141.698 Base-Backbone interact. energy: 0.213 local terms energy: -322.635156 where: bonds (distance) C4'-P energy: -90.061 bonds (distance) P-C4' energy: -90.357 flat angles C4'-P-C4' energy: -80.074 flat angles P-C4'-P energy: -58.458 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -396.969171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.969171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.969171 (E_RNA) where: Base-Base interactions energy: -137.978 where: short stacking energy: -86.200 Base-Backbone interact. energy: -3.216 local terms energy: -255.775414 where: bonds (distance) C4'-P energy: -76.296 bonds (distance) P-C4' energy: -82.167 flat angles C4'-P-C4' energy: -73.525 flat angles P-C4'-P energy: -49.618 tors. eta vs tors. theta energy: 25.831 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: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1552.126830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.126830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.126830 (E_RNA) where: Base-Base interactions energy: -1032.569 where: short stacking energy: -472.708 Base-Backbone interact. energy: -2.481 local terms energy: -517.076979 where: bonds (distance) C4'-P energy: -94.589 bonds (distance) P-C4' energy: -101.230 flat angles C4'-P-C4' energy: -107.809 flat angles P-C4'-P energy: -72.273 tors. eta vs tors. theta energy: -141.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1492.427266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.427266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.427266 (E_RNA) where: Base-Base interactions energy: -994.312 where: short stacking energy: -465.533 Base-Backbone interact. energy: 1.160 local terms energy: -499.275988 where: bonds (distance) C4'-P energy: -93.563 bonds (distance) P-C4' energy: -96.415 flat angles C4'-P-C4' energy: -107.427 flat angles P-C4'-P energy: -70.212 tors. eta vs tors. theta energy: -131.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1376.355279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.355279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.355279 (E_RNA) where: Base-Base interactions energy: -917.063 where: short stacking energy: -405.342 Base-Backbone interact. energy: -5.733 local terms energy: -453.559200 where: bonds (distance) C4'-P energy: -82.105 bonds (distance) P-C4' energy: -102.701 flat angles C4'-P-C4' energy: -101.737 flat angles P-C4'-P energy: -54.132 tors. eta vs tors. theta energy: -112.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1252.442504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.442504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.442504 (E_RNA) where: Base-Base interactions energy: -808.237 where: short stacking energy: -376.904 Base-Backbone interact. energy: -0.843 local terms energy: -443.362650 where: bonds (distance) C4'-P energy: -87.559 bonds (distance) P-C4' energy: -90.129 flat angles C4'-P-C4' energy: -90.671 flat angles P-C4'-P energy: -58.868 tors. eta vs tors. theta energy: -116.136 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: 5, replica: 1 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1075.482138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.482138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.482138 (E_RNA) where: Base-Base interactions energy: -666.686 where: short stacking energy: -314.900 Base-Backbone interact. energy: -1.081 local terms energy: -407.715012 where: bonds (distance) C4'-P energy: -80.291 bonds (distance) P-C4' energy: -87.512 flat angles C4'-P-C4' energy: -91.333 flat angles P-C4'-P energy: -65.838 tors. eta vs tors. theta energy: -82.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1009.859881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.859881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.859881 (E_RNA) where: Base-Base interactions energy: -647.658 where: short stacking energy: -281.139 Base-Backbone interact. energy: -1.272 local terms energy: -360.929936 where: bonds (distance) C4'-P energy: -82.818 bonds (distance) P-C4' energy: -82.268 flat angles C4'-P-C4' energy: -80.179 flat angles P-C4'-P energy: -59.694 tors. eta vs tors. theta energy: -55.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -861.437759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.437759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.437759 (E_RNA) where: Base-Base interactions energy: -499.900 where: short stacking energy: -250.402 Base-Backbone interact. energy: -0.454 local terms energy: -361.083336 where: bonds (distance) C4'-P energy: -81.453 bonds (distance) P-C4' energy: -86.280 flat angles C4'-P-C4' energy: -84.970 flat angles P-C4'-P energy: -55.195 tors. eta vs tors. theta energy: -53.186 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: 8, replica: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -659.722824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.722824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.722824 (E_RNA) where: Base-Base interactions energy: -342.078 where: short stacking energy: -203.049 Base-Backbone interact. energy: -0.338 local terms energy: -317.306846 where: bonds (distance) C4'-P energy: -79.358 bonds (distance) P-C4' energy: -76.091 flat angles C4'-P-C4' energy: -89.583 flat angles P-C4'-P energy: -39.800 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: 9, replica: 5 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -534.290074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.290074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.290074 (E_RNA) where: Base-Base interactions energy: -274.815 where: short stacking energy: -162.369 Base-Backbone interact. energy: -0.943 local terms energy: -258.531878 where: bonds (distance) C4'-P energy: -57.816 bonds (distance) P-C4' energy: -64.090 flat angles C4'-P-C4' energy: -75.326 flat angles P-C4'-P energy: -52.875 tors. eta vs tors. theta energy: -8.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -396.433302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.433302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.433302 (E_RNA) where: Base-Base interactions energy: -118.384 where: short stacking energy: -97.632 Base-Backbone interact. energy: -2.085 local terms energy: -275.964778 where: bonds (distance) C4'-P energy: -97.190 bonds (distance) P-C4' energy: -91.036 flat angles C4'-P-C4' energy: -53.424 flat angles P-C4'-P energy: -36.386 tors. eta vs tors. theta energy: 2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1546.580639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.580639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.580639 (E_RNA) where: Base-Base interactions energy: -1034.362 where: short stacking energy: -452.132 Base-Backbone interact. energy: -3.285 local terms energy: -508.933692 where: bonds (distance) C4'-P energy: -98.679 bonds (distance) P-C4' energy: -96.199 flat angles C4'-P-C4' energy: -108.817 flat angles P-C4'-P energy: -75.752 tors. eta vs tors. theta energy: -129.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1493.796090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.796090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.796090 (E_RNA) where: Base-Base interactions energy: -997.578 where: short stacking energy: -473.662 Base-Backbone interact. energy: -2.392 local terms energy: -493.825580 where: bonds (distance) C4'-P energy: -95.121 bonds (distance) P-C4' energy: -81.681 flat angles C4'-P-C4' energy: -100.011 flat angles P-C4'-P energy: -75.055 tors. eta vs tors. theta energy: -141.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1401.769168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.769168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.769168 (E_RNA) where: Base-Base interactions energy: -949.948 where: short stacking energy: -414.518 Base-Backbone interact. energy: -5.068 local terms energy: -446.753539 where: bonds (distance) C4'-P energy: -85.326 bonds (distance) P-C4' energy: -87.392 flat angles C4'-P-C4' energy: -103.915 flat angles P-C4'-P energy: -57.973 tors. eta vs tors. theta energy: -112.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1277.302477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.302477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.302477 (E_RNA) where: Base-Base interactions energy: -850.926 where: short stacking energy: -383.524 Base-Backbone interact. energy: -0.354 local terms energy: -426.022888 where: bonds (distance) C4'-P energy: -94.672 bonds (distance) P-C4' energy: -74.481 flat angles C4'-P-C4' energy: -87.334 flat angles P-C4'-P energy: -70.903 tors. eta vs tors. theta energy: -98.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1102.738101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.738101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.738101 (E_RNA) where: Base-Base interactions energy: -699.816 where: short stacking energy: -327.167 Base-Backbone interact. energy: -1.306 local terms energy: -401.616306 where: bonds (distance) C4'-P energy: -82.197 bonds (distance) P-C4' energy: -81.152 flat angles C4'-P-C4' energy: -101.228 flat angles P-C4'-P energy: -55.442 tors. eta vs tors. theta energy: -81.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1057.740301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.740301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.740301 (E_RNA) where: Base-Base interactions energy: -666.432 where: short stacking energy: -323.314 Base-Backbone interact. energy: 0.366 local terms energy: -391.674002 where: bonds (distance) C4'-P energy: -75.347 bonds (distance) P-C4' energy: -100.938 flat angles C4'-P-C4' energy: -85.363 flat angles P-C4'-P energy: -62.403 tors. eta vs tors. theta energy: -67.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -896.869863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.869863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.869863 (E_RNA) where: Base-Base interactions energy: -522.644 where: short stacking energy: -244.896 Base-Backbone interact. energy: -0.764 local terms energy: -373.461696 where: bonds (distance) C4'-P energy: -82.038 bonds (distance) P-C4' energy: -86.167 flat angles C4'-P-C4' energy: -95.422 flat angles P-C4'-P energy: -62.788 tors. eta vs tors. theta energy: -47.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -686.788594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.788594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.788594 (E_RNA) where: Base-Base interactions energy: -358.437 where: short stacking energy: -185.597 Base-Backbone interact. energy: 1.928 local terms energy: -330.279927 where: bonds (distance) C4'-P energy: -82.347 bonds (distance) P-C4' energy: -95.705 flat angles C4'-P-C4' energy: -76.039 flat angles P-C4'-P energy: -57.732 tors. eta vs tors. theta energy: -18.458 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: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -536.282273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.282273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.282273 (E_RNA) where: Base-Base interactions energy: -252.203 where: short stacking energy: -159.408 Base-Backbone interact. energy: 1.947 local terms energy: -286.025774 where: bonds (distance) C4'-P energy: -72.209 bonds (distance) P-C4' energy: -65.170 flat angles C4'-P-C4' energy: -82.902 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: -14.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -395.952195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.952195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.952195 (E_RNA) where: Base-Base interactions energy: -166.917 where: short stacking energy: -119.371 Base-Backbone interact. energy: 4.473 local terms energy: -233.508147 where: bonds (distance) C4'-P energy: -67.218 bonds (distance) P-C4' energy: -97.689 flat angles C4'-P-C4' energy: -68.439 flat angles P-C4'-P energy: -31.701 tors. eta vs tors. theta energy: 31.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1533.711598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.711598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.711598 (E_RNA) where: Base-Base interactions energy: -1021.345 where: short stacking energy: -442.935 Base-Backbone interact. energy: -3.232 local terms energy: -509.134458 where: bonds (distance) C4'-P energy: -101.872 bonds (distance) P-C4' energy: -101.212 flat angles C4'-P-C4' energy: -97.481 flat angles P-C4'-P energy: -70.740 tors. eta vs tors. theta energy: -137.830 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: 4 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1516.692175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.692175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.692175 (E_RNA) where: Base-Base interactions energy: -999.061 where: short stacking energy: -474.648 Base-Backbone interact. energy: -1.034 local terms energy: -516.596918 where: bonds (distance) C4'-P energy: -96.350 bonds (distance) P-C4' energy: -86.441 flat angles C4'-P-C4' energy: -106.682 flat angles P-C4'-P energy: -73.870 tors. eta vs tors. theta energy: -153.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1451.748253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.748253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.748253 (E_RNA) where: Base-Base interactions energy: -981.623 where: short stacking energy: -435.261 Base-Backbone interact. energy: -1.489 local terms energy: -468.636176 where: bonds (distance) C4'-P energy: -98.424 bonds (distance) P-C4' energy: -80.133 flat angles C4'-P-C4' energy: -98.209 flat angles P-C4'-P energy: -65.538 tors. eta vs tors. theta energy: -126.333 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: 10 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1280.961933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.961933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.961933 (E_RNA) where: Base-Base interactions energy: -842.721 where: short stacking energy: -376.432 Base-Backbone interact. energy: 0.589 local terms energy: -438.829803 where: bonds (distance) C4'-P energy: -93.082 bonds (distance) P-C4' energy: -88.742 flat angles C4'-P-C4' energy: -87.575 flat angles P-C4'-P energy: -66.007 tors. eta vs tors. theta energy: -103.424 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: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1046.546937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.546937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.546937 (E_RNA) where: Base-Base interactions energy: -654.222 where: short stacking energy: -321.738 Base-Backbone interact. energy: -1.298 local terms energy: -391.026341 where: bonds (distance) C4'-P energy: -82.229 bonds (distance) P-C4' energy: -86.374 flat angles C4'-P-C4' energy: -92.195 flat angles P-C4'-P energy: -60.428 tors. eta vs tors. theta energy: -69.800 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: 6, replica: 7 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -973.948908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.948908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.948908 (E_RNA) where: Base-Base interactions energy: -639.896 where: short stacking energy: -278.871 Base-Backbone interact. energy: -0.811 local terms energy: -333.241568 where: bonds (distance) C4'-P energy: -67.307 bonds (distance) P-C4' energy: -79.115 flat angles C4'-P-C4' energy: -86.674 flat angles P-C4'-P energy: -56.771 tors. eta vs tors. theta energy: -43.374 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: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -896.109168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.109168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.109168 (E_RNA) where: Base-Base interactions energy: -540.419 where: short stacking energy: -258.528 Base-Backbone interact. energy: 3.591 local terms energy: -359.281006 where: bonds (distance) C4'-P energy: -91.540 bonds (distance) P-C4' energy: -74.366 flat angles C4'-P-C4' energy: -89.005 flat angles P-C4'-P energy: -53.645 tors. eta vs tors. theta energy: -50.726 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: 8, replica: 3 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -677.549207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.549207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.549207 (E_RNA) where: Base-Base interactions energy: -368.923 where: short stacking energy: -194.389 Base-Backbone interact. energy: -2.412 local terms energy: -306.214311 where: bonds (distance) C4'-P energy: -82.621 bonds (distance) P-C4' energy: -83.151 flat angles C4'-P-C4' energy: -84.906 flat angles P-C4'-P energy: -47.108 tors. eta vs tors. theta energy: -8.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -558.085097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.085097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.085097 (E_RNA) where: Base-Base interactions energy: -274.152 where: short stacking energy: -155.356 Base-Backbone interact. energy: -0.388 local terms energy: -283.545725 where: bonds (distance) C4'-P energy: -72.655 bonds (distance) P-C4' energy: -69.827 flat angles C4'-P-C4' energy: -80.214 flat angles P-C4'-P energy: -43.260 tors. eta vs tors. theta energy: -17.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -376.874385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.874385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.874385 (E_RNA) where: Base-Base interactions energy: -109.287 where: short stacking energy: -95.874 Base-Backbone interact. energy: -0.992 local terms energy: -266.595781 where: bonds (distance) C4'-P energy: -80.048 bonds (distance) P-C4' energy: -84.234 flat angles C4'-P-C4' energy: -90.818 flat angles P-C4'-P energy: -27.468 tors. eta vs tors. theta energy: 15.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1559.083373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.083373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.083373 (E_RNA) where: Base-Base interactions energy: -1029.326 where: short stacking energy: -486.584 Base-Backbone interact. energy: -4.929 local terms energy: -524.828642 where: bonds (distance) C4'-P energy: -95.312 bonds (distance) P-C4' energy: -93.885 flat angles C4'-P-C4' energy: -108.463 flat angles P-C4'-P energy: -75.897 tors. eta vs tors. theta energy: -151.272 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: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1486.842640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.842640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.842640 (E_RNA) where: Base-Base interactions energy: -1008.582 where: short stacking energy: -451.542 Base-Backbone interact. energy: -3.578 local terms energy: -474.682492 where: bonds (distance) C4'-P energy: -84.395 bonds (distance) P-C4' energy: -99.787 flat angles C4'-P-C4' energy: -105.511 flat angles P-C4'-P energy: -63.009 tors. eta vs tors. theta energy: -121.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1437.493244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.493244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.493244 (E_RNA) where: Base-Base interactions energy: -986.457 where: short stacking energy: -421.721 Base-Backbone interact. energy: 0.433 local terms energy: -451.469039 where: bonds (distance) C4'-P energy: -77.320 bonds (distance) P-C4' energy: -82.163 flat angles C4'-P-C4' energy: -111.323 flat angles P-C4'-P energy: -60.709 tors. eta vs tors. theta energy: -119.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1297.080152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.080152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.080152 (E_RNA) where: Base-Base interactions energy: -853.804 where: short stacking energy: -404.262 Base-Backbone interact. energy: -0.502 local terms energy: -442.774568 where: bonds (distance) C4'-P energy: -86.673 bonds (distance) P-C4' energy: -91.951 flat angles C4'-P-C4' energy: -94.650 flat angles P-C4'-P energy: -56.932 tors. eta vs tors. theta energy: -112.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1029.267101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.267101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.267101 (E_RNA) where: Base-Base interactions energy: -637.137 where: short stacking energy: -304.311 Base-Backbone interact. energy: -1.226 local terms energy: -390.903985 where: bonds (distance) C4'-P energy: -86.003 bonds (distance) P-C4' energy: -84.704 flat angles C4'-P-C4' energy: -102.477 flat angles P-C4'-P energy: -52.990 tors. eta vs tors. theta energy: -64.730 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: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -939.952290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.952290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.952290 (E_RNA) where: Base-Base interactions energy: -598.098 where: short stacking energy: -269.165 Base-Backbone interact. energy: 0.245 local terms energy: -342.099226 where: bonds (distance) C4'-P energy: -90.359 bonds (distance) P-C4' energy: -77.830 flat angles C4'-P-C4' energy: -66.936 flat angles P-C4'-P energy: -50.337 tors. eta vs tors. theta energy: -56.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -899.489980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.489980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.489980 (E_RNA) where: Base-Base interactions energy: -525.220 where: short stacking energy: -239.141 Base-Backbone interact. energy: -0.100 local terms energy: -374.169100 where: bonds (distance) C4'-P energy: -93.473 bonds (distance) P-C4' energy: -82.339 flat angles C4'-P-C4' energy: -80.602 flat angles P-C4'-P energy: -60.526 tors. eta vs tors. theta energy: -57.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -710.320953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.320953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.320953 (E_RNA) where: Base-Base interactions energy: -405.999 where: short stacking energy: -211.984 Base-Backbone interact. energy: -1.196 local terms energy: -303.126852 where: bonds (distance) C4'-P energy: -77.715 bonds (distance) P-C4' energy: -76.966 flat angles C4'-P-C4' energy: -79.356 flat angles P-C4'-P energy: -45.504 tors. eta vs tors. theta energy: -23.586 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: 5 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -555.110586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.110586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.110586 (E_RNA) where: Base-Base interactions energy: -278.653 where: short stacking energy: -167.416 Base-Backbone interact. energy: 3.956 local terms energy: -280.414206 where: bonds (distance) C4'-P energy: -76.115 bonds (distance) P-C4' energy: -85.766 flat angles C4'-P-C4' energy: -76.095 flat angles P-C4'-P energy: -42.498 tors. eta vs tors. theta energy: 0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -392.841249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.841249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.841249 (E_RNA) where: Base-Base interactions energy: -133.439 where: short stacking energy: -115.351 Base-Backbone interact. energy: 0.651 local terms energy: -260.052768 where: bonds (distance) C4'-P energy: -76.829 bonds (distance) P-C4' energy: -74.962 flat angles C4'-P-C4' energy: -67.561 flat angles P-C4'-P energy: -49.143 tors. eta vs tors. theta energy: 8.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1501.780748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.780748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.780748 (E_RNA) where: Base-Base interactions energy: -995.935 where: short stacking energy: -478.873 Base-Backbone interact. energy: -2.407 local terms energy: -503.438383 where: bonds (distance) C4'-P energy: -90.695 bonds (distance) P-C4' energy: -92.709 flat angles C4'-P-C4' energy: -102.554 flat angles P-C4'-P energy: -71.165 tors. eta vs tors. theta energy: -146.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1505.387144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.387144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.387144 (E_RNA) where: Base-Base interactions energy: -1004.094 where: short stacking energy: -452.046 Base-Backbone interact. energy: -3.505 local terms energy: -497.787906 where: bonds (distance) C4'-P energy: -94.103 bonds (distance) P-C4' energy: -95.845 flat angles C4'-P-C4' energy: -99.444 flat angles P-C4'-P energy: -64.943 tors. eta vs tors. theta energy: -143.453 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: 6 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1437.049663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.049663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.049663 (E_RNA) where: Base-Base interactions energy: -979.096 where: short stacking energy: -423.862 Base-Backbone interact. energy: -8.146 local terms energy: -449.807316 where: bonds (distance) C4'-P energy: -84.282 bonds (distance) P-C4' energy: -97.778 flat angles C4'-P-C4' energy: -99.670 flat angles P-C4'-P energy: -54.982 tors. eta vs tors. theta energy: -113.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1269.016609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.016609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.016609 (E_RNA) where: Base-Base interactions energy: -837.731 where: short stacking energy: -372.523 Base-Backbone interact. energy: -1.483 local terms energy: -429.802562 where: bonds (distance) C4'-P energy: -78.016 bonds (distance) P-C4' energy: -97.174 flat angles C4'-P-C4' energy: -100.783 flat angles P-C4'-P energy: -52.924 tors. eta vs tors. theta energy: -100.906 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: 385 Temperature: 1.100000 Total energy: -1001.969896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.969896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.969896 (E_RNA) where: Base-Base interactions energy: -610.152 where: short stacking energy: -295.517 Base-Backbone interact. energy: -1.005 local terms energy: -390.812706 where: bonds (distance) C4'-P energy: -86.270 bonds (distance) P-C4' energy: -89.300 flat angles C4'-P-C4' energy: -87.042 flat angles P-C4'-P energy: -57.357 tors. eta vs tors. theta energy: -70.843 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: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -957.830602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.830602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.830602 (E_RNA) where: Base-Base interactions energy: -612.652 where: short stacking energy: -291.790 Base-Backbone interact. energy: -1.023 local terms energy: -344.155321 where: bonds (distance) C4'-P energy: -68.837 bonds (distance) P-C4' energy: -78.675 flat angles C4'-P-C4' energy: -80.015 flat angles P-C4'-P energy: -56.356 tors. eta vs tors. theta energy: -60.272 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: 2 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -911.589530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.589530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.589530 (E_RNA) where: Base-Base interactions energy: -546.416 where: short stacking energy: -251.975 Base-Backbone interact. energy: -1.818 local terms energy: -363.356162 where: bonds (distance) C4'-P energy: -78.455 bonds (distance) P-C4' energy: -84.319 flat angles C4'-P-C4' energy: -76.930 flat angles P-C4'-P energy: -56.955 tors. eta vs tors. theta energy: -66.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -702.790738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.790738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.790738 (E_RNA) where: Base-Base interactions energy: -409.431 where: short stacking energy: -217.655 Base-Backbone interact. energy: -1.156 local terms energy: -292.203224 where: bonds (distance) C4'-P energy: -76.315 bonds (distance) P-C4' energy: -80.429 flat angles C4'-P-C4' energy: -70.119 flat angles P-C4'-P energy: -37.009 tors. eta vs tors. theta energy: -28.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -548.979560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.979560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.979560 (E_RNA) where: Base-Base interactions energy: -259.195 where: short stacking energy: -160.411 Base-Backbone interact. energy: -2.108 local terms energy: -287.676538 where: bonds (distance) C4'-P energy: -76.674 bonds (distance) P-C4' energy: -73.685 flat angles C4'-P-C4' energy: -68.860 flat angles P-C4'-P energy: -52.549 tors. eta vs tors. theta energy: -15.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -392.370068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.370068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.370068 (E_RNA) where: Base-Base interactions energy: -138.256 where: short stacking energy: -119.867 Base-Backbone interact. energy: -1.836 local terms energy: -252.277973 where: bonds (distance) C4'-P energy: -74.084 bonds (distance) P-C4' energy: -85.292 flat angles C4'-P-C4' energy: -68.664 flat angles P-C4'-P energy: -40.068 tors. eta vs tors. theta energy: 15.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1578.802960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.802960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.802960 (E_RNA) where: Base-Base interactions energy: -1048.615 where: short stacking energy: -479.180 Base-Backbone interact. energy: -2.511 local terms energy: -527.676676 where: bonds (distance) C4'-P energy: -92.876 bonds (distance) P-C4' energy: -100.183 flat angles C4'-P-C4' energy: -113.143 flat angles P-C4'-P energy: -71.579 tors. eta vs tors. theta energy: -149.897 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: 4 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1478.963663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.963663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.963663 (E_RNA) where: Base-Base interactions energy: -976.257 where: short stacking energy: -451.065 Base-Backbone interact. energy: -1.170 local terms energy: -501.537078 where: bonds (distance) C4'-P energy: -88.734 bonds (distance) P-C4' energy: -101.227 flat angles C4'-P-C4' energy: -107.561 flat angles P-C4'-P energy: -75.357 tors. eta vs tors. theta energy: -128.658 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: 6 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1413.239167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.239167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.239167 (E_RNA) where: Base-Base interactions energy: -950.558 where: short stacking energy: -415.692 Base-Backbone interact. energy: -4.934 local terms energy: -457.747155 where: bonds (distance) C4'-P energy: -86.059 bonds (distance) P-C4' energy: -90.105 flat angles C4'-P-C4' energy: -98.971 flat angles P-C4'-P energy: -62.888 tors. eta vs tors. theta energy: -119.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1264.981208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.981208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.981208 (E_RNA) where: Base-Base interactions energy: -821.532 where: short stacking energy: -364.046 Base-Backbone interact. energy: 1.591 local terms energy: -445.040079 where: bonds (distance) C4'-P energy: -96.391 bonds (distance) P-C4' energy: -88.827 flat angles C4'-P-C4' energy: -96.110 flat angles P-C4'-P energy: -60.425 tors. eta vs tors. theta energy: -103.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -987.340344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.340344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.340344 (E_RNA) where: Base-Base interactions energy: -597.704 where: short stacking energy: -305.718 Base-Backbone interact. energy: 0.690 local terms energy: -390.325733 where: bonds (distance) C4'-P energy: -85.035 bonds (distance) P-C4' energy: -94.580 flat angles C4'-P-C4' energy: -88.393 flat angles P-C4'-P energy: -49.215 tors. eta vs tors. theta energy: -73.103 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: 7 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -988.529069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.529069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.529069 (E_RNA) where: Base-Base interactions energy: -633.304 where: short stacking energy: -289.941 Base-Backbone interact. energy: -0.441 local terms energy: -354.784350 where: bonds (distance) C4'-P energy: -65.859 bonds (distance) P-C4' energy: -91.474 flat angles C4'-P-C4' energy: -90.579 flat angles P-C4'-P energy: -54.897 tors. eta vs tors. theta energy: -51.976 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: 2 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -891.665990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.665990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.665990 (E_RNA) where: Base-Base interactions energy: -543.156 where: short stacking energy: -242.432 Base-Backbone interact. energy: -1.298 local terms energy: -347.211425 where: bonds (distance) C4'-P energy: -88.322 bonds (distance) P-C4' energy: -83.006 flat angles C4'-P-C4' energy: -80.302 flat angles P-C4'-P energy: -45.817 tors. eta vs tors. theta energy: -49.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -682.982465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.982465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.982465 (E_RNA) where: Base-Base interactions energy: -395.011 where: short stacking energy: -182.651 Base-Backbone interact. energy: -1.377 local terms energy: -286.594944 where: bonds (distance) C4'-P energy: -76.284 bonds (distance) P-C4' energy: -87.067 flat angles C4'-P-C4' energy: -71.460 flat angles P-C4'-P energy: -37.152 tors. eta vs tors. theta energy: -14.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -589.052140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.052140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.052140 (E_RNA) where: Base-Base interactions energy: -307.647 where: short stacking energy: -180.366 Base-Backbone interact. energy: 0.378 local terms energy: -281.783117 where: bonds (distance) C4'-P energy: -83.945 bonds (distance) P-C4' energy: -79.944 flat angles C4'-P-C4' energy: -56.840 flat angles P-C4'-P energy: -48.695 tors. eta vs tors. theta energy: -12.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -401.337297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.337297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.337297 (E_RNA) where: Base-Base interactions energy: -146.533 where: short stacking energy: -131.416 Base-Backbone interact. energy: 0.599 local terms energy: -255.402901 where: bonds (distance) C4'-P energy: -64.510 bonds (distance) P-C4' energy: -83.506 flat angles C4'-P-C4' energy: -59.052 flat angles P-C4'-P energy: -50.292 tors. eta vs tors. theta energy: 1.957 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: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1534.197540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.197540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.197540 (E_RNA) where: Base-Base interactions energy: -1032.115 where: short stacking energy: -439.293 Base-Backbone interact. energy: -1.774 local terms energy: -500.308587 where: bonds (distance) C4'-P energy: -82.995 bonds (distance) P-C4' energy: -97.699 flat angles C4'-P-C4' energy: -110.396 flat angles P-C4'-P energy: -69.721 tors. eta vs tors. theta energy: -139.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1469.775151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.775151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.775151 (E_RNA) where: Base-Base interactions energy: -983.506 where: short stacking energy: -454.369 Base-Backbone interact. energy: 0.401 local terms energy: -486.669743 where: bonds (distance) C4'-P energy: -97.306 bonds (distance) P-C4' energy: -85.588 flat angles C4'-P-C4' energy: -105.946 flat angles P-C4'-P energy: -62.979 tors. eta vs tors. theta energy: -134.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1423.708380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.708380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.708380 (E_RNA) where: Base-Base interactions energy: -953.186 where: short stacking energy: -417.039 Base-Backbone interact. energy: -2.663 local terms energy: -467.859046 where: bonds (distance) C4'-P energy: -90.378 bonds (distance) P-C4' energy: -93.474 flat angles C4'-P-C4' energy: -106.888 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: -121.542 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: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1295.218371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.218371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.218371 (E_RNA) where: Base-Base interactions energy: -858.361 where: short stacking energy: -384.048 Base-Backbone interact. energy: 0.402 local terms energy: -437.259064 where: bonds (distance) C4'-P energy: -91.827 bonds (distance) P-C4' energy: -85.874 flat angles C4'-P-C4' energy: -77.645 flat angles P-C4'-P energy: -63.567 tors. eta vs tors. theta energy: -118.346 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: 5, replica: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1040.475868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.475868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.475868 (E_RNA) where: Base-Base interactions energy: -658.136 where: short stacking energy: -322.630 Base-Backbone interact. energy: -2.642 local terms energy: -379.698431 where: bonds (distance) C4'-P energy: -87.893 bonds (distance) P-C4' energy: -89.597 flat angles C4'-P-C4' energy: -73.299 flat angles P-C4'-P energy: -47.611 tors. eta vs tors. theta energy: -81.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1049.948049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.948049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.948049 (E_RNA) where: Base-Base interactions energy: -667.412 where: short stacking energy: -288.033 Base-Backbone interact. energy: 0.211 local terms energy: -382.747337 where: bonds (distance) C4'-P energy: -63.668 bonds (distance) P-C4' energy: -88.390 flat angles C4'-P-C4' energy: -97.719 flat angles P-C4'-P energy: -59.295 tors. eta vs tors. theta energy: -73.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -885.964930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.964930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.964930 (E_RNA) where: Base-Base interactions energy: -516.677 where: short stacking energy: -252.957 Base-Backbone interact. energy: -2.434 local terms energy: -366.854111 where: bonds (distance) C4'-P energy: -80.822 bonds (distance) P-C4' energy: -89.040 flat angles C4'-P-C4' energy: -72.903 flat angles P-C4'-P energy: -57.410 tors. eta vs tors. theta energy: -66.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -687.498578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.498578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.498578 (E_RNA) where: Base-Base interactions energy: -398.480 where: short stacking energy: -192.919 Base-Backbone interact. energy: -1.833 local terms energy: -287.185344 where: bonds (distance) C4'-P energy: -75.456 bonds (distance) P-C4' energy: -78.416 flat angles C4'-P-C4' energy: -81.546 flat angles P-C4'-P energy: -38.418 tors. eta vs tors. theta energy: -13.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -544.483160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.483160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.483160 (E_RNA) where: Base-Base interactions energy: -274.391 where: short stacking energy: -141.212 Base-Backbone interact. energy: 4.922 local terms energy: -275.014278 where: bonds (distance) C4'-P energy: -68.789 bonds (distance) P-C4' energy: -94.754 flat angles C4'-P-C4' energy: -68.624 flat angles P-C4'-P energy: -40.545 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -385.802353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.802353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.802353 (E_RNA) where: Base-Base interactions energy: -137.146 where: short stacking energy: -113.733 Base-Backbone interact. energy: -1.096 local terms energy: -247.560714 where: bonds (distance) C4'-P energy: -73.318 bonds (distance) P-C4' energy: -84.903 flat angles C4'-P-C4' energy: -67.142 flat angles P-C4'-P energy: -30.907 tors. eta vs tors. theta energy: 8.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1577.356122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.356122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.356122 (E_RNA) where: Base-Base interactions energy: -1062.731 where: short stacking energy: -453.821 Base-Backbone interact. energy: -2.839 local terms energy: -511.786212 where: bonds (distance) C4'-P energy: -97.224 bonds (distance) P-C4' energy: -101.633 flat angles C4'-P-C4' energy: -103.262 flat angles P-C4'-P energy: -67.711 tors. eta vs tors. theta energy: -141.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1488.283739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.283739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.283739 (E_RNA) where: Base-Base interactions energy: -1007.180 where: short stacking energy: -452.992 Base-Backbone interact. energy: -0.096 local terms energy: -481.007343 where: bonds (distance) C4'-P energy: -77.640 bonds (distance) P-C4' energy: -99.774 flat angles C4'-P-C4' energy: -95.523 flat angles P-C4'-P energy: -69.013 tors. eta vs tors. theta energy: -139.058 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: 6 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1477.857245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.857245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.857245 (E_RNA) where: Base-Base interactions energy: -1009.299 where: short stacking energy: -430.902 Base-Backbone interact. energy: -4.497 local terms energy: -464.061347 where: bonds (distance) C4'-P energy: -90.798 bonds (distance) P-C4' energy: -98.724 flat angles C4'-P-C4' energy: -95.482 flat angles P-C4'-P energy: -51.651 tors. eta vs tors. theta energy: -127.406 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: 10 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1323.265875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.265875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.265875 (E_RNA) where: Base-Base interactions energy: -872.238 where: short stacking energy: -391.384 Base-Backbone interact. energy: -1.896 local terms energy: -449.131380 where: bonds (distance) C4'-P energy: -89.414 bonds (distance) P-C4' energy: -82.471 flat angles C4'-P-C4' energy: -95.000 flat angles P-C4'-P energy: -73.261 tors. eta vs tors. theta energy: -108.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1105.845081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.845081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.845081 (E_RNA) where: Base-Base interactions energy: -706.064 where: short stacking energy: -304.990 Base-Backbone interact. energy: -4.496 local terms energy: -395.285280 where: bonds (distance) C4'-P energy: -85.127 bonds (distance) P-C4' energy: -83.626 flat angles C4'-P-C4' energy: -92.254 flat angles P-C4'-P energy: -55.416 tors. eta vs tors. theta energy: -78.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -994.609685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.609685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.609685 (E_RNA) where: Base-Base interactions energy: -611.814 where: short stacking energy: -294.288 Base-Backbone interact. energy: -1.613 local terms energy: -381.182327 where: bonds (distance) C4'-P energy: -88.026 bonds (distance) P-C4' energy: -80.591 flat angles C4'-P-C4' energy: -91.153 flat angles P-C4'-P energy: -52.852 tors. eta vs tors. theta energy: -68.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -924.022787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.022787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.022787 (E_RNA) where: Base-Base interactions energy: -570.056 where: short stacking energy: -263.947 Base-Backbone interact. energy: -2.402 local terms energy: -351.563947 where: bonds (distance) C4'-P energy: -73.037 bonds (distance) P-C4' energy: -88.487 flat angles C4'-P-C4' energy: -80.963 flat angles P-C4'-P energy: -62.600 tors. eta vs tors. theta energy: -46.477 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: 3 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -685.906781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.906781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.906781 (E_RNA) where: Base-Base interactions energy: -395.950 where: short stacking energy: -185.604 Base-Backbone interact. energy: -2.412 local terms energy: -287.544829 where: bonds (distance) C4'-P energy: -66.251 bonds (distance) P-C4' energy: -89.231 flat angles C4'-P-C4' energy: -77.332 flat angles P-C4'-P energy: -37.734 tors. eta vs tors. theta energy: -16.996 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: 5 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -557.161957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.161957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.161957 (E_RNA) where: Base-Base interactions energy: -285.804 where: short stacking energy: -158.884 Base-Backbone interact. energy: -0.213 local terms energy: -271.145180 where: bonds (distance) C4'-P energy: -82.387 bonds (distance) P-C4' energy: -74.247 flat angles C4'-P-C4' energy: -65.068 flat angles P-C4'-P energy: -39.429 tors. eta vs tors. theta energy: -10.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -393.250300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.250300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.250300 (E_RNA) where: Base-Base interactions energy: -145.919 where: short stacking energy: -138.794 Base-Backbone interact. energy: -4.181 local terms energy: -243.149584 where: bonds (distance) C4'-P energy: -59.176 bonds (distance) P-C4' energy: -87.762 flat angles C4'-P-C4' energy: -72.944 flat angles P-C4'-P energy: -38.061 tors. eta vs tors. theta energy: 14.794 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: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1552.569738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.569738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.569738 (E_RNA) where: Base-Base interactions energy: -1051.791 where: short stacking energy: -447.060 Base-Backbone interact. energy: -5.528 local terms energy: -495.250714 where: bonds (distance) C4'-P energy: -96.888 bonds (distance) P-C4' energy: -84.146 flat angles C4'-P-C4' energy: -111.366 flat angles P-C4'-P energy: -63.066 tors. eta vs tors. theta energy: -139.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1502.147394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.147394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.147394 (E_RNA) where: Base-Base interactions energy: -1018.033 where: short stacking energy: -475.747 Base-Backbone interact. energy: -3.137 local terms energy: -480.977620 where: bonds (distance) C4'-P energy: -82.252 bonds (distance) P-C4' energy: -86.641 flat angles C4'-P-C4' energy: -107.131 flat angles P-C4'-P energy: -67.154 tors. eta vs tors. theta energy: -137.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1468.289308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.289308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.289308 (E_RNA) where: Base-Base interactions energy: -1011.492 where: short stacking energy: -412.309 Base-Backbone interact. energy: -3.594 local terms energy: -453.202780 where: bonds (distance) C4'-P energy: -98.256 bonds (distance) P-C4' energy: -82.291 flat angles C4'-P-C4' energy: -102.177 flat angles P-C4'-P energy: -56.948 tors. eta vs tors. theta energy: -113.532 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: 4, replica: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1344.519757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.519757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.519757 (E_RNA) where: Base-Base interactions energy: -879.180 where: short stacking energy: -407.311 Base-Backbone interact. energy: -2.199 local terms energy: -463.141707 where: bonds (distance) C4'-P energy: -94.310 bonds (distance) P-C4' energy: -88.558 flat angles C4'-P-C4' energy: -91.338 flat angles P-C4'-P energy: -59.958 tors. eta vs tors. theta energy: -128.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1119.591346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.591346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.591346 (E_RNA) where: Base-Base interactions energy: -729.086 where: short stacking energy: -339.509 Base-Backbone interact. energy: -2.877 local terms energy: -387.627468 where: bonds (distance) C4'-P energy: -87.190 bonds (distance) P-C4' energy: -80.975 flat angles C4'-P-C4' energy: -91.270 flat angles P-C4'-P energy: -54.399 tors. eta vs tors. theta energy: -73.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -977.458202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.458202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.458202 (E_RNA) where: Base-Base interactions energy: -565.489 where: short stacking energy: -287.287 Base-Backbone interact. energy: -1.277 local terms energy: -410.691794 where: bonds (distance) C4'-P energy: -87.065 bonds (distance) P-C4' energy: -89.125 flat angles C4'-P-C4' energy: -93.438 flat angles P-C4'-P energy: -63.080 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: 7, replica: 2 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -966.394492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.394492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.394492 (E_RNA) where: Base-Base interactions energy: -616.445 where: short stacking energy: -307.779 Base-Backbone interact. energy: 0.562 local terms energy: -350.512194 where: bonds (distance) C4'-P energy: -67.910 bonds (distance) P-C4' energy: -76.103 flat angles C4'-P-C4' energy: -94.522 flat angles P-C4'-P energy: -39.382 tors. eta vs tors. theta energy: -72.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -702.466123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.466123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.466123 (E_RNA) where: Base-Base interactions energy: -394.138 where: short stacking energy: -197.703 Base-Backbone interact. energy: -0.546 local terms energy: -307.781848 where: bonds (distance) C4'-P energy: -75.654 bonds (distance) P-C4' energy: -71.703 flat angles C4'-P-C4' energy: -88.049 flat angles P-C4'-P energy: -48.842 tors. eta vs tors. theta energy: -23.533 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: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -545.316464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.316464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.316464 (E_RNA) where: Base-Base interactions energy: -288.670 where: short stacking energy: -152.679 Base-Backbone interact. energy: 2.422 local terms energy: -259.067830 where: bonds (distance) C4'-P energy: -68.786 bonds (distance) P-C4' energy: -93.787 flat angles C4'-P-C4' energy: -76.019 flat angles P-C4'-P energy: -36.669 tors. eta vs tors. theta energy: 16.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -381.687702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.687702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.687702 (E_RNA) where: Base-Base interactions energy: -129.156 where: short stacking energy: -118.462 Base-Backbone interact. energy: 3.142 local terms energy: -255.673654 where: bonds (distance) C4'-P energy: -73.394 bonds (distance) P-C4' energy: -94.907 flat angles C4'-P-C4' energy: -53.909 flat angles P-C4'-P energy: -37.566 tors. eta vs tors. theta energy: 4.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1548.455232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.455232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.455232 (E_RNA) where: Base-Base interactions energy: -1031.559 where: short stacking energy: -443.645 Base-Backbone interact. energy: -5.643 local terms energy: -511.252925 where: bonds (distance) C4'-P energy: -98.347 bonds (distance) P-C4' energy: -91.206 flat angles C4'-P-C4' energy: -109.787 flat angles P-C4'-P energy: -77.800 tors. eta vs tors. theta energy: -134.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1513.361486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.361486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.361486 (E_RNA) where: Base-Base interactions energy: -1013.094 where: short stacking energy: -485.821 Base-Backbone interact. energy: 0.552 local terms energy: -500.819287 where: bonds (distance) C4'-P energy: -86.112 bonds (distance) P-C4' energy: -95.720 flat angles C4'-P-C4' energy: -103.909 flat angles P-C4'-P energy: -62.566 tors. eta vs tors. theta energy: -152.512 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: 6 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1489.627399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.627399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.627399 (E_RNA) where: Base-Base interactions energy: -1018.772 where: short stacking energy: -424.904 Base-Backbone interact. energy: -4.596 local terms energy: -466.259320 where: bonds (distance) C4'-P energy: -86.617 bonds (distance) P-C4' energy: -85.966 flat angles C4'-P-C4' energy: -108.995 flat angles P-C4'-P energy: -61.656 tors. eta vs tors. theta energy: -123.025 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: 10 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1346.414576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.414576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.414576 (E_RNA) where: Base-Base interactions energy: -897.852 where: short stacking energy: -407.859 Base-Backbone interact. energy: -0.379 local terms energy: -448.183475 where: bonds (distance) C4'-P energy: -76.234 bonds (distance) P-C4' energy: -95.654 flat angles C4'-P-C4' energy: -84.217 flat angles P-C4'-P energy: -68.499 tors. eta vs tors. theta energy: -123.580 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: 1 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -969.280021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.280021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.280021 (E_RNA) where: Base-Base interactions energy: -602.788 where: short stacking energy: -288.502 Base-Backbone interact. energy: -2.828 local terms energy: -363.663674 where: bonds (distance) C4'-P energy: -83.647 bonds (distance) P-C4' energy: -81.594 flat angles C4'-P-C4' energy: -90.534 flat angles P-C4'-P energy: -52.247 tors. eta vs tors. theta energy: -55.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1004.059206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.059206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.059206 (E_RNA) where: Base-Base interactions energy: -632.854 where: short stacking energy: -278.516 Base-Backbone interact. energy: -1.421 local terms energy: -369.783569 where: bonds (distance) C4'-P energy: -77.976 bonds (distance) P-C4' energy: -86.353 flat angles C4'-P-C4' energy: -87.096 flat angles P-C4'-P energy: -59.665 tors. eta vs tors. theta energy: -58.694 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: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -939.965704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.965704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.965704 (E_RNA) where: Base-Base interactions energy: -586.337 where: short stacking energy: -277.374 Base-Backbone interact. energy: -0.455 local terms energy: -353.172946 where: bonds (distance) C4'-P energy: -74.168 bonds (distance) P-C4' energy: -93.021 flat angles C4'-P-C4' energy: -93.534 flat angles P-C4'-P energy: -39.990 tors. eta vs tors. theta energy: -52.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -725.496870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.496870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.496870 (E_RNA) where: Base-Base interactions energy: -404.738 where: short stacking energy: -211.208 Base-Backbone interact. energy: -0.523 local terms energy: -320.235578 where: bonds (distance) C4'-P energy: -74.149 bonds (distance) P-C4' energy: -73.820 flat angles C4'-P-C4' energy: -98.124 flat angles P-C4'-P energy: -40.066 tors. eta vs tors. theta energy: -34.076 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: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -572.823404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.823404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.823404 (E_RNA) where: Base-Base interactions energy: -285.357 where: short stacking energy: -157.453 Base-Backbone interact. energy: -1.482 local terms energy: -285.984656 where: bonds (distance) C4'-P energy: -77.906 bonds (distance) P-C4' energy: -88.364 flat angles C4'-P-C4' energy: -68.531 flat angles P-C4'-P energy: -41.150 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: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -386.209722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.209722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.209722 (E_RNA) where: Base-Base interactions energy: -125.305 where: short stacking energy: -109.517 Base-Backbone interact. energy: -2.664 local terms energy: -258.240554 where: bonds (distance) C4'-P energy: -80.688 bonds (distance) P-C4' energy: -60.164 flat angles C4'-P-C4' energy: -72.278 flat angles P-C4'-P energy: -43.566 tors. eta vs tors. theta energy: -1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1543.772957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.772957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.772957 (E_RNA) where: Base-Base interactions energy: -1047.313 where: short stacking energy: -448.720 Base-Backbone interact. energy: 0.113 local terms energy: -496.572419 where: bonds (distance) C4'-P energy: -90.452 bonds (distance) P-C4' energy: -95.759 flat angles C4'-P-C4' energy: -99.114 flat angles P-C4'-P energy: -79.262 tors. eta vs tors. theta energy: -131.984 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: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1550.483711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.483711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.483711 (E_RNA) where: Base-Base interactions energy: -1070.245 where: short stacking energy: -450.730 Base-Backbone interact. energy: -4.087 local terms energy: -476.152570 where: bonds (distance) C4'-P energy: -79.195 bonds (distance) P-C4' energy: -102.232 flat angles C4'-P-C4' energy: -97.606 flat angles P-C4'-P energy: -64.163 tors. eta vs tors. theta energy: -132.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1461.557798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.557798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.557798 (E_RNA) where: Base-Base interactions energy: -982.443 where: short stacking energy: -467.743 Base-Backbone interact. energy: -0.988 local terms energy: -478.126501 where: bonds (distance) C4'-P energy: -83.356 bonds (distance) P-C4' energy: -84.466 flat angles C4'-P-C4' energy: -102.287 flat angles P-C4'-P energy: -65.161 tors. eta vs tors. theta energy: -142.857 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: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1347.971526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.971526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.971526 (E_RNA) where: Base-Base interactions energy: -893.797 where: short stacking energy: -408.132 Base-Backbone interact. energy: -0.472 local terms energy: -453.703096 where: bonds (distance) C4'-P energy: -93.165 bonds (distance) P-C4' energy: -86.543 flat angles C4'-P-C4' energy: -95.264 flat angles P-C4'-P energy: -61.385 tors. eta vs tors. theta energy: -117.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1032.667846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.667846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.667846 (E_RNA) where: Base-Base interactions energy: -622.437 where: short stacking energy: -291.389 Base-Backbone interact. energy: -3.307 local terms energy: -406.923903 where: bonds (distance) C4'-P energy: -91.636 bonds (distance) P-C4' energy: -92.425 flat angles C4'-P-C4' energy: -100.148 flat angles P-C4'-P energy: -55.654 tors. eta vs tors. theta energy: -67.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1035.362715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.362715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.362715 (E_RNA) where: Base-Base interactions energy: -654.176 where: short stacking energy: -304.036 Base-Backbone interact. energy: -1.673 local terms energy: -379.513976 where: bonds (distance) C4'-P energy: -80.730 bonds (distance) P-C4' energy: -96.484 flat angles C4'-P-C4' energy: -84.350 flat angles P-C4'-P energy: -50.284 tors. eta vs tors. theta energy: -67.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -931.702453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.702453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.702453 (E_RNA) where: Base-Base interactions energy: -565.392 where: short stacking energy: -266.658 Base-Backbone interact. energy: 1.491 local terms energy: -367.801434 where: bonds (distance) C4'-P energy: -83.906 bonds (distance) P-C4' energy: -91.972 flat angles C4'-P-C4' energy: -90.499 flat angles P-C4'-P energy: -49.368 tors. eta vs tors. theta energy: -52.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -677.758568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.758568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.758568 (E_RNA) where: Base-Base interactions energy: -372.644 where: short stacking energy: -184.627 Base-Backbone interact. energy: -1.449 local terms energy: -303.665292 where: bonds (distance) C4'-P energy: -83.417 bonds (distance) P-C4' energy: -80.114 flat angles C4'-P-C4' energy: -85.169 flat angles P-C4'-P energy: -46.977 tors. eta vs tors. theta energy: -7.989 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: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -549.377760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.377760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.377760 (E_RNA) where: Base-Base interactions energy: -273.815 where: short stacking energy: -141.915 Base-Backbone interact. energy: 0.109 local terms energy: -275.671287 where: bonds (distance) C4'-P energy: -79.093 bonds (distance) P-C4' energy: -75.718 flat angles C4'-P-C4' energy: -72.067 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: 0.070 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: 391 Temperature: 1.350000 Total energy: -385.212352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.212352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.212352 (E_RNA) where: Base-Base interactions energy: -117.890 where: short stacking energy: -106.285 Base-Backbone interact. energy: -1.228 local terms energy: -266.094281 where: bonds (distance) C4'-P energy: -99.579 bonds (distance) P-C4' energy: -72.876 flat angles C4'-P-C4' energy: -54.465 flat angles P-C4'-P energy: -51.930 tors. eta vs tors. theta energy: 12.754 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: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1560.347441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.347441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.347441 (E_RNA) where: Base-Base interactions energy: -1046.566 where: short stacking energy: -438.856 Base-Backbone interact. energy: -1.722 local terms energy: -512.059883 where: bonds (distance) C4'-P energy: -91.626 bonds (distance) P-C4' energy: -98.292 flat angles C4'-P-C4' energy: -113.691 flat angles P-C4'-P energy: -71.268 tors. eta vs tors. theta energy: -137.184 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: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1505.409904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.409904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.409904 (E_RNA) where: Base-Base interactions energy: -1019.742 where: short stacking energy: -431.476 Base-Backbone interact. energy: -5.475 local terms energy: -480.193177 where: bonds (distance) C4'-P energy: -94.824 bonds (distance) P-C4' energy: -105.602 flat angles C4'-P-C4' energy: -96.102 flat angles P-C4'-P energy: -64.520 tors. eta vs tors. theta energy: -119.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1453.493741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.493741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.493741 (E_RNA) where: Base-Base interactions energy: -971.183 where: short stacking energy: -448.932 Base-Backbone interact. energy: -0.932 local terms energy: -481.378844 where: bonds (distance) C4'-P energy: -81.438 bonds (distance) P-C4' energy: -85.473 flat angles C4'-P-C4' energy: -111.518 flat angles P-C4'-P energy: -66.635 tors. eta vs tors. theta energy: -136.315 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: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1333.484614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.484614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.484614 (E_RNA) where: Base-Base interactions energy: -885.677 where: short stacking energy: -398.665 Base-Backbone interact. energy: -2.286 local terms energy: -445.521620 where: bonds (distance) C4'-P energy: -87.819 bonds (distance) P-C4' energy: -89.039 flat angles C4'-P-C4' energy: -89.650 flat angles P-C4'-P energy: -68.899 tors. eta vs tors. theta energy: -110.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1009.667312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.667312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.667312 (E_RNA) where: Base-Base interactions energy: -635.267 where: short stacking energy: -316.417 Base-Backbone interact. energy: -0.952 local terms energy: -373.448745 where: bonds (distance) C4'-P energy: -77.451 bonds (distance) P-C4' energy: -88.689 flat angles C4'-P-C4' energy: -86.162 flat angles P-C4'-P energy: -47.071 tors. eta vs tors. theta energy: -74.076 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: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -979.053159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.053159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.053159 (E_RNA) where: Base-Base interactions energy: -623.467 where: short stacking energy: -270.764 Base-Backbone interact. energy: 0.542 local terms energy: -356.128156 where: bonds (distance) C4'-P energy: -84.445 bonds (distance) P-C4' energy: -81.264 flat angles C4'-P-C4' energy: -82.538 flat angles P-C4'-P energy: -46.951 tors. eta vs tors. theta energy: -60.930 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: 2 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -878.436691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.436691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.436691 (E_RNA) where: Base-Base interactions energy: -535.254 where: short stacking energy: -274.956 Base-Backbone interact. energy: -0.745 local terms energy: -342.437351 where: bonds (distance) C4'-P energy: -80.951 bonds (distance) P-C4' energy: -81.913 flat angles C4'-P-C4' energy: -68.608 flat angles P-C4'-P energy: -46.542 tors. eta vs tors. theta energy: -64.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -693.562141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.562141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.562141 (E_RNA) where: Base-Base interactions energy: -403.610 where: short stacking energy: -222.563 Base-Backbone interact. energy: -0.807 local terms energy: -289.145430 where: bonds (distance) C4'-P energy: -78.183 bonds (distance) P-C4' energy: -77.132 flat angles C4'-P-C4' energy: -78.687 flat angles P-C4'-P energy: -26.600 tors. eta vs tors. theta energy: -28.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -578.551154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.551154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.551154 (E_RNA) where: Base-Base interactions energy: -321.092 where: short stacking energy: -168.202 Base-Backbone interact. energy: 0.037 local terms energy: -257.496721 where: bonds (distance) C4'-P energy: -66.467 bonds (distance) P-C4' energy: -79.167 flat angles C4'-P-C4' energy: -64.660 flat angles P-C4'-P energy: -34.856 tors. eta vs tors. theta energy: -12.346 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: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -438.118901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.118901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.118901 (E_RNA) where: Base-Base interactions energy: -194.569 where: short stacking energy: -127.559 Base-Backbone interact. energy: -0.939 local terms energy: -242.611076 where: bonds (distance) C4'-P energy: -67.450 bonds (distance) P-C4' energy: -84.083 flat angles C4'-P-C4' energy: -73.290 flat angles P-C4'-P energy: -20.609 tors. eta vs tors. theta energy: 2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1553.213415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.213415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.213415 (E_RNA) where: Base-Base interactions energy: -1053.161 where: short stacking energy: -461.200 Base-Backbone interact. energy: -2.321 local terms energy: -497.731683 where: bonds (distance) C4'-P energy: -94.196 bonds (distance) P-C4' energy: -86.913 flat angles C4'-P-C4' energy: -106.192 flat angles P-C4'-P energy: -65.994 tors. eta vs tors. theta energy: -144.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1542.366647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.366647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.366647 (E_RNA) where: Base-Base interactions energy: -1059.126 where: short stacking energy: -458.564 Base-Backbone interact. energy: 1.157 local terms energy: -484.397637 where: bonds (distance) C4'-P energy: -83.730 bonds (distance) P-C4' energy: -97.937 flat angles C4'-P-C4' energy: -104.259 flat angles P-C4'-P energy: -66.918 tors. eta vs tors. theta energy: -131.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1403.875073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.875073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.875073 (E_RNA) where: Base-Base interactions energy: -907.773 where: short stacking energy: -411.723 Base-Backbone interact. energy: 1.629 local terms energy: -497.731505 where: bonds (distance) C4'-P energy: -93.587 bonds (distance) P-C4' energy: -99.957 flat angles C4'-P-C4' energy: -101.065 flat angles P-C4'-P energy: -72.998 tors. eta vs tors. theta energy: -130.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1367.562641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.562641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.562641 (E_RNA) where: Base-Base interactions energy: -909.243 where: short stacking energy: -422.083 Base-Backbone interact. energy: -0.670 local terms energy: -457.649516 where: bonds (distance) C4'-P energy: -88.416 bonds (distance) P-C4' energy: -85.043 flat angles C4'-P-C4' energy: -98.938 flat angles P-C4'-P energy: -61.559 tors. eta vs tors. theta energy: -123.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1018.996280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.996280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.996280 (E_RNA) where: Base-Base interactions energy: -634.304 where: short stacking energy: -307.621 Base-Backbone interact. energy: 1.437 local terms energy: -386.129158 where: bonds (distance) C4'-P energy: -80.607 bonds (distance) P-C4' energy: -83.514 flat angles C4'-P-C4' energy: -86.475 flat angles P-C4'-P energy: -56.116 tors. eta vs tors. theta energy: -79.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -959.595402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.595402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.595402 (E_RNA) where: Base-Base interactions energy: -607.799 where: short stacking energy: -299.279 Base-Backbone interact. energy: 3.319 local terms energy: -355.115233 where: bonds (distance) C4'-P energy: -86.375 bonds (distance) P-C4' energy: -87.955 flat angles C4'-P-C4' energy: -74.088 flat angles P-C4'-P energy: -61.482 tors. eta vs tors. theta energy: -45.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -932.262146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.262146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.262146 (E_RNA) where: Base-Base interactions energy: -574.170 where: short stacking energy: -277.161 Base-Backbone interact. energy: 3.019 local terms energy: -361.111222 where: bonds (distance) C4'-P energy: -87.175 bonds (distance) P-C4' energy: -86.421 flat angles C4'-P-C4' energy: -75.769 flat angles P-C4'-P energy: -55.625 tors. eta vs tors. theta energy: -56.120 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: 3 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -704.710842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.710842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.710842 (E_RNA) where: Base-Base interactions energy: -381.982 where: short stacking energy: -187.476 Base-Backbone interact. energy: -0.291 local terms energy: -322.437549 where: bonds (distance) C4'-P energy: -88.145 bonds (distance) P-C4' energy: -90.799 flat angles C4'-P-C4' energy: -68.631 flat angles P-C4'-P energy: -34.368 tors. eta vs tors. theta energy: -40.495 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: 5 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -535.106266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.106266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.106266 (E_RNA) where: Base-Base interactions energy: -278.572 where: short stacking energy: -157.402 Base-Backbone interact. energy: 3.957 local terms energy: -260.490707 where: bonds (distance) C4'-P energy: -65.388 bonds (distance) P-C4' energy: -87.010 flat angles C4'-P-C4' energy: -74.883 flat angles P-C4'-P energy: -37.904 tors. eta vs tors. theta energy: 4.695 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: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -455.170079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.170079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.170079 (E_RNA) where: Base-Base interactions energy: -210.436 where: short stacking energy: -141.096 Base-Backbone interact. energy: 0.813 local terms energy: -245.547069 where: bonds (distance) C4'-P energy: -62.950 bonds (distance) P-C4' energy: -87.166 flat angles C4'-P-C4' energy: -69.055 flat angles P-C4'-P energy: -36.415 tors. eta vs tors. theta energy: 10.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1583.801719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.801719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.801719 (E_RNA) where: Base-Base interactions energy: -1082.717 where: short stacking energy: -477.008 Base-Backbone interact. energy: -0.948 local terms energy: -500.136870 where: bonds (distance) C4'-P energy: -93.605 bonds (distance) P-C4' energy: -94.408 flat angles C4'-P-C4' energy: -108.512 flat angles P-C4'-P energy: -61.233 tors. eta vs tors. theta energy: -142.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1553.634115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.634115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.634115 (E_RNA) where: Base-Base interactions energy: -1058.852 where: short stacking energy: -465.554 Base-Backbone interact. energy: -2.915 local terms energy: -491.866518 where: bonds (distance) C4'-P energy: -94.442 bonds (distance) P-C4' energy: -85.413 flat angles C4'-P-C4' energy: -107.440 flat angles P-C4'-P energy: -68.377 tors. eta vs tors. theta energy: -136.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1416.432902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.432902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.432902 (E_RNA) where: Base-Base interactions energy: -937.165 where: short stacking energy: -423.141 Base-Backbone interact. energy: 0.655 local terms energy: -479.922689 where: bonds (distance) C4'-P energy: -89.273 bonds (distance) P-C4' energy: -101.890 flat angles C4'-P-C4' energy: -102.234 flat angles P-C4'-P energy: -65.551 tors. eta vs tors. theta energy: -120.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1371.334648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.334648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.334648 (E_RNA) where: Base-Base interactions energy: -920.384 where: short stacking energy: -406.239 Base-Backbone interact. energy: -3.519 local terms energy: -447.431652 where: bonds (distance) C4'-P energy: -86.948 bonds (distance) P-C4' energy: -88.206 flat angles C4'-P-C4' energy: -97.766 flat angles P-C4'-P energy: -57.874 tors. eta vs tors. theta energy: -116.638 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: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1040.327086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.327086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.327086 (E_RNA) where: Base-Base interactions energy: -643.268 where: short stacking energy: -311.911 Base-Backbone interact. energy: -1.311 local terms energy: -395.748293 where: bonds (distance) C4'-P energy: -85.578 bonds (distance) P-C4' energy: -97.097 flat angles C4'-P-C4' energy: -80.199 flat angles P-C4'-P energy: -57.218 tors. eta vs tors. theta energy: -75.656 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: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1008.172620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.172620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.172620 (E_RNA) where: Base-Base interactions energy: -638.378 where: short stacking energy: -307.757 Base-Backbone interact. energy: -1.505 local terms energy: -368.289888 where: bonds (distance) C4'-P energy: -87.232 bonds (distance) P-C4' energy: -76.927 flat angles C4'-P-C4' energy: -73.151 flat angles P-C4'-P energy: -59.013 tors. eta vs tors. theta energy: -71.968 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: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -901.467319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.467319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.467319 (E_RNA) where: Base-Base interactions energy: -541.037 where: short stacking energy: -272.319 Base-Backbone interact. energy: -0.373 local terms energy: -360.057309 where: bonds (distance) C4'-P energy: -80.082 bonds (distance) P-C4' energy: -85.430 flat angles C4'-P-C4' energy: -90.041 flat angles P-C4'-P energy: -46.803 tors. eta vs tors. theta energy: -57.701 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: 8, replica: 3 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -674.449516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.449516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.449516 (E_RNA) where: Base-Base interactions energy: -382.528 where: short stacking energy: -199.926 Base-Backbone interact. energy: 1.012 local terms energy: -292.932799 where: bonds (distance) C4'-P energy: -72.294 bonds (distance) P-C4' energy: -92.224 flat angles C4'-P-C4' energy: -69.265 flat angles P-C4'-P energy: -42.077 tors. eta vs tors. theta energy: -17.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -468.835677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.835677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.835677 (E_RNA) where: Base-Base interactions energy: -198.850 where: short stacking energy: -130.254 Base-Backbone interact. energy: 2.918 local terms energy: -272.903229 where: bonds (distance) C4'-P energy: -91.641 bonds (distance) P-C4' energy: -60.554 flat angles C4'-P-C4' energy: -78.558 flat angles P-C4'-P energy: -59.644 tors. eta vs tors. theta energy: 17.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -460.975686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.975686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.975686 (E_RNA) where: Base-Base interactions energy: -188.826 where: short stacking energy: -112.430 Base-Backbone interact. energy: -3.016 local terms energy: -269.133601 where: bonds (distance) C4'-P energy: -74.976 bonds (distance) P-C4' energy: -84.427 flat angles C4'-P-C4' energy: -72.690 flat angles P-C4'-P energy: -47.740 tors. eta vs tors. theta energy: 10.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1584.804432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.804432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.804432 (E_RNA) where: Base-Base interactions energy: -1070.744 where: short stacking energy: -477.702 Base-Backbone interact. energy: -5.003 local terms energy: -509.057018 where: bonds (distance) C4'-P energy: -88.339 bonds (distance) P-C4' energy: -91.895 flat angles C4'-P-C4' energy: -105.858 flat angles P-C4'-P energy: -78.187 tors. eta vs tors. theta energy: -144.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1515.703495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.703495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.703495 (E_RNA) where: Base-Base interactions energy: -1027.017 where: short stacking energy: -437.673 Base-Backbone interact. energy: -3.477 local terms energy: -485.209554 where: bonds (distance) C4'-P energy: -105.460 bonds (distance) P-C4' energy: -87.699 flat angles C4'-P-C4' energy: -101.760 flat angles P-C4'-P energy: -67.538 tors. eta vs tors. theta energy: -122.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1447.625695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.625695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.625695 (E_RNA) where: Base-Base interactions energy: -970.185 where: short stacking energy: -447.071 Base-Backbone interact. energy: -0.412 local terms energy: -477.029386 where: bonds (distance) C4'-P energy: -95.348 bonds (distance) P-C4' energy: -85.915 flat angles C4'-P-C4' energy: -102.042 flat angles P-C4'-P energy: -61.429 tors. eta vs tors. theta energy: -132.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1375.437843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.437843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.437843 (E_RNA) where: Base-Base interactions energy: -906.504 where: short stacking energy: -421.128 Base-Backbone interact. energy: -3.735 local terms energy: -465.198847 where: bonds (distance) C4'-P energy: -92.144 bonds (distance) P-C4' energy: -84.013 flat angles C4'-P-C4' energy: -95.204 flat angles P-C4'-P energy: -67.147 tors. eta vs tors. theta energy: -126.690 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: 7 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1046.215888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.215888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.215888 (E_RNA) where: Base-Base interactions energy: -659.036 where: short stacking energy: -334.024 Base-Backbone interact. energy: -2.284 local terms energy: -384.895839 where: bonds (distance) C4'-P energy: -81.888 bonds (distance) P-C4' energy: -85.715 flat angles C4'-P-C4' energy: -84.754 flat angles P-C4'-P energy: -52.625 tors. eta vs tors. theta energy: -79.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -987.909652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.909652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.909652 (E_RNA) where: Base-Base interactions energy: -583.390 where: short stacking energy: -298.535 Base-Backbone interact. energy: -3.281 local terms energy: -401.239098 where: bonds (distance) C4'-P energy: -104.394 bonds (distance) P-C4' energy: -86.581 flat angles C4'-P-C4' energy: -79.193 flat angles P-C4'-P energy: -58.631 tors. eta vs tors. theta energy: -72.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -936.948181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.948181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.948181 (E_RNA) where: Base-Base interactions energy: -578.011 where: short stacking energy: -277.868 Base-Backbone interact. energy: 1.431 local terms energy: -360.368104 where: bonds (distance) C4'-P energy: -93.659 bonds (distance) P-C4' energy: -82.365 flat angles C4'-P-C4' energy: -79.973 flat angles P-C4'-P energy: -45.406 tors. eta vs tors. theta energy: -58.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -688.830619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.830619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.830619 (E_RNA) where: Base-Base interactions energy: -378.313 where: short stacking energy: -194.205 Base-Backbone interact. energy: -3.873 local terms energy: -306.644249 where: bonds (distance) C4'-P energy: -84.067 bonds (distance) P-C4' energy: -82.093 flat angles C4'-P-C4' energy: -83.795 flat angles P-C4'-P energy: -46.214 tors. eta vs tors. theta energy: -10.476 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: 395 Temperature: 1.300000 Total energy: -463.853540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.853540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.853540 (E_RNA) where: Base-Base interactions energy: -201.994 where: short stacking energy: -130.229 Base-Backbone interact. energy: -2.222 local terms energy: -259.636971 where: bonds (distance) C4'-P energy: -80.810 bonds (distance) P-C4' energy: -85.431 flat angles C4'-P-C4' energy: -78.846 flat angles P-C4'-P energy: -29.574 tors. eta vs tors. theta energy: 15.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -450.680997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.680997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.680997 (E_RNA) where: Base-Base interactions energy: -194.795 where: short stacking energy: -137.043 Base-Backbone interact. energy: -1.171 local terms energy: -254.715463 where: bonds (distance) C4'-P energy: -80.196 bonds (distance) P-C4' energy: -71.724 flat angles C4'-P-C4' energy: -68.937 flat angles P-C4'-P energy: -55.310 tors. eta vs tors. theta energy: 21.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1582.475950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.475950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.475950 (E_RNA) where: Base-Base interactions energy: -1074.347 where: short stacking energy: -466.082 Base-Backbone interact. energy: -2.508 local terms energy: -505.621258 where: bonds (distance) C4'-P energy: -88.234 bonds (distance) P-C4' energy: -93.511 flat angles C4'-P-C4' energy: -112.581 flat angles P-C4'-P energy: -70.462 tors. eta vs tors. theta energy: -140.833 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: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1521.759083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.759083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.759083 (E_RNA) where: Base-Base interactions energy: -1037.172 where: short stacking energy: -447.760 Base-Backbone interact. energy: -4.242 local terms energy: -480.345208 where: bonds (distance) C4'-P energy: -106.639 bonds (distance) P-C4' energy: -78.247 flat angles C4'-P-C4' energy: -102.714 flat angles P-C4'-P energy: -58.513 tors. eta vs tors. theta energy: -134.232 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: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1389.544410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.544410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.544410 (E_RNA) where: Base-Base interactions energy: -935.976 where: short stacking energy: -403.613 Base-Backbone interact. energy: -1.817 local terms energy: -451.750690 where: bonds (distance) C4'-P energy: -95.443 bonds (distance) P-C4' energy: -75.742 flat angles C4'-P-C4' energy: -102.388 flat angles P-C4'-P energy: -62.382 tors. eta vs tors. theta energy: -115.797 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: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1324.097382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.097382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.097382 (E_RNA) where: Base-Base interactions energy: -889.255 where: short stacking energy: -392.988 Base-Backbone interact. energy: -0.584 local terms energy: -434.257945 where: bonds (distance) C4'-P energy: -71.987 bonds (distance) P-C4' energy: -90.092 flat angles C4'-P-C4' energy: -90.405 flat angles P-C4'-P energy: -68.433 tors. eta vs tors. theta energy: -113.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1015.250288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.250288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.250288 (E_RNA) where: Base-Base interactions energy: -639.950 where: short stacking energy: -315.556 Base-Backbone interact. energy: 0.158 local terms energy: -375.458748 where: bonds (distance) C4'-P energy: -73.297 bonds (distance) P-C4' energy: -79.597 flat angles C4'-P-C4' energy: -95.284 flat angles P-C4'-P energy: -56.750 tors. eta vs tors. theta energy: -70.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -998.567741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.567741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.567741 (E_RNA) where: Base-Base interactions energy: -602.470 where: short stacking energy: -282.506 Base-Backbone interact. energy: -0.373 local terms energy: -395.724941 where: bonds (distance) C4'-P energy: -81.584 bonds (distance) P-C4' energy: -85.591 flat angles C4'-P-C4' energy: -84.347 flat angles P-C4'-P energy: -65.132 tors. eta vs tors. theta energy: -79.071 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: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -976.934343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.934343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.934343 (E_RNA) where: Base-Base interactions energy: -594.357 where: short stacking energy: -273.722 Base-Backbone interact. energy: -1.198 local terms energy: -381.378705 where: bonds (distance) C4'-P energy: -87.107 bonds (distance) P-C4' energy: -86.987 flat angles C4'-P-C4' energy: -87.238 flat angles P-C4'-P energy: -73.905 tors. eta vs tors. theta energy: -46.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -676.795202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.795202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.795202 (E_RNA) where: Base-Base interactions energy: -406.218 where: short stacking energy: -203.509 Base-Backbone interact. energy: 1.828 local terms energy: -272.404783 where: bonds (distance) C4'-P energy: -76.934 bonds (distance) P-C4' energy: -79.417 flat angles C4'-P-C4' energy: -68.977 flat angles P-C4'-P energy: -49.767 tors. eta vs tors. theta energy: 2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -531.905380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.905380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.905380 (E_RNA) where: Base-Base interactions energy: -246.924 where: short stacking energy: -130.745 Base-Backbone interact. energy: 0.468 local terms energy: -285.449380 where: bonds (distance) C4'-P energy: -72.352 bonds (distance) P-C4' energy: -90.577 flat angles C4'-P-C4' energy: -74.075 flat angles P-C4'-P energy: -37.932 tors. eta vs tors. theta energy: -10.514 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: 396 Temperature: 1.350000 Total energy: -457.298676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.298676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.298676 (E_RNA) where: Base-Base interactions energy: -200.175 where: short stacking energy: -111.425 Base-Backbone interact. energy: -2.695 local terms energy: -254.428835 where: bonds (distance) C4'-P energy: -61.840 bonds (distance) P-C4' energy: -92.266 flat angles C4'-P-C4' energy: -70.915 flat angles P-C4'-P energy: -35.796 tors. eta vs tors. theta energy: 6.388 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: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1564.197972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.197972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.197972 (E_RNA) where: Base-Base interactions energy: -1055.516 where: short stacking energy: -472.604 Base-Backbone interact. energy: -2.766 local terms energy: -505.916302 where: bonds (distance) C4'-P energy: -89.157 bonds (distance) P-C4' energy: -97.102 flat angles C4'-P-C4' energy: -110.793 flat angles P-C4'-P energy: -65.935 tors. eta vs tors. theta energy: -142.928 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: 2, replica: 6 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1493.907826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.907826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.907826 (E_RNA) where: Base-Base interactions energy: -1000.894 where: short stacking energy: -414.234 Base-Backbone interact. energy: -0.085 local terms energy: -492.928874 where: bonds (distance) C4'-P energy: -84.809 bonds (distance) P-C4' energy: -109.862 flat angles C4'-P-C4' energy: -95.599 flat angles P-C4'-P energy: -72.300 tors. eta vs tors. theta energy: -130.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1431.086008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.086008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.086008 (E_RNA) where: Base-Base interactions energy: -966.931 where: short stacking energy: -465.861 Base-Backbone interact. energy: 0.540 local terms energy: -464.694911 where: bonds (distance) C4'-P energy: -83.747 bonds (distance) P-C4' energy: -81.039 flat angles C4'-P-C4' energy: -111.151 flat angles P-C4'-P energy: -55.766 tors. eta vs tors. theta energy: -132.992 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: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1344.997822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.997822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.997822 (E_RNA) where: Base-Base interactions energy: -884.052 where: short stacking energy: -399.269 Base-Backbone interact. energy: -0.227 local terms energy: -460.718392 where: bonds (distance) C4'-P energy: -78.253 bonds (distance) P-C4' energy: -95.061 flat angles C4'-P-C4' energy: -110.403 flat angles P-C4'-P energy: -57.528 tors. eta vs tors. theta energy: -119.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1080.103881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.103881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.103881 (E_RNA) where: Base-Base interactions energy: -699.752 where: short stacking energy: -323.457 Base-Backbone interact. energy: -1.194 local terms energy: -379.157717 where: bonds (distance) C4'-P energy: -85.832 bonds (distance) P-C4' energy: -88.233 flat angles C4'-P-C4' energy: -92.288 flat angles P-C4'-P energy: -42.473 tors. eta vs tors. theta energy: -70.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1061.393365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.393365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.393365 (E_RNA) where: Base-Base interactions energy: -663.351 where: short stacking energy: -320.605 Base-Backbone interact. energy: 1.435 local terms energy: -399.476924 where: bonds (distance) C4'-P energy: -91.529 bonds (distance) P-C4' energy: -90.499 flat angles C4'-P-C4' energy: -88.224 flat angles P-C4'-P energy: -55.107 tors. eta vs tors. theta energy: -74.119 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: 7 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -950.784848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.784848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.784848 (E_RNA) where: Base-Base interactions energy: -593.081 where: short stacking energy: -239.051 Base-Backbone interact. energy: 5.679 local terms energy: -363.382771 where: bonds (distance) C4'-P energy: -92.258 bonds (distance) P-C4' energy: -95.982 flat angles C4'-P-C4' energy: -85.684 flat angles P-C4'-P energy: -55.074 tors. eta vs tors. theta energy: -34.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -728.967648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.967648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.967648 (E_RNA) where: Base-Base interactions energy: -416.337 where: short stacking energy: -212.338 Base-Backbone interact. energy: 2.761 local terms energy: -315.392168 where: bonds (distance) C4'-P energy: -84.726 bonds (distance) P-C4' energy: -72.043 flat angles C4'-P-C4' energy: -89.657 flat angles P-C4'-P energy: -41.916 tors. eta vs tors. theta energy: -27.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -504.379386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.379386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.379386 (E_RNA) where: Base-Base interactions energy: -241.792 where: short stacking energy: -148.377 Base-Backbone interact. energy: -1.327 local terms energy: -261.260008 where: bonds (distance) C4'-P energy: -67.638 bonds (distance) P-C4' energy: -80.093 flat angles C4'-P-C4' energy: -69.940 flat angles P-C4'-P energy: -33.309 tors. eta vs tors. theta energy: -10.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -431.963289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.963289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.963289 (E_RNA) where: Base-Base interactions energy: -183.599 where: short stacking energy: -112.931 Base-Backbone interact. energy: -0.957 local terms energy: -247.407373 where: bonds (distance) C4'-P energy: -64.633 bonds (distance) P-C4' energy: -81.839 flat angles C4'-P-C4' energy: -76.792 flat angles P-C4'-P energy: -23.383 tors. eta vs tors. theta energy: -0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1569.749851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.749851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.749851 (E_RNA) where: Base-Base interactions energy: -1055.901 where: short stacking energy: -451.876 Base-Backbone interact. energy: -1.578 local terms energy: -512.270365 where: bonds (distance) C4'-P energy: -105.914 bonds (distance) P-C4' energy: -88.463 flat angles C4'-P-C4' energy: -105.879 flat angles P-C4'-P energy: -65.738 tors. eta vs tors. theta energy: -146.276 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: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1514.655839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.655839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.655839 (E_RNA) where: Base-Base interactions energy: -1029.132 where: short stacking energy: -437.210 Base-Backbone interact. energy: -4.522 local terms energy: -481.001454 where: bonds (distance) C4'-P energy: -92.795 bonds (distance) P-C4' energy: -89.948 flat angles C4'-P-C4' energy: -105.420 flat angles P-C4'-P energy: -60.314 tors. eta vs tors. theta energy: -132.525 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: 3, replica: 4 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1431.441649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.441649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.441649 (E_RNA) where: Base-Base interactions energy: -961.349 where: short stacking energy: -436.449 Base-Backbone interact. energy: -0.977 local terms energy: -469.115181 where: bonds (distance) C4'-P energy: -92.653 bonds (distance) P-C4' energy: -83.579 flat angles C4'-P-C4' energy: -101.014 flat angles P-C4'-P energy: -65.756 tors. eta vs tors. theta energy: -126.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1392.960385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.960385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.960385 (E_RNA) where: Base-Base interactions energy: -935.053 where: short stacking energy: -402.392 Base-Backbone interact. energy: -0.857 local terms energy: -457.050460 where: bonds (distance) C4'-P energy: -82.944 bonds (distance) P-C4' energy: -84.985 flat angles C4'-P-C4' energy: -98.167 flat angles P-C4'-P energy: -58.365 tors. eta vs tors. theta energy: -132.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1077.863368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.863368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.863368 (E_RNA) where: Base-Base interactions energy: -690.587 where: short stacking energy: -327.397 Base-Backbone interact. energy: -2.587 local terms energy: -384.688992 where: bonds (distance) C4'-P energy: -69.071 bonds (distance) P-C4' energy: -93.993 flat angles C4'-P-C4' energy: -83.897 flat angles P-C4'-P energy: -74.716 tors. eta vs tors. theta energy: -63.011 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: 398 Temperature: 1.150000 Total energy: -1000.802475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.802475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.802475 (E_RNA) where: Base-Base interactions energy: -639.304 where: short stacking energy: -296.890 Base-Backbone interact. energy: 0.908 local terms energy: -362.405810 where: bonds (distance) C4'-P energy: -71.864 bonds (distance) P-C4' energy: -93.447 flat angles C4'-P-C4' energy: -70.575 flat angles P-C4'-P energy: -62.753 tors. eta vs tors. theta energy: -63.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -967.075066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.075066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.075066 (E_RNA) where: Base-Base interactions energy: -624.550 where: short stacking energy: -280.925 Base-Backbone interact. energy: -2.934 local terms energy: -339.591232 where: bonds (distance) C4'-P energy: -79.933 bonds (distance) P-C4' energy: -88.647 flat angles C4'-P-C4' energy: -80.942 flat angles P-C4'-P energy: -39.465 tors. eta vs tors. theta energy: -50.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -731.385658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.385658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.385658 (E_RNA) where: Base-Base interactions energy: -425.195 where: short stacking energy: -180.506 Base-Backbone interact. energy: 0.862 local terms energy: -307.052723 where: bonds (distance) C4'-P energy: -88.284 bonds (distance) P-C4' energy: -91.636 flat angles C4'-P-C4' energy: -76.189 flat angles P-C4'-P energy: -52.730 tors. eta vs tors. theta energy: 1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -566.062860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.062860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.062860 (E_RNA) where: Base-Base interactions energy: -267.143 where: short stacking energy: -157.421 Base-Backbone interact. energy: 0.102 local terms energy: -299.021842 where: bonds (distance) C4'-P energy: -74.511 bonds (distance) P-C4' energy: -99.312 flat angles C4'-P-C4' energy: -60.887 flat angles P-C4'-P energy: -44.295 tors. eta vs tors. theta energy: -20.018 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: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -375.117926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.117926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.117926 (E_RNA) where: Base-Base interactions energy: -126.882 where: short stacking energy: -112.833 Base-Backbone interact. energy: 2.059 local terms energy: -250.295115 where: bonds (distance) C4'-P energy: -81.291 bonds (distance) P-C4' energy: -82.076 flat angles C4'-P-C4' energy: -60.290 flat angles P-C4'-P energy: -38.144 tors. eta vs tors. theta energy: 11.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1568.730913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.730913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.730913 (E_RNA) where: Base-Base interactions energy: -1054.708 where: short stacking energy: -447.063 Base-Backbone interact. energy: -3.341 local terms energy: -510.681806 where: bonds (distance) C4'-P energy: -95.748 bonds (distance) P-C4' energy: -100.740 flat angles C4'-P-C4' energy: -102.741 flat angles P-C4'-P energy: -73.498 tors. eta vs tors. theta energy: -137.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1529.866559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.866559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.866559 (E_RNA) where: Base-Base interactions energy: -1039.295 where: short stacking energy: -429.218 Base-Backbone interact. energy: -4.717 local terms energy: -485.853939 where: bonds (distance) C4'-P energy: -89.680 bonds (distance) P-C4' energy: -101.997 flat angles C4'-P-C4' energy: -96.538 flat angles P-C4'-P energy: -68.878 tors. eta vs tors. theta energy: -128.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1350.846029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.846029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.846029 (E_RNA) where: Base-Base interactions energy: -865.623 where: short stacking energy: -400.697 Base-Backbone interact. energy: -2.159 local terms energy: -483.064517 where: bonds (distance) C4'-P energy: -95.192 bonds (distance) P-C4' energy: -87.447 flat angles C4'-P-C4' energy: -112.042 flat angles P-C4'-P energy: -69.385 tors. eta vs tors. theta energy: -118.999 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: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1364.048356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.048356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.048356 (E_RNA) where: Base-Base interactions energy: -917.250 where: short stacking energy: -415.957 Base-Backbone interact. energy: -0.629 local terms energy: -446.169857 where: bonds (distance) C4'-P energy: -86.375 bonds (distance) P-C4' energy: -88.820 flat angles C4'-P-C4' energy: -93.985 flat angles P-C4'-P energy: -49.599 tors. eta vs tors. theta energy: -127.391 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: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1115.549736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.549736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.549736 (E_RNA) where: Base-Base interactions energy: -689.071 where: short stacking energy: -341.452 Base-Backbone interact. energy: 5.856 local terms energy: -432.335211 where: bonds (distance) C4'-P energy: -84.477 bonds (distance) P-C4' energy: -96.300 flat angles C4'-P-C4' energy: -93.043 flat angles P-C4'-P energy: -70.723 tors. eta vs tors. theta energy: -87.792 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: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1058.008925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.008925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.008925 (E_RNA) where: Base-Base interactions energy: -658.840 where: short stacking energy: -280.555 Base-Backbone interact. energy: -1.455 local terms energy: -397.713834 where: bonds (distance) C4'-P energy: -82.175 bonds (distance) P-C4' energy: -91.413 flat angles C4'-P-C4' energy: -78.397 flat angles P-C4'-P energy: -60.924 tors. eta vs tors. theta energy: -84.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -909.073768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.073768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.073768 (E_RNA) where: Base-Base interactions energy: -574.592 where: short stacking energy: -230.708 Base-Backbone interact. energy: -1.651 local terms energy: -332.831738 where: bonds (distance) C4'-P energy: -66.188 bonds (distance) P-C4' energy: -92.198 flat angles C4'-P-C4' energy: -87.075 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -43.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -644.767651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.767651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.767651 (E_RNA) where: Base-Base interactions energy: -344.268 where: short stacking energy: -174.590 Base-Backbone interact. energy: -0.494 local terms energy: -300.005331 where: bonds (distance) C4'-P energy: -82.833 bonds (distance) P-C4' energy: -87.588 flat angles C4'-P-C4' energy: -89.528 flat angles P-C4'-P energy: -31.947 tors. eta vs tors. theta energy: -8.109 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: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -545.945594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.945594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.945594 (E_RNA) where: Base-Base interactions energy: -259.068 where: short stacking energy: -149.520 Base-Backbone interact. energy: -1.557 local terms energy: -285.320399 where: bonds (distance) C4'-P energy: -87.997 bonds (distance) P-C4' energy: -87.576 flat angles C4'-P-C4' energy: -77.148 flat angles P-C4'-P energy: -28.987 tors. eta vs tors. theta energy: -3.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -376.388790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.388790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.388790 (E_RNA) where: Base-Base interactions energy: -138.804 where: short stacking energy: -110.071 Base-Backbone interact. energy: 3.587 local terms energy: -241.170914 where: bonds (distance) C4'-P energy: -70.000 bonds (distance) P-C4' energy: -84.232 flat angles C4'-P-C4' energy: -66.650 flat angles P-C4'-P energy: -35.726 tors. eta vs tors. theta energy: 15.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1547.447596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.447596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.447596 (E_RNA) where: Base-Base interactions energy: -1074.343 where: short stacking energy: -466.043 Base-Backbone interact. energy: -3.735 local terms energy: -469.370175 where: bonds (distance) C4'-P energy: -80.683 bonds (distance) P-C4' energy: -86.136 flat angles C4'-P-C4' energy: -101.498 flat angles P-C4'-P energy: -63.813 tors. eta vs tors. theta energy: -137.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1447.079127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.079127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.079127 (E_RNA) where: Base-Base interactions energy: -995.414 where: short stacking energy: -396.775 Base-Backbone interact. energy: -4.829 local terms energy: -446.835530 where: bonds (distance) C4'-P energy: -95.634 bonds (distance) P-C4' energy: -75.656 flat angles C4'-P-C4' energy: -103.279 flat angles P-C4'-P energy: -64.385 tors. eta vs tors. theta energy: -107.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1411.926768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.926768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.926768 (E_RNA) where: Base-Base interactions energy: -955.863 where: short stacking energy: -416.556 Base-Backbone interact. energy: 1.650 local terms energy: -457.714115 where: bonds (distance) C4'-P energy: -69.185 bonds (distance) P-C4' energy: -93.763 flat angles C4'-P-C4' energy: -104.358 flat angles P-C4'-P energy: -72.367 tors. eta vs tors. theta energy: -118.041 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: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1334.242497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.242497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.242497 (E_RNA) where: Base-Base interactions energy: -892.735 where: short stacking energy: -398.708 Base-Backbone interact. energy: -1.357 local terms energy: -440.151165 where: bonds (distance) C4'-P energy: -80.549 bonds (distance) P-C4' energy: -79.580 flat angles C4'-P-C4' energy: -105.281 flat angles P-C4'-P energy: -67.859 tors. eta vs tors. theta energy: -106.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1089.375393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.375393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.375393 (E_RNA) where: Base-Base interactions energy: -675.826 where: short stacking energy: -356.180 Base-Backbone interact. energy: -1.749 local terms energy: -411.799959 where: bonds (distance) C4'-P energy: -80.651 bonds (distance) P-C4' energy: -86.553 flat angles C4'-P-C4' energy: -102.101 flat angles P-C4'-P energy: -56.614 tors. eta vs tors. theta energy: -85.881 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: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1100.932822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.932822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.932822 (E_RNA) where: Base-Base interactions energy: -680.492 where: short stacking energy: -323.592 Base-Backbone interact. energy: -3.295 local terms energy: -417.145827 where: bonds (distance) C4'-P energy: -80.181 bonds (distance) P-C4' energy: -89.347 flat angles C4'-P-C4' energy: -86.458 flat angles P-C4'-P energy: -67.794 tors. eta vs tors. theta energy: -93.367 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: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -918.143270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.143270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.143270 (E_RNA) where: Base-Base interactions energy: -571.686 where: short stacking energy: -256.716 Base-Backbone interact. energy: -1.302 local terms energy: -345.154876 where: bonds (distance) C4'-P energy: -70.782 bonds (distance) P-C4' energy: -81.623 flat angles C4'-P-C4' energy: -92.742 flat angles P-C4'-P energy: -45.708 tors. eta vs tors. theta energy: -54.299 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: 3 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -702.025106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.025106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.025106 (E_RNA) where: Base-Base interactions energy: -399.155 where: short stacking energy: -208.557 Base-Backbone interact. energy: -1.989 local terms energy: -300.880490 where: bonds (distance) C4'-P energy: -77.225 bonds (distance) P-C4' energy: -71.276 flat angles C4'-P-C4' energy: -78.391 flat angles P-C4'-P energy: -46.441 tors. eta vs tors. theta energy: -27.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -545.034600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.034600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.034600 (E_RNA) where: Base-Base interactions energy: -255.515 where: short stacking energy: -155.729 Base-Backbone interact. energy: 3.157 local terms energy: -292.676433 where: bonds (distance) C4'-P energy: -80.949 bonds (distance) P-C4' energy: -76.633 flat angles C4'-P-C4' energy: -79.045 flat angles P-C4'-P energy: -48.064 tors. eta vs tors. theta energy: -7.985 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: 400 Temperature: 1.350000 Total energy: -388.878727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.878727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.878727 (E_RNA) where: Base-Base interactions energy: -126.809 where: short stacking energy: -118.505 Base-Backbone interact. energy: -0.648 local terms energy: -261.421426 where: bonds (distance) C4'-P energy: -77.768 bonds (distance) P-C4' energy: -83.331 flat angles C4'-P-C4' energy: -59.500 flat angles P-C4'-P energy: -27.141 tors. eta vs tors. theta energy: -13.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1567.675283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.675283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.675283 (E_RNA) where: Base-Base interactions energy: -1076.522 where: short stacking energy: -461.441 Base-Backbone interact. energy: -1.670 local terms energy: -489.483959 where: bonds (distance) C4'-P energy: -89.429 bonds (distance) P-C4' energy: -95.510 flat angles C4'-P-C4' energy: -106.543 flat angles P-C4'-P energy: -64.019 tors. eta vs tors. theta energy: -133.983 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: 6 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1476.685578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.685578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.685578 (E_RNA) where: Base-Base interactions energy: -1017.015 where: short stacking energy: -414.858 Base-Backbone interact. energy: -1.164 local terms energy: -458.506226 where: bonds (distance) C4'-P energy: -92.442 bonds (distance) P-C4' energy: -101.404 flat angles C4'-P-C4' energy: -86.919 flat angles P-C4'-P energy: -65.337 tors. eta vs tors. theta energy: -112.404 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: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1434.022624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.022624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.022624 (E_RNA) where: Base-Base interactions energy: -961.183 where: short stacking energy: -430.216 Base-Backbone interact. energy: -1.601 local terms energy: -471.238937 where: bonds (distance) C4'-P energy: -92.270 bonds (distance) P-C4' energy: -90.021 flat angles C4'-P-C4' energy: -99.354 flat angles P-C4'-P energy: -62.038 tors. eta vs tors. theta energy: -127.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1287.568331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.568331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.568331 (E_RNA) where: Base-Base interactions energy: -851.854 where: short stacking energy: -384.205 Base-Backbone interact. energy: -3.497 local terms energy: -432.217642 where: bonds (distance) C4'-P energy: -85.696 bonds (distance) P-C4' energy: -92.133 flat angles C4'-P-C4' energy: -94.673 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: -104.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1096.597510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.597510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.597510 (E_RNA) where: Base-Base interactions energy: -689.949 where: short stacking energy: -331.603 Base-Backbone interact. energy: -0.982 local terms energy: -405.666708 where: bonds (distance) C4'-P energy: -82.838 bonds (distance) P-C4' energy: -86.769 flat angles C4'-P-C4' energy: -103.361 flat angles P-C4'-P energy: -46.838 tors. eta vs tors. theta energy: -85.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1021.654869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.654869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.654869 (E_RNA) where: Base-Base interactions energy: -639.182 where: short stacking energy: -303.986 Base-Backbone interact. energy: -0.569 local terms energy: -381.904506 where: bonds (distance) C4'-P energy: -81.878 bonds (distance) P-C4' energy: -86.263 flat angles C4'-P-C4' energy: -88.157 flat angles P-C4'-P energy: -58.516 tors. eta vs tors. theta energy: -67.090 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: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -921.775005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.775005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.775005 (E_RNA) where: Base-Base interactions energy: -562.963 where: short stacking energy: -261.856 Base-Backbone interact. energy: 0.526 local terms energy: -359.337249 where: bonds (distance) C4'-P energy: -79.934 bonds (distance) P-C4' energy: -94.462 flat angles C4'-P-C4' energy: -87.573 flat angles P-C4'-P energy: -46.844 tors. eta vs tors. theta energy: -50.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -709.653233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.653233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.653233 (E_RNA) where: Base-Base interactions energy: -412.972 where: short stacking energy: -222.596 Base-Backbone interact. energy: -1.648 local terms energy: -295.033096 where: bonds (distance) C4'-P energy: -87.166 bonds (distance) P-C4' energy: -72.469 flat angles C4'-P-C4' energy: -86.834 flat angles P-C4'-P energy: -24.929 tors. eta vs tors. theta energy: -23.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -553.242123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.242123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.242123 (E_RNA) where: Base-Base interactions energy: -267.223 where: short stacking energy: -156.483 Base-Backbone interact. energy: 1.096 local terms energy: -287.115281 where: bonds (distance) C4'-P energy: -76.112 bonds (distance) P-C4' energy: -77.925 flat angles C4'-P-C4' energy: -76.786 flat angles P-C4'-P energy: -44.758 tors. eta vs tors. theta energy: -11.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -376.470844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.470844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.470844 (E_RNA) where: Base-Base interactions energy: -130.985 where: short stacking energy: -73.833 Base-Backbone interact. energy: -0.221 local terms energy: -245.264863 where: bonds (distance) C4'-P energy: -71.579 bonds (distance) P-C4' energy: -81.158 flat angles C4'-P-C4' energy: -69.786 flat angles P-C4'-P energy: -43.547 tors. eta vs tors. theta energy: 20.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1546.547708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.547708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.547708 (E_RNA) where: Base-Base interactions energy: -1047.891 where: short stacking energy: -457.680 Base-Backbone interact. energy: -0.186 local terms energy: -498.471194 where: bonds (distance) C4'-P energy: -94.864 bonds (distance) P-C4' energy: -90.624 flat angles C4'-P-C4' energy: -104.101 flat angles P-C4'-P energy: -63.148 tors. eta vs tors. theta energy: -145.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1469.178236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.178236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.178236 (E_RNA) where: Base-Base interactions energy: -977.362 where: short stacking energy: -419.117 Base-Backbone interact. energy: -3.786 local terms energy: -488.029872 where: bonds (distance) C4'-P energy: -96.541 bonds (distance) P-C4' energy: -94.399 flat angles C4'-P-C4' energy: -112.288 flat angles P-C4'-P energy: -66.737 tors. eta vs tors. theta energy: -118.065 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: 3, replica: 10 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1414.805089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.805089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.805089 (E_RNA) where: Base-Base interactions energy: -924.652 where: short stacking energy: -424.892 Base-Backbone interact. energy: -2.239 local terms energy: -487.914318 where: bonds (distance) C4'-P energy: -91.151 bonds (distance) P-C4' energy: -89.908 flat angles C4'-P-C4' energy: -102.543 flat angles P-C4'-P energy: -79.073 tors. eta vs tors. theta energy: -125.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1307.229821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.229821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.229821 (E_RNA) where: Base-Base interactions energy: -850.280 where: short stacking energy: -389.187 Base-Backbone interact. energy: -0.566 local terms energy: -456.383892 where: bonds (distance) C4'-P energy: -94.153 bonds (distance) P-C4' energy: -95.408 flat angles C4'-P-C4' energy: -87.027 flat angles P-C4'-P energy: -76.827 tors. eta vs tors. theta energy: -102.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1094.252169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.252169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.252169 (E_RNA) where: Base-Base interactions energy: -674.544 where: short stacking energy: -336.644 Base-Backbone interact. energy: -1.408 local terms energy: -418.300200 where: bonds (distance) C4'-P energy: -87.545 bonds (distance) P-C4' energy: -96.451 flat angles C4'-P-C4' energy: -100.121 flat angles P-C4'-P energy: -60.314 tors. eta vs tors. theta energy: -73.870 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: 402 Temperature: 1.150000 Total energy: -1086.135772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.135772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.135772 (E_RNA) where: Base-Base interactions energy: -676.033 where: short stacking energy: -329.574 Base-Backbone interact. energy: -1.919 local terms energy: -408.183628 where: bonds (distance) C4'-P energy: -87.067 bonds (distance) P-C4' energy: -95.511 flat angles C4'-P-C4' energy: -80.376 flat angles P-C4'-P energy: -63.795 tors. eta vs tors. theta energy: -81.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -911.417635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.417635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.417635 (E_RNA) where: Base-Base interactions energy: -561.637 where: short stacking energy: -277.409 Base-Backbone interact. energy: -0.133 local terms energy: -349.647913 where: bonds (distance) C4'-P energy: -75.034 bonds (distance) P-C4' energy: -82.828 flat angles C4'-P-C4' energy: -76.939 flat angles P-C4'-P energy: -49.074 tors. eta vs tors. theta energy: -65.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -662.913602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.913602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.913602 (E_RNA) where: Base-Base interactions energy: -339.983 where: short stacking energy: -179.702 Base-Backbone interact. energy: -0.811 local terms energy: -322.119517 where: bonds (distance) C4'-P energy: -94.019 bonds (distance) P-C4' energy: -82.038 flat angles C4'-P-C4' energy: -78.060 flat angles P-C4'-P energy: -45.281 tors. eta vs tors. theta energy: -22.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -585.572575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.572575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.572575 (E_RNA) where: Base-Base interactions energy: -272.289 where: short stacking energy: -159.151 Base-Backbone interact. energy: -1.033 local terms energy: -312.250738 where: bonds (distance) C4'-P energy: -88.580 bonds (distance) P-C4' energy: -70.160 flat angles C4'-P-C4' energy: -86.812 flat angles P-C4'-P energy: -43.469 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: 402 Temperature: 1.350000 Total energy: -369.504448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.504448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.504448 (E_RNA) where: Base-Base interactions energy: -107.724 where: short stacking energy: -98.518 Base-Backbone interact. energy: -0.616 local terms energy: -261.164864 where: bonds (distance) C4'-P energy: -80.004 bonds (distance) P-C4' energy: -92.250 flat angles C4'-P-C4' energy: -68.568 flat angles P-C4'-P energy: -39.242 tors. eta vs tors. theta energy: 18.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1539.685413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.685413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.685413 (E_RNA) where: Base-Base interactions energy: -1031.360 where: short stacking energy: -448.265 Base-Backbone interact. energy: -2.975 local terms energy: -505.349526 where: bonds (distance) C4'-P energy: -98.742 bonds (distance) P-C4' energy: -99.503 flat angles C4'-P-C4' energy: -98.869 flat angles P-C4'-P energy: -70.651 tors. eta vs tors. theta energy: -137.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1463.991705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.991705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.991705 (E_RNA) where: Base-Base interactions energy: -994.793 where: short stacking energy: -433.054 Base-Backbone interact. energy: -4.247 local terms energy: -464.951226 where: bonds (distance) C4'-P energy: -87.026 bonds (distance) P-C4' energy: -81.371 flat angles C4'-P-C4' energy: -100.508 flat angles P-C4'-P energy: -66.423 tors. eta vs tors. theta energy: -129.623 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: 3, replica: 10 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1416.574308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.574308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.574308 (E_RNA) where: Base-Base interactions energy: -948.243 where: short stacking energy: -430.650 Base-Backbone interact. energy: -2.136 local terms energy: -466.194837 where: bonds (distance) C4'-P energy: -93.251 bonds (distance) P-C4' energy: -78.605 flat angles C4'-P-C4' energy: -106.541 flat angles P-C4'-P energy: -65.983 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: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1296.194940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.194940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.194940 (E_RNA) where: Base-Base interactions energy: -839.054 where: short stacking energy: -368.722 Base-Backbone interact. energy: -0.292 local terms energy: -456.847974 where: bonds (distance) C4'-P energy: -98.872 bonds (distance) P-C4' energy: -95.787 flat angles C4'-P-C4' energy: -92.477 flat angles P-C4'-P energy: -69.123 tors. eta vs tors. theta energy: -100.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1047.964231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.964231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.964231 (E_RNA) where: Base-Base interactions energy: -657.742 where: short stacking energy: -334.690 Base-Backbone interact. energy: -2.695 local terms energy: -387.527558 where: bonds (distance) C4'-P energy: -70.816 bonds (distance) P-C4' energy: -87.836 flat angles C4'-P-C4' energy: -86.515 flat angles P-C4'-P energy: -57.192 tors. eta vs tors. theta energy: -85.169 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: 6, replica: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1044.767485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.767485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.767485 (E_RNA) where: Base-Base interactions energy: -638.646 where: short stacking energy: -297.041 Base-Backbone interact. energy: -3.197 local terms energy: -402.924712 where: bonds (distance) C4'-P energy: -86.225 bonds (distance) P-C4' energy: -89.629 flat angles C4'-P-C4' energy: -87.525 flat angles P-C4'-P energy: -63.290 tors. eta vs tors. theta energy: -76.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -907.937434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.937434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.937434 (E_RNA) where: Base-Base interactions energy: -556.722 where: short stacking energy: -272.661 Base-Backbone interact. energy: -1.273 local terms energy: -349.942699 where: bonds (distance) C4'-P energy: -89.424 bonds (distance) P-C4' energy: -85.425 flat angles C4'-P-C4' energy: -83.194 flat angles P-C4'-P energy: -32.350 tors. eta vs tors. theta energy: -59.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -640.432220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.432220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.432220 (E_RNA) where: Base-Base interactions energy: -324.498 where: short stacking energy: -170.122 Base-Backbone interact. energy: 2.000 local terms energy: -317.933472 where: bonds (distance) C4'-P energy: -77.873 bonds (distance) P-C4' energy: -86.486 flat angles C4'-P-C4' energy: -75.948 flat angles P-C4'-P energy: -49.835 tors. eta vs tors. theta energy: -27.791 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: 9, replica: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -542.550499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.550499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.550499 (E_RNA) where: Base-Base interactions energy: -281.744 where: short stacking energy: -153.835 Base-Backbone interact. energy: 6.954 local terms energy: -267.760765 where: bonds (distance) C4'-P energy: -86.514 bonds (distance) P-C4' energy: -93.186 flat angles C4'-P-C4' energy: -60.939 flat angles P-C4'-P energy: -34.637 tors. eta vs tors. theta energy: 7.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -370.698419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.698419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.698419 (E_RNA) where: Base-Base interactions energy: -140.063 where: short stacking energy: -104.697 Base-Backbone interact. energy: -2.957 local terms energy: -227.678236 where: bonds (distance) C4'-P energy: -75.844 bonds (distance) P-C4' energy: -69.940 flat angles C4'-P-C4' energy: -66.480 flat angles P-C4'-P energy: -43.806 tors. eta vs tors. theta energy: 28.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1553.137092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.137092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.137092 (E_RNA) where: Base-Base interactions energy: -1050.226 where: short stacking energy: -464.836 Base-Backbone interact. energy: -1.821 local terms energy: -501.089924 where: bonds (distance) C4'-P energy: -93.336 bonds (distance) P-C4' energy: -90.370 flat angles C4'-P-C4' energy: -112.457 flat angles P-C4'-P energy: -70.079 tors. eta vs tors. theta energy: -134.849 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: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1462.288040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.288040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.288040 (E_RNA) where: Base-Base interactions energy: -999.898 where: short stacking energy: -398.827 Base-Backbone interact. energy: -4.364 local terms energy: -458.025865 where: bonds (distance) C4'-P energy: -85.490 bonds (distance) P-C4' energy: -91.075 flat angles C4'-P-C4' energy: -103.710 flat angles P-C4'-P energy: -56.688 tors. eta vs tors. theta energy: -121.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1416.471532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.471532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.471532 (E_RNA) where: Base-Base interactions energy: -941.172 where: short stacking energy: -427.087 Base-Backbone interact. energy: -0.514 local terms energy: -474.785139 where: bonds (distance) C4'-P energy: -86.087 bonds (distance) P-C4' energy: -92.029 flat angles C4'-P-C4' energy: -103.835 flat angles P-C4'-P energy: -67.968 tors. eta vs tors. theta energy: -124.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1318.636870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.636870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.636870 (E_RNA) where: Base-Base interactions energy: -866.405 where: short stacking energy: -404.432 Base-Backbone interact. energy: -0.888 local terms energy: -451.344343 where: bonds (distance) C4'-P energy: -87.391 bonds (distance) P-C4' energy: -100.426 flat angles C4'-P-C4' energy: -98.752 flat angles P-C4'-P energy: -50.875 tors. eta vs tors. theta energy: -113.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1047.597910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.597910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.597910 (E_RNA) where: Base-Base interactions energy: -649.056 where: short stacking energy: -326.296 Base-Backbone interact. energy: -1.189 local terms energy: -397.353142 where: bonds (distance) C4'-P energy: -87.443 bonds (distance) P-C4' energy: -85.566 flat angles C4'-P-C4' energy: -95.656 flat angles P-C4'-P energy: -44.447 tors. eta vs tors. theta energy: -84.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1072.554039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.554039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.554039 (E_RNA) where: Base-Base interactions energy: -693.468 where: short stacking energy: -308.416 Base-Backbone interact. energy: -2.810 local terms energy: -376.275890 where: bonds (distance) C4'-P energy: -65.848 bonds (distance) P-C4' energy: -79.520 flat angles C4'-P-C4' energy: -90.507 flat angles P-C4'-P energy: -63.342 tors. eta vs tors. theta energy: -77.059 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: 7 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -864.688199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.688199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.688199 (E_RNA) where: Base-Base interactions energy: -517.863 where: short stacking energy: -238.275 Base-Backbone interact. energy: -0.200 local terms energy: -346.625122 where: bonds (distance) C4'-P energy: -95.525 bonds (distance) P-C4' energy: -84.771 flat angles C4'-P-C4' energy: -83.314 flat angles P-C4'-P energy: -40.981 tors. eta vs tors. theta energy: -42.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -658.447290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.447290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.447290 (E_RNA) where: Base-Base interactions energy: -345.927 where: short stacking energy: -182.253 Base-Backbone interact. energy: -1.195 local terms energy: -311.325580 where: bonds (distance) C4'-P energy: -68.008 bonds (distance) P-C4' energy: -87.672 flat angles C4'-P-C4' energy: -77.523 flat angles P-C4'-P energy: -58.946 tors. eta vs tors. theta energy: -19.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -560.447578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.447578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.447578 (E_RNA) where: Base-Base interactions energy: -286.236 where: short stacking energy: -190.556 Base-Backbone interact. energy: 1.617 local terms energy: -275.828750 where: bonds (distance) C4'-P energy: -71.418 bonds (distance) P-C4' energy: -73.304 flat angles C4'-P-C4' energy: -78.962 flat angles P-C4'-P energy: -45.866 tors. eta vs tors. theta energy: -6.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -375.707538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.707538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.707538 (E_RNA) where: Base-Base interactions energy: -127.765 where: short stacking energy: -98.085 Base-Backbone interact. energy: -0.374 local terms energy: -247.568011 where: bonds (distance) C4'-P energy: -75.587 bonds (distance) P-C4' energy: -65.624 flat angles C4'-P-C4' energy: -75.078 flat angles P-C4'-P energy: -49.990 tors. eta vs tors. theta energy: 18.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1579.810575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.810575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.810575 (E_RNA) where: Base-Base interactions energy: -1060.063 where: short stacking energy: -469.956 Base-Backbone interact. energy: -1.755 local terms energy: -517.992603 where: bonds (distance) C4'-P energy: -87.654 bonds (distance) P-C4' energy: -108.950 flat angles C4'-P-C4' energy: -107.037 flat angles P-C4'-P energy: -74.723 tors. eta vs tors. theta energy: -139.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1446.664847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.664847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.664847 (E_RNA) where: Base-Base interactions energy: -975.501 where: short stacking energy: -423.239 Base-Backbone interact. energy: -3.876 local terms energy: -467.287661 where: bonds (distance) C4'-P energy: -97.516 bonds (distance) P-C4' energy: -89.023 flat angles C4'-P-C4' energy: -91.468 flat angles P-C4'-P energy: -65.304 tors. eta vs tors. theta energy: -123.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1388.233281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.233281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.233281 (E_RNA) where: Base-Base interactions energy: -903.516 where: short stacking energy: -418.254 Base-Backbone interact. energy: -0.123 local terms energy: -484.594097 where: bonds (distance) C4'-P energy: -93.415 bonds (distance) P-C4' energy: -99.351 flat angles C4'-P-C4' energy: -103.413 flat angles P-C4'-P energy: -63.184 tors. eta vs tors. theta energy: -125.231 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: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1292.193755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.193755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.193755 (E_RNA) where: Base-Base interactions energy: -858.406 where: short stacking energy: -371.573 Base-Backbone interact. energy: 3.569 local terms energy: -437.356047 where: bonds (distance) C4'-P energy: -103.241 bonds (distance) P-C4' energy: -85.121 flat angles C4'-P-C4' energy: -99.457 flat angles P-C4'-P energy: -59.733 tors. eta vs tors. theta energy: -89.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1058.339948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.339948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.339948 (E_RNA) where: Base-Base interactions energy: -671.080 where: short stacking energy: -325.328 Base-Backbone interact. energy: -0.337 local terms energy: -386.923563 where: bonds (distance) C4'-P energy: -73.548 bonds (distance) P-C4' energy: -98.032 flat angles C4'-P-C4' energy: -83.822 flat angles P-C4'-P energy: -54.573 tors. eta vs tors. theta energy: -76.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1032.617322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.617322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.617322 (E_RNA) where: Base-Base interactions energy: -646.647 where: short stacking energy: -296.424 Base-Backbone interact. energy: -0.374 local terms energy: -385.596480 where: bonds (distance) C4'-P energy: -73.842 bonds (distance) P-C4' energy: -91.389 flat angles C4'-P-C4' energy: -82.225 flat angles P-C4'-P energy: -64.481 tors. eta vs tors. theta energy: -73.660 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: 7 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -874.342839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.342839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.342839 (E_RNA) where: Base-Base interactions energy: -534.820 where: short stacking energy: -222.302 Base-Backbone interact. energy: -1.753 local terms energy: -337.769386 where: bonds (distance) C4'-P energy: -71.703 bonds (distance) P-C4' energy: -79.627 flat angles C4'-P-C4' energy: -79.277 flat angles P-C4'-P energy: -69.277 tors. eta vs tors. theta energy: -37.885 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: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -675.190378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.190378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.190378 (E_RNA) where: Base-Base interactions energy: -345.434 where: short stacking energy: -181.330 Base-Backbone interact. energy: 0.846 local terms energy: -330.602550 where: bonds (distance) C4'-P energy: -92.855 bonds (distance) P-C4' energy: -86.850 flat angles C4'-P-C4' energy: -84.544 flat angles P-C4'-P energy: -45.800 tors. eta vs tors. theta energy: -20.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -590.057002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.057002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.057002 (E_RNA) where: Base-Base interactions energy: -301.303 where: short stacking energy: -142.465 Base-Backbone interact. energy: -2.190 local terms energy: -286.563523 where: bonds (distance) C4'-P energy: -80.921 bonds (distance) P-C4' energy: -79.461 flat angles C4'-P-C4' energy: -69.360 flat angles P-C4'-P energy: -50.920 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -394.458095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.458095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.458095 (E_RNA) where: Base-Base interactions energy: -137.547 where: short stacking energy: -109.376 Base-Backbone interact. energy: 0.816 local terms energy: -257.727217 where: bonds (distance) C4'-P energy: -79.329 bonds (distance) P-C4' energy: -79.441 flat angles C4'-P-C4' energy: -70.608 flat angles P-C4'-P energy: -42.050 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: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1578.323486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.323486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.323486 (E_RNA) where: Base-Base interactions energy: -1049.822 where: short stacking energy: -467.461 Base-Backbone interact. energy: -5.499 local terms energy: -523.002332 where: bonds (distance) C4'-P energy: -101.268 bonds (distance) P-C4' energy: -86.691 flat angles C4'-P-C4' energy: -108.514 flat angles P-C4'-P energy: -77.108 tors. eta vs tors. theta energy: -149.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1456.811367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.811367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.811367 (E_RNA) where: Base-Base interactions energy: -981.674 where: short stacking energy: -417.665 Base-Backbone interact. energy: -2.660 local terms energy: -472.477610 where: bonds (distance) C4'-P energy: -93.076 bonds (distance) P-C4' energy: -104.774 flat angles C4'-P-C4' energy: -102.505 flat angles P-C4'-P energy: -56.271 tors. eta vs tors. theta energy: -115.851 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: 10 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1417.367561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.367561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.367561 (E_RNA) where: Base-Base interactions energy: -968.633 where: short stacking energy: -454.800 Base-Backbone interact. energy: 3.178 local terms energy: -451.912471 where: bonds (distance) C4'-P energy: -73.980 bonds (distance) P-C4' energy: -81.451 flat angles C4'-P-C4' energy: -98.170 flat angles P-C4'-P energy: -74.337 tors. eta vs tors. theta energy: -123.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1271.758566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.758566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.758566 (E_RNA) where: Base-Base interactions energy: -832.938 where: short stacking energy: -359.672 Base-Backbone interact. energy: -1.680 local terms energy: -437.140340 where: bonds (distance) C4'-P energy: -82.789 bonds (distance) P-C4' energy: -90.432 flat angles C4'-P-C4' energy: -90.692 flat angles P-C4'-P energy: -62.445 tors. eta vs tors. theta energy: -110.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1084.488242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.488242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.488242 (E_RNA) where: Base-Base interactions energy: -664.532 where: short stacking energy: -310.845 Base-Backbone interact. energy: -1.680 local terms energy: -418.276377 where: bonds (distance) C4'-P energy: -91.272 bonds (distance) P-C4' energy: -92.711 flat angles C4'-P-C4' energy: -96.952 flat angles P-C4'-P energy: -58.709 tors. eta vs tors. theta energy: -78.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1002.064321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.064321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.064321 (E_RNA) where: Base-Base interactions energy: -612.761 where: short stacking energy: -318.531 Base-Backbone interact. energy: -1.053 local terms energy: -388.250358 where: bonds (distance) C4'-P energy: -78.363 bonds (distance) P-C4' energy: -89.009 flat angles C4'-P-C4' energy: -87.727 flat angles P-C4'-P energy: -51.150 tors. eta vs tors. theta energy: -82.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -890.984654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.984654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.984654 (E_RNA) where: Base-Base interactions energy: -529.025 where: short stacking energy: -241.365 Base-Backbone interact. energy: 1.679 local terms energy: -363.639300 where: bonds (distance) C4'-P energy: -84.317 bonds (distance) P-C4' energy: -98.172 flat angles C4'-P-C4' energy: -86.130 flat angles P-C4'-P energy: -51.603 tors. eta vs tors. theta energy: -43.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -664.677048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.677048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.677048 (E_RNA) where: Base-Base interactions energy: -342.466 where: short stacking energy: -188.142 Base-Backbone interact. energy: -1.020 local terms energy: -321.190870 where: bonds (distance) C4'-P energy: -86.232 bonds (distance) P-C4' energy: -82.920 flat angles C4'-P-C4' energy: -76.853 flat angles P-C4'-P energy: -52.536 tors. eta vs tors. theta energy: -22.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -588.213192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.213192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.213192 (E_RNA) where: Base-Base interactions energy: -295.289 where: short stacking energy: -163.520 Base-Backbone interact. energy: -2.139 local terms energy: -290.784741 where: bonds (distance) C4'-P energy: -75.032 bonds (distance) P-C4' energy: -75.221 flat angles C4'-P-C4' energy: -80.971 flat angles P-C4'-P energy: -43.377 tors. eta vs tors. theta energy: -16.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -358.150077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.150077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.150077 (E_RNA) where: Base-Base interactions energy: -111.872 where: short stacking energy: -86.376 Base-Backbone interact. energy: 1.430 local terms energy: -247.707177 where: bonds (distance) C4'-P energy: -80.710 bonds (distance) P-C4' energy: -73.537 flat angles C4'-P-C4' energy: -70.958 flat angles P-C4'-P energy: -46.255 tors. eta vs tors. theta energy: 23.753 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: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1568.740875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.740875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.740875 (E_RNA) where: Base-Base interactions energy: -1041.531 where: short stacking energy: -453.631 Base-Backbone interact. energy: -0.727 local terms energy: -526.482843 where: bonds (distance) C4'-P energy: -106.807 bonds (distance) P-C4' energy: -103.734 flat angles C4'-P-C4' energy: -106.552 flat angles P-C4'-P energy: -70.750 tors. eta vs tors. theta energy: -138.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1468.806578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.806578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.806578 (E_RNA) where: Base-Base interactions energy: -981.020 where: short stacking energy: -426.585 Base-Backbone interact. energy: -2.321 local terms energy: -485.464824 where: bonds (distance) C4'-P energy: -108.184 bonds (distance) P-C4' energy: -88.469 flat angles C4'-P-C4' energy: -99.201 flat angles P-C4'-P energy: -69.577 tors. eta vs tors. theta energy: -120.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1438.858514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.858514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.858514 (E_RNA) where: Base-Base interactions energy: -961.528 where: short stacking energy: -420.276 Base-Backbone interact. energy: -0.376 local terms energy: -476.954335 where: bonds (distance) C4'-P energy: -89.672 bonds (distance) P-C4' energy: -95.816 flat angles C4'-P-C4' energy: -105.980 flat angles P-C4'-P energy: -59.625 tors. eta vs tors. theta energy: -125.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1263.278343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.278343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.278343 (E_RNA) where: Base-Base interactions energy: -826.229 where: short stacking energy: -377.701 Base-Backbone interact. energy: -0.947 local terms energy: -436.102504 where: bonds (distance) C4'-P energy: -90.212 bonds (distance) P-C4' energy: -87.663 flat angles C4'-P-C4' energy: -100.419 flat angles P-C4'-P energy: -54.799 tors. eta vs tors. theta energy: -103.011 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: 5, replica: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1099.369963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.369963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.369963 (E_RNA) where: Base-Base interactions energy: -717.647 where: short stacking energy: -335.119 Base-Backbone interact. energy: -1.332 local terms energy: -380.390312 where: bonds (distance) C4'-P energy: -71.710 bonds (distance) P-C4' energy: -83.791 flat angles C4'-P-C4' energy: -96.393 flat angles P-C4'-P energy: -44.028 tors. eta vs tors. theta energy: -84.468 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: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -912.703020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.703020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.703020 (E_RNA) where: Base-Base interactions energy: -564.655 where: short stacking energy: -269.773 Base-Backbone interact. energy: -3.028 local terms energy: -345.020362 where: bonds (distance) C4'-P energy: -85.139 bonds (distance) P-C4' energy: -79.589 flat angles C4'-P-C4' energy: -91.708 flat angles P-C4'-P energy: -41.376 tors. eta vs tors. theta energy: -47.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -950.249032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.249032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.249032 (E_RNA) where: Base-Base interactions energy: -592.271 where: short stacking energy: -279.651 Base-Backbone interact. energy: 3.734 local terms energy: -361.711555 where: bonds (distance) C4'-P energy: -79.041 bonds (distance) P-C4' energy: -86.387 flat angles C4'-P-C4' energy: -93.947 flat angles P-C4'-P energy: -54.823 tors. eta vs tors. theta energy: -47.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -647.846151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.846151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.846151 (E_RNA) where: Base-Base interactions energy: -347.987 where: short stacking energy: -180.813 Base-Backbone interact. energy: 1.271 local terms energy: -301.129436 where: bonds (distance) C4'-P energy: -81.151 bonds (distance) P-C4' energy: -93.732 flat angles C4'-P-C4' energy: -68.624 flat angles P-C4'-P energy: -44.717 tors. eta vs tors. theta energy: -12.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -633.059994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.059994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.059994 (E_RNA) where: Base-Base interactions energy: -327.812 where: short stacking energy: -174.950 Base-Backbone interact. energy: -3.743 local terms energy: -301.505276 where: bonds (distance) C4'-P energy: -85.650 bonds (distance) P-C4' energy: -72.452 flat angles C4'-P-C4' energy: -81.233 flat angles P-C4'-P energy: -44.469 tors. eta vs tors. theta energy: -17.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -395.638178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.638178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.638178 (E_RNA) where: Base-Base interactions energy: -136.623 where: short stacking energy: -110.221 Base-Backbone interact. energy: 1.748 local terms energy: -260.763596 where: bonds (distance) C4'-P energy: -74.010 bonds (distance) P-C4' energy: -88.768 flat angles C4'-P-C4' energy: -72.027 flat angles P-C4'-P energy: -39.071 tors. eta vs tors. theta energy: 13.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1574.542002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.542002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.542002 (E_RNA) where: Base-Base interactions energy: -1067.436 where: short stacking energy: -463.996 Base-Backbone interact. energy: -3.373 local terms energy: -503.733255 where: bonds (distance) C4'-P energy: -90.124 bonds (distance) P-C4' energy: -85.759 flat angles C4'-P-C4' energy: -105.214 flat angles P-C4'-P energy: -73.732 tors. eta vs tors. theta energy: -148.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1486.401321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.401321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.401321 (E_RNA) where: Base-Base interactions energy: -993.053 where: short stacking energy: -436.681 Base-Backbone interact. energy: -1.523 local terms energy: -491.825266 where: bonds (distance) C4'-P energy: -94.651 bonds (distance) P-C4' energy: -95.310 flat angles C4'-P-C4' energy: -114.569 flat angles P-C4'-P energy: -67.182 tors. eta vs tors. theta energy: -120.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1417.049842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.049842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.049842 (E_RNA) where: Base-Base interactions energy: -937.685 where: short stacking energy: -453.129 Base-Backbone interact. energy: -0.854 local terms energy: -478.511427 where: bonds (distance) C4'-P energy: -88.224 bonds (distance) P-C4' energy: -87.787 flat angles C4'-P-C4' energy: -109.494 flat angles P-C4'-P energy: -56.583 tors. eta vs tors. theta energy: -136.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1261.262621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.262621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.262621 (E_RNA) where: Base-Base interactions energy: -817.314 where: short stacking energy: -381.968 Base-Backbone interact. energy: 2.853 local terms energy: -446.801112 where: bonds (distance) C4'-P energy: -76.768 bonds (distance) P-C4' energy: -92.950 flat angles C4'-P-C4' energy: -92.601 flat angles P-C4'-P energy: -68.419 tors. eta vs tors. theta energy: -116.063 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: 5, replica: 2 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1097.834338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.834338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.834338 (E_RNA) where: Base-Base interactions energy: -689.625 where: short stacking energy: -327.053 Base-Backbone interact. energy: 0.813 local terms energy: -409.022063 where: bonds (distance) C4'-P energy: -94.843 bonds (distance) P-C4' energy: -73.839 flat angles C4'-P-C4' energy: -97.125 flat angles P-C4'-P energy: -57.525 tors. eta vs tors. theta energy: -85.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -922.484028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.484028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.484028 (E_RNA) where: Base-Base interactions energy: -544.970 where: short stacking energy: -262.553 Base-Backbone interact. energy: -1.419 local terms energy: -376.094757 where: bonds (distance) C4'-P energy: -87.270 bonds (distance) P-C4' energy: -83.850 flat angles C4'-P-C4' energy: -100.713 flat angles P-C4'-P energy: -53.140 tors. eta vs tors. theta energy: -51.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -913.426272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.426272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.426272 (E_RNA) where: Base-Base interactions energy: -540.956 where: short stacking energy: -270.520 Base-Backbone interact. energy: -1.092 local terms energy: -371.378333 where: bonds (distance) C4'-P energy: -76.371 bonds (distance) P-C4' energy: -86.449 flat angles C4'-P-C4' energy: -90.286 flat angles P-C4'-P energy: -61.985 tors. eta vs tors. theta energy: -56.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -650.689005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.689005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.689005 (E_RNA) where: Base-Base interactions energy: -341.322 where: short stacking energy: -187.846 Base-Backbone interact. energy: 3.652 local terms energy: -313.018245 where: bonds (distance) C4'-P energy: -85.760 bonds (distance) P-C4' energy: -87.239 flat angles C4'-P-C4' energy: -73.650 flat angles P-C4'-P energy: -43.771 tors. eta vs tors. theta energy: -22.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -631.788867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.788867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.788867 (E_RNA) where: Base-Base interactions energy: -312.453 where: short stacking energy: -156.385 Base-Backbone interact. energy: -1.564 local terms energy: -317.771472 where: bonds (distance) C4'-P energy: -89.724 bonds (distance) P-C4' energy: -91.664 flat angles C4'-P-C4' energy: -81.842 flat angles P-C4'-P energy: -44.164 tors. eta vs tors. theta energy: -10.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -377.322142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.322142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.322142 (E_RNA) where: Base-Base interactions energy: -143.773 where: short stacking energy: -98.663 Base-Backbone interact. energy: 0.496 local terms energy: -234.044645 where: bonds (distance) C4'-P energy: -83.039 bonds (distance) P-C4' energy: -91.668 flat angles C4'-P-C4' energy: -56.206 flat angles P-C4'-P energy: -31.740 tors. eta vs tors. theta energy: 28.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1552.162782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.162782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.162782 (E_RNA) where: Base-Base interactions energy: -1053.993 where: short stacking energy: -438.734 Base-Backbone interact. energy: -3.233 local terms energy: -494.936191 where: bonds (distance) C4'-P energy: -88.162 bonds (distance) P-C4' energy: -97.794 flat angles C4'-P-C4' energy: -108.432 flat angles P-C4'-P energy: -69.205 tors. eta vs tors. theta energy: -131.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1484.267533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.267533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.267533 (E_RNA) where: Base-Base interactions energy: -1009.339 where: short stacking energy: -421.983 Base-Backbone interact. energy: -2.916 local terms energy: -472.012170 where: bonds (distance) C4'-P energy: -94.397 bonds (distance) P-C4' energy: -94.690 flat angles C4'-P-C4' energy: -104.928 flat angles P-C4'-P energy: -57.466 tors. eta vs tors. theta energy: -120.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1405.044344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.044344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.044344 (E_RNA) where: Base-Base interactions energy: -930.392 where: short stacking energy: -435.283 Base-Backbone interact. energy: -1.780 local terms energy: -472.872058 where: bonds (distance) C4'-P energy: -90.794 bonds (distance) P-C4' energy: -86.412 flat angles C4'-P-C4' energy: -101.296 flat angles P-C4'-P energy: -58.305 tors. eta vs tors. theta energy: -136.066 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: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1272.687934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.687934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.687934 (E_RNA) where: Base-Base interactions energy: -840.809 where: short stacking energy: -397.286 Base-Backbone interact. energy: -1.903 local terms energy: -429.976324 where: bonds (distance) C4'-P energy: -79.844 bonds (distance) P-C4' energy: -73.911 flat angles C4'-P-C4' energy: -91.336 flat angles P-C4'-P energy: -59.698 tors. eta vs tors. theta energy: -125.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1098.836636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.836636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.836636 (E_RNA) where: Base-Base interactions energy: -670.754 where: short stacking energy: -326.354 Base-Backbone interact. energy: -1.165 local terms energy: -426.917750 where: bonds (distance) C4'-P energy: -84.792 bonds (distance) P-C4' energy: -89.373 flat angles C4'-P-C4' energy: -98.931 flat angles P-C4'-P energy: -59.050 tors. eta vs tors. theta energy: -94.770 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: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1002.838750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.838750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.838750 (E_RNA) where: Base-Base interactions energy: -630.275 where: short stacking energy: -298.932 Base-Backbone interact. energy: -2.275 local terms energy: -370.288304 where: bonds (distance) C4'-P energy: -76.516 bonds (distance) P-C4' energy: -90.622 flat angles C4'-P-C4' energy: -90.518 flat angles P-C4'-P energy: -61.084 tors. eta vs tors. theta energy: -51.548 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: 7 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -884.719122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.719122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.719122 (E_RNA) where: Base-Base interactions energy: -550.728 where: short stacking energy: -244.888 Base-Backbone interact. energy: 0.019 local terms energy: -334.010289 where: bonds (distance) C4'-P energy: -65.192 bonds (distance) P-C4' energy: -91.684 flat angles C4'-P-C4' energy: -85.968 flat angles P-C4'-P energy: -46.446 tors. eta vs tors. theta energy: -44.720 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: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -679.972154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.972154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.972154 (E_RNA) where: Base-Base interactions energy: -381.084 where: short stacking energy: -212.472 Base-Backbone interact. energy: -3.266 local terms energy: -295.621786 where: bonds (distance) C4'-P energy: -79.375 bonds (distance) P-C4' energy: -88.235 flat angles C4'-P-C4' energy: -65.978 flat angles P-C4'-P energy: -46.296 tors. eta vs tors. theta energy: -15.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -615.580790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.580790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.580790 (E_RNA) where: Base-Base interactions energy: -298.567 where: short stacking energy: -164.969 Base-Backbone interact. energy: -1.350 local terms energy: -315.663915 where: bonds (distance) C4'-P energy: -75.816 bonds (distance) P-C4' energy: -101.662 flat angles C4'-P-C4' energy: -73.299 flat angles P-C4'-P energy: -42.200 tors. eta vs tors. theta energy: -22.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -355.821022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.821022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.821022 (E_RNA) where: Base-Base interactions energy: -91.250 where: short stacking energy: -70.166 Base-Backbone interact. energy: -2.709 local terms energy: -261.861509 where: bonds (distance) C4'-P energy: -72.782 bonds (distance) P-C4' energy: -71.693 flat angles C4'-P-C4' energy: -76.149 flat angles P-C4'-P energy: -56.380 tors. eta vs tors. theta energy: 15.142 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: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1548.540013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.540013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.540013 (E_RNA) where: Base-Base interactions energy: -1041.587 where: short stacking energy: -464.391 Base-Backbone interact. energy: -2.630 local terms energy: -504.323506 where: bonds (distance) C4'-P energy: -89.975 bonds (distance) P-C4' energy: -95.334 flat angles C4'-P-C4' energy: -108.803 flat angles P-C4'-P energy: -75.753 tors. eta vs tors. theta energy: -134.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1460.921627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.921627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.921627 (E_RNA) where: Base-Base interactions energy: -990.143 where: short stacking energy: -416.162 Base-Backbone interact. energy: -3.318 local terms energy: -467.461022 where: bonds (distance) C4'-P energy: -83.696 bonds (distance) P-C4' energy: -102.242 flat angles C4'-P-C4' energy: -105.225 flat angles P-C4'-P energy: -62.313 tors. eta vs tors. theta energy: -113.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1419.602055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.602055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.602055 (E_RNA) where: Base-Base interactions energy: -929.054 where: short stacking energy: -425.061 Base-Backbone interact. energy: -1.889 local terms energy: -488.659187 where: bonds (distance) C4'-P energy: -90.992 bonds (distance) P-C4' energy: -97.142 flat angles C4'-P-C4' energy: -99.335 flat angles P-C4'-P energy: -68.384 tors. eta vs tors. theta energy: -132.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1237.410521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.410521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.410521 (E_RNA) where: Base-Base interactions energy: -790.359 where: short stacking energy: -378.449 Base-Backbone interact. energy: 1.473 local terms energy: -448.524332 where: bonds (distance) C4'-P energy: -84.593 bonds (distance) P-C4' energy: -93.975 flat angles C4'-P-C4' energy: -109.464 flat angles P-C4'-P energy: -64.181 tors. eta vs tors. theta energy: -96.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1143.264739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.264739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.264739 (E_RNA) where: Base-Base interactions energy: -688.708 where: short stacking energy: -322.278 Base-Backbone interact. energy: 2.114 local terms energy: -456.670744 where: bonds (distance) C4'-P energy: -92.071 bonds (distance) P-C4' energy: -99.798 flat angles C4'-P-C4' energy: -105.168 flat angles P-C4'-P energy: -64.324 tors. eta vs tors. theta energy: -95.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -984.217490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.217490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.217490 (E_RNA) where: Base-Base interactions energy: -638.024 where: short stacking energy: -286.051 Base-Backbone interact. energy: -0.525 local terms energy: -345.668563 where: bonds (distance) C4'-P energy: -93.869 bonds (distance) P-C4' energy: -81.840 flat angles C4'-P-C4' energy: -82.793 flat angles P-C4'-P energy: -39.118 tors. eta vs tors. theta energy: -48.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -878.559276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.559276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.559276 (E_RNA) where: Base-Base interactions energy: -516.535 where: short stacking energy: -237.732 Base-Backbone interact. energy: 1.811 local terms energy: -363.834661 where: bonds (distance) C4'-P energy: -73.950 bonds (distance) P-C4' energy: -89.379 flat angles C4'-P-C4' energy: -101.600 flat angles P-C4'-P energy: -58.207 tors. eta vs tors. theta energy: -40.698 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: 410 Temperature: 1.250000 Total energy: -698.512372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.512372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.512372 (E_RNA) where: Base-Base interactions energy: -400.763 where: short stacking energy: -216.084 Base-Backbone interact. energy: -1.607 local terms energy: -296.142755 where: bonds (distance) C4'-P energy: -79.437 bonds (distance) P-C4' energy: -89.160 flat angles C4'-P-C4' energy: -66.136 flat angles P-C4'-P energy: -40.894 tors. eta vs tors. theta energy: -20.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -574.926377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.926377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.926377 (E_RNA) where: Base-Base interactions energy: -271.589 where: short stacking energy: -148.563 Base-Backbone interact. energy: -2.718 local terms energy: -300.620310 where: bonds (distance) C4'-P energy: -78.282 bonds (distance) P-C4' energy: -91.042 flat angles C4'-P-C4' energy: -79.920 flat angles P-C4'-P energy: -40.460 tors. eta vs tors. theta energy: -10.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -395.834485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.834485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.834485 (E_RNA) where: Base-Base interactions energy: -147.622 where: short stacking energy: -104.565 Base-Backbone interact. energy: 1.534 local terms energy: -249.745761 where: bonds (distance) C4'-P energy: -82.866 bonds (distance) P-C4' energy: -74.751 flat angles C4'-P-C4' energy: -73.664 flat angles P-C4'-P energy: -39.408 tors. eta vs tors. theta energy: 20.944 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: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1554.136038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.136038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.136038 (E_RNA) where: Base-Base interactions energy: -1071.208 where: short stacking energy: -449.455 Base-Backbone interact. energy: -0.457 local terms energy: -482.471216 where: bonds (distance) C4'-P energy: -91.415 bonds (distance) P-C4' energy: -80.363 flat angles C4'-P-C4' energy: -107.687 flat angles P-C4'-P energy: -58.412 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: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1486.623921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.623921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.623921 (E_RNA) where: Base-Base interactions energy: -1010.446 where: short stacking energy: -414.515 Base-Backbone interact. energy: -2.754 local terms energy: -473.424297 where: bonds (distance) C4'-P energy: -89.561 bonds (distance) P-C4' energy: -102.546 flat angles C4'-P-C4' energy: -98.311 flat angles P-C4'-P energy: -72.741 tors. eta vs tors. theta energy: -110.267 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: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1429.963839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.963839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.963839 (E_RNA) where: Base-Base interactions energy: -956.241 where: short stacking energy: -436.313 Base-Backbone interact. energy: -2.323 local terms energy: -471.399859 where: bonds (distance) C4'-P energy: -92.475 bonds (distance) P-C4' energy: -96.546 flat angles C4'-P-C4' energy: -89.913 flat angles P-C4'-P energy: -66.489 tors. eta vs tors. theta energy: -125.977 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: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1135.920197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.920197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.920197 (E_RNA) where: Base-Base interactions energy: -703.843 where: short stacking energy: -335.154 Base-Backbone interact. energy: 1.336 local terms energy: -433.413059 where: bonds (distance) C4'-P energy: -89.011 bonds (distance) P-C4' energy: -98.037 flat angles C4'-P-C4' energy: -92.759 flat angles P-C4'-P energy: -52.872 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: 5, replica: 4 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1203.615150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.615150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.615150 (E_RNA) where: Base-Base interactions energy: -786.544 where: short stacking energy: -367.872 Base-Backbone interact. energy: -0.510 local terms energy: -416.561636 where: bonds (distance) C4'-P energy: -84.516 bonds (distance) P-C4' energy: -78.733 flat angles C4'-P-C4' energy: -91.098 flat angles P-C4'-P energy: -58.098 tors. eta vs tors. theta energy: -104.116 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: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1034.531608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.531608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.531608 (E_RNA) where: Base-Base interactions energy: -650.139 where: short stacking energy: -318.523 Base-Backbone interact. energy: -0.704 local terms energy: -383.688695 where: bonds (distance) C4'-P energy: -75.846 bonds (distance) P-C4' energy: -82.982 flat angles C4'-P-C4' energy: -96.235 flat angles P-C4'-P energy: -46.122 tors. eta vs tors. theta energy: -82.502 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: 7 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -865.091996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.091996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.091996 (E_RNA) where: Base-Base interactions energy: -514.376 where: short stacking energy: -224.671 Base-Backbone interact. energy: 0.703 local terms energy: -351.418849 where: bonds (distance) C4'-P energy: -79.966 bonds (distance) P-C4' energy: -88.799 flat angles C4'-P-C4' energy: -83.880 flat angles P-C4'-P energy: -51.817 tors. eta vs tors. theta energy: -46.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -704.136423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.136423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.136423 (E_RNA) where: Base-Base interactions energy: -391.272 where: short stacking energy: -211.187 Base-Backbone interact. energy: -1.647 local terms energy: -311.217588 where: bonds (distance) C4'-P energy: -65.261 bonds (distance) P-C4' energy: -90.200 flat angles C4'-P-C4' energy: -84.309 flat angles P-C4'-P energy: -50.104 tors. eta vs tors. theta energy: -21.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -506.533131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.533131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.533131 (E_RNA) where: Base-Base interactions energy: -190.373 where: short stacking energy: -119.183 Base-Backbone interact. energy: 0.276 local terms energy: -316.436699 where: bonds (distance) C4'-P energy: -92.189 bonds (distance) P-C4' energy: -100.234 flat angles C4'-P-C4' energy: -84.058 flat angles P-C4'-P energy: -41.429 tors. eta vs tors. theta energy: 1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -351.406868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.406868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.406868 (E_RNA) where: Base-Base interactions energy: -89.119 where: short stacking energy: -77.501 Base-Backbone interact. energy: 2.302 local terms energy: -264.589543 where: bonds (distance) C4'-P energy: -87.345 bonds (distance) P-C4' energy: -100.844 flat angles C4'-P-C4' energy: -63.966 flat angles P-C4'-P energy: -43.703 tors. eta vs tors. theta energy: 31.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1564.624454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.624454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.624454 (E_RNA) where: Base-Base interactions energy: -1058.493 where: short stacking energy: -471.694 Base-Backbone interact. energy: -2.686 local terms energy: -503.445552 where: bonds (distance) C4'-P energy: -93.693 bonds (distance) P-C4' energy: -101.708 flat angles C4'-P-C4' energy: -109.040 flat angles P-C4'-P energy: -65.563 tors. eta vs tors. theta energy: -133.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1478.888198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.888198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.888198 (E_RNA) where: Base-Base interactions energy: -1000.600 where: short stacking energy: -421.238 Base-Backbone interact. energy: -5.131 local terms energy: -473.156498 where: bonds (distance) C4'-P energy: -89.398 bonds (distance) P-C4' energy: -91.931 flat angles C4'-P-C4' energy: -99.175 flat angles P-C4'-P energy: -74.034 tors. eta vs tors. theta energy: -118.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1379.266415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.266415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.266415 (E_RNA) where: Base-Base interactions energy: -910.328 where: short stacking energy: -406.966 Base-Backbone interact. energy: -3.034 local terms energy: -465.904775 where: bonds (distance) C4'-P energy: -96.614 bonds (distance) P-C4' energy: -90.101 flat angles C4'-P-C4' energy: -90.883 flat angles P-C4'-P energy: -64.230 tors. eta vs tors. theta energy: -124.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1167.820147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.820147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.820147 (E_RNA) where: Base-Base interactions energy: -736.626 where: short stacking energy: -355.654 Base-Backbone interact. energy: 0.520 local terms energy: -431.714801 where: bonds (distance) C4'-P energy: -80.515 bonds (distance) P-C4' energy: -91.529 flat angles C4'-P-C4' energy: -98.303 flat angles P-C4'-P energy: -59.861 tors. eta vs tors. theta energy: -101.506 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: 412 Temperature: 1.100000 Total energy: -1188.930106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.930106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.930106 (E_RNA) where: Base-Base interactions energy: -769.177 where: short stacking energy: -367.476 Base-Backbone interact. energy: -0.055 local terms energy: -419.698404 where: bonds (distance) C4'-P energy: -88.888 bonds (distance) P-C4' energy: -91.706 flat angles C4'-P-C4' energy: -89.316 flat angles P-C4'-P energy: -51.809 tors. eta vs tors. theta energy: -97.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1056.933584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.933584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.933584 (E_RNA) where: Base-Base interactions energy: -658.064 where: short stacking energy: -303.713 Base-Backbone interact. energy: -0.613 local terms energy: -398.256823 where: bonds (distance) C4'-P energy: -87.102 bonds (distance) P-C4' energy: -84.497 flat angles C4'-P-C4' energy: -98.822 flat angles P-C4'-P energy: -66.227 tors. eta vs tors. theta energy: -61.610 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: 7 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -852.387508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.387508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.387508 (E_RNA) where: Base-Base interactions energy: -528.731 where: short stacking energy: -241.582 Base-Backbone interact. energy: 1.248 local terms energy: -324.905230 where: bonds (distance) C4'-P energy: -79.107 bonds (distance) P-C4' energy: -79.709 flat angles C4'-P-C4' energy: -83.636 flat angles P-C4'-P energy: -39.811 tors. eta vs tors. theta energy: -42.642 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: 412 Temperature: 1.250000 Total energy: -689.120605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.120605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.120605 (E_RNA) where: Base-Base interactions energy: -390.588 where: short stacking energy: -190.931 Base-Backbone interact. energy: -0.516 local terms energy: -298.016095 where: bonds (distance) C4'-P energy: -60.465 bonds (distance) P-C4' energy: -96.383 flat angles C4'-P-C4' energy: -87.874 flat angles P-C4'-P energy: -48.692 tors. eta vs tors. theta energy: -4.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -510.893801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.893801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.893801 (E_RNA) where: Base-Base interactions energy: -254.232 where: short stacking energy: -149.745 Base-Backbone interact. energy: -0.044 local terms energy: -256.617942 where: bonds (distance) C4'-P energy: -70.558 bonds (distance) P-C4' energy: -81.757 flat angles C4'-P-C4' energy: -49.360 flat angles P-C4'-P energy: -49.107 tors. eta vs tors. theta energy: -5.836 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: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -403.677551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.677551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.677551 (E_RNA) where: Base-Base interactions energy: -180.962 where: short stacking energy: -144.713 Base-Backbone interact. energy: -0.878 local terms energy: -221.838178 where: bonds (distance) C4'-P energy: -45.701 bonds (distance) P-C4' energy: -68.952 flat angles C4'-P-C4' energy: -59.772 flat angles P-C4'-P energy: -45.875 tors. eta vs tors. theta energy: -1.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1567.740512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.740512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.740512 (E_RNA) where: Base-Base interactions energy: -1049.959 where: short stacking energy: -447.983 Base-Backbone interact. energy: -0.122 local terms energy: -517.660020 where: bonds (distance) C4'-P energy: -98.545 bonds (distance) P-C4' energy: -95.471 flat angles C4'-P-C4' energy: -115.409 flat angles P-C4'-P energy: -73.627 tors. eta vs tors. theta energy: -134.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1504.441978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.441978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.441978 (E_RNA) where: Base-Base interactions energy: -1020.236 where: short stacking energy: -420.534 Base-Backbone interact. energy: -1.562 local terms energy: -482.644311 where: bonds (distance) C4'-P energy: -97.268 bonds (distance) P-C4' energy: -99.028 flat angles C4'-P-C4' energy: -97.288 flat angles P-C4'-P energy: -67.894 tors. eta vs tors. theta energy: -121.167 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: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1408.376843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.376843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.376843 (E_RNA) where: Base-Base interactions energy: -943.985 where: short stacking energy: -452.030 Base-Backbone interact. energy: -0.952 local terms energy: -463.439812 where: bonds (distance) C4'-P energy: -85.652 bonds (distance) P-C4' energy: -85.344 flat angles C4'-P-C4' energy: -102.338 flat angles P-C4'-P energy: -61.516 tors. eta vs tors. theta energy: -128.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1279.833565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.833565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.833565 (E_RNA) where: Base-Base interactions energy: -809.606 where: short stacking energy: -398.468 Base-Backbone interact. energy: -0.187 local terms energy: -470.041175 where: bonds (distance) C4'-P energy: -88.854 bonds (distance) P-C4' energy: -95.335 flat angles C4'-P-C4' energy: -98.061 flat angles P-C4'-P energy: -63.692 tors. eta vs tors. theta energy: -124.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1156.872953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.872953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.872953 (E_RNA) where: Base-Base interactions energy: -741.407 where: short stacking energy: -365.203 Base-Backbone interact. energy: -1.473 local terms energy: -413.993315 where: bonds (distance) C4'-P energy: -74.438 bonds (distance) P-C4' energy: -90.311 flat angles C4'-P-C4' energy: -96.881 flat angles P-C4'-P energy: -55.219 tors. eta vs tors. theta energy: -97.143 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: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1043.580055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.580055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.580055 (E_RNA) where: Base-Base interactions energy: -648.942 where: short stacking energy: -324.924 Base-Backbone interact. energy: 0.178 local terms energy: -394.816709 where: bonds (distance) C4'-P energy: -87.761 bonds (distance) P-C4' energy: -90.138 flat angles C4'-P-C4' energy: -84.316 flat angles P-C4'-P energy: -65.596 tors. eta vs tors. theta energy: -67.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -873.998789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.998789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.998789 (E_RNA) where: Base-Base interactions energy: -523.334 where: short stacking energy: -256.986 Base-Backbone interact. energy: -1.435 local terms energy: -349.229565 where: bonds (distance) C4'-P energy: -70.347 bonds (distance) P-C4' energy: -90.717 flat angles C4'-P-C4' energy: -86.502 flat angles P-C4'-P energy: -48.222 tors. eta vs tors. theta energy: -53.442 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: 8, replica: 5 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -697.374434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.374434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.374434 (E_RNA) where: Base-Base interactions energy: -388.936 where: short stacking energy: -187.414 Base-Backbone interact. energy: 0.300 local terms energy: -308.738439 where: bonds (distance) C4'-P energy: -57.379 bonds (distance) P-C4' energy: -94.765 flat angles C4'-P-C4' energy: -84.426 flat angles P-C4'-P energy: -47.463 tors. eta vs tors. theta energy: -24.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -541.992702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.992702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.992702 (E_RNA) where: Base-Base interactions energy: -257.958 where: short stacking energy: -153.515 Base-Backbone interact. energy: -2.401 local terms energy: -281.633606 where: bonds (distance) C4'-P energy: -80.512 bonds (distance) P-C4' energy: -86.022 flat angles C4'-P-C4' energy: -73.659 flat angles P-C4'-P energy: -49.522 tors. eta vs tors. theta energy: 8.082 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: 413 Temperature: 1.350000 Total energy: -397.946313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.946313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.946313 (E_RNA) where: Base-Base interactions energy: -167.943 where: short stacking energy: -129.697 Base-Backbone interact. energy: -2.465 local terms energy: -227.538986 where: bonds (distance) C4'-P energy: -64.756 bonds (distance) P-C4' energy: -65.904 flat angles C4'-P-C4' energy: -61.157 flat angles P-C4'-P energy: -38.080 tors. eta vs tors. theta energy: 2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1542.995780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.995780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.995780 (E_RNA) where: Base-Base interactions energy: -1025.725 where: short stacking energy: -448.930 Base-Backbone interact. energy: -3.377 local terms energy: -513.894222 where: bonds (distance) C4'-P energy: -90.916 bonds (distance) P-C4' energy: -101.646 flat angles C4'-P-C4' energy: -113.365 flat angles P-C4'-P energy: -71.098 tors. eta vs tors. theta energy: -136.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1510.508691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.508691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.508691 (E_RNA) where: Base-Base interactions energy: -1017.041 where: short stacking energy: -431.108 Base-Backbone interact. energy: -4.698 local terms energy: -488.769209 where: bonds (distance) C4'-P energy: -96.680 bonds (distance) P-C4' energy: -100.923 flat angles C4'-P-C4' energy: -110.587 flat angles P-C4'-P energy: -71.892 tors. eta vs tors. theta energy: -108.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1370.009179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.009179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.009179 (E_RNA) where: Base-Base interactions energy: -905.328 where: short stacking energy: -399.205 Base-Backbone interact. energy: 0.402 local terms energy: -465.083231 where: bonds (distance) C4'-P energy: -104.908 bonds (distance) P-C4' energy: -82.188 flat angles C4'-P-C4' energy: -100.694 flat angles P-C4'-P energy: -59.831 tors. eta vs tors. theta energy: -117.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1313.347271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.347271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.347271 (E_RNA) where: Base-Base interactions energy: -863.338 where: short stacking energy: -382.303 Base-Backbone interact. energy: -1.275 local terms energy: -448.733977 where: bonds (distance) C4'-P energy: -91.931 bonds (distance) P-C4' energy: -88.669 flat angles C4'-P-C4' energy: -103.527 flat angles P-C4'-P energy: -65.729 tors. eta vs tors. theta energy: -98.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1105.418578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.418578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.418578 (E_RNA) where: Base-Base interactions energy: -708.784 where: short stacking energy: -333.625 Base-Backbone interact. energy: -0.133 local terms energy: -396.501506 where: bonds (distance) C4'-P energy: -72.689 bonds (distance) P-C4' energy: -88.920 flat angles C4'-P-C4' energy: -101.854 flat angles P-C4'-P energy: -60.646 tors. eta vs tors. theta energy: -72.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1074.863906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.863906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.863906 (E_RNA) where: Base-Base interactions energy: -682.804 where: short stacking energy: -312.037 Base-Backbone interact. energy: 0.485 local terms energy: -392.544451 where: bonds (distance) C4'-P energy: -80.798 bonds (distance) P-C4' energy: -97.818 flat angles C4'-P-C4' energy: -85.185 flat angles P-C4'-P energy: -52.993 tors. eta vs tors. theta energy: -75.752 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: 7, replica: 7 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -920.441985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.441985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.441985 (E_RNA) where: Base-Base interactions energy: -553.652 where: short stacking energy: -267.370 Base-Backbone interact. energy: -1.608 local terms energy: -365.181440 where: bonds (distance) C4'-P energy: -88.347 bonds (distance) P-C4' energy: -95.555 flat angles C4'-P-C4' energy: -73.787 flat angles P-C4'-P energy: -59.409 tors. eta vs tors. theta energy: -48.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -666.122403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.122403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.122403 (E_RNA) where: Base-Base interactions energy: -362.178 where: short stacking energy: -195.785 Base-Backbone interact. energy: -2.727 local terms energy: -301.217282 where: bonds (distance) C4'-P energy: -75.726 bonds (distance) P-C4' energy: -84.195 flat angles C4'-P-C4' energy: -69.915 flat angles P-C4'-P energy: -41.725 tors. eta vs tors. theta energy: -29.656 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: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -558.693633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.693633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.693633 (E_RNA) where: Base-Base interactions energy: -242.410 where: short stacking energy: -147.210 Base-Backbone interact. energy: -2.294 local terms energy: -313.989888 where: bonds (distance) C4'-P energy: -89.811 bonds (distance) P-C4' energy: -87.084 flat angles C4'-P-C4' energy: -85.044 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: -7.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -372.288745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.288745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.288745 (E_RNA) where: Base-Base interactions energy: -138.592 where: short stacking energy: -103.965 Base-Backbone interact. energy: -1.051 local terms energy: -232.646249 where: bonds (distance) C4'-P energy: -79.050 bonds (distance) P-C4' energy: -86.190 flat angles C4'-P-C4' energy: -62.644 flat angles P-C4'-P energy: -31.557 tors. eta vs tors. theta energy: 26.794 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: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1559.410453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.410453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.410453 (E_RNA) where: Base-Base interactions energy: -1031.398 where: short stacking energy: -460.995 Base-Backbone interact. energy: -2.809 local terms energy: -525.203569 where: bonds (distance) C4'-P energy: -104.338 bonds (distance) P-C4' energy: -104.214 flat angles C4'-P-C4' energy: -108.136 flat angles P-C4'-P energy: -71.002 tors. eta vs tors. theta energy: -137.513 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: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1475.725949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.725949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.725949 (E_RNA) where: Base-Base interactions energy: -985.995 where: short stacking energy: -408.883 Base-Backbone interact. energy: 1.278 local terms energy: -491.009368 where: bonds (distance) C4'-P energy: -89.441 bonds (distance) P-C4' energy: -94.992 flat angles C4'-P-C4' energy: -106.829 flat angles P-C4'-P energy: -75.161 tors. eta vs tors. theta energy: -124.586 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: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1386.976148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.976148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.976148 (E_RNA) where: Base-Base interactions energy: -915.056 where: short stacking energy: -405.119 Base-Backbone interact. energy: -2.623 local terms energy: -469.297249 where: bonds (distance) C4'-P energy: -80.525 bonds (distance) P-C4' energy: -93.904 flat angles C4'-P-C4' energy: -109.696 flat angles P-C4'-P energy: -67.330 tors. eta vs tors. theta energy: -117.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1297.786537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.786537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.786537 (E_RNA) where: Base-Base interactions energy: -870.782 where: short stacking energy: -395.902 Base-Backbone interact. energy: -1.704 local terms energy: -425.300291 where: bonds (distance) C4'-P energy: -95.694 bonds (distance) P-C4' energy: -70.639 flat angles C4'-P-C4' energy: -87.210 flat angles P-C4'-P energy: -61.637 tors. eta vs tors. theta energy: -110.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1144.046894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.046894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.046894 (E_RNA) where: Base-Base interactions energy: -730.320 where: short stacking energy: -341.398 Base-Backbone interact. energy: 1.029 local terms energy: -414.755977 where: bonds (distance) C4'-P energy: -85.083 bonds (distance) P-C4' energy: -85.860 flat angles C4'-P-C4' energy: -84.562 flat angles P-C4'-P energy: -57.938 tors. eta vs tors. theta energy: -101.312 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: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1026.129636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.129636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.129636 (E_RNA) where: Base-Base interactions energy: -646.897 where: short stacking energy: -317.783 Base-Backbone interact. energy: -2.275 local terms energy: -376.957892 where: bonds (distance) C4'-P energy: -78.082 bonds (distance) P-C4' energy: -81.609 flat angles C4'-P-C4' energy: -93.105 flat angles P-C4'-P energy: -54.138 tors. eta vs tors. theta energy: -70.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -911.506916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.506916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.506916 (E_RNA) where: Base-Base interactions energy: -566.807 where: short stacking energy: -245.920 Base-Backbone interact. energy: -1.527 local terms energy: -343.173351 where: bonds (distance) C4'-P energy: -67.018 bonds (distance) P-C4' energy: -84.896 flat angles C4'-P-C4' energy: -81.408 flat angles P-C4'-P energy: -56.968 tors. eta vs tors. theta energy: -52.883 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: 415 Temperature: 1.250000 Total energy: -692.204201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.204201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.204201 (E_RNA) where: Base-Base interactions energy: -391.093 where: short stacking energy: -206.471 Base-Backbone interact. energy: 1.459 local terms energy: -302.570240 where: bonds (distance) C4'-P energy: -80.355 bonds (distance) P-C4' energy: -82.607 flat angles C4'-P-C4' energy: -82.994 flat angles P-C4'-P energy: -47.434 tors. eta vs tors. theta energy: -9.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -528.311073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.311073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.311073 (E_RNA) where: Base-Base interactions energy: -266.727 where: short stacking energy: -157.880 Base-Backbone interact. energy: -0.296 local terms energy: -261.288297 where: bonds (distance) C4'-P energy: -76.063 bonds (distance) P-C4' energy: -86.763 flat angles C4'-P-C4' energy: -60.149 flat angles P-C4'-P energy: -38.199 tors. eta vs tors. theta energy: -0.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -367.076020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.076020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.076020 (E_RNA) where: Base-Base interactions energy: -125.641 where: short stacking energy: -94.991 Base-Backbone interact. energy: 0.622 local terms energy: -242.056436 where: bonds (distance) C4'-P energy: -74.202 bonds (distance) P-C4' energy: -74.534 flat angles C4'-P-C4' energy: -60.326 flat angles P-C4'-P energy: -53.052 tors. eta vs tors. theta energy: 20.056 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: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1570.775290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.775290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.775290 (E_RNA) where: Base-Base interactions energy: -1055.011 where: short stacking energy: -458.309 Base-Backbone interact. energy: -2.591 local terms energy: -513.174153 where: bonds (distance) C4'-P energy: -94.217 bonds (distance) P-C4' energy: -99.659 flat angles C4'-P-C4' energy: -111.303 flat angles P-C4'-P energy: -69.074 tors. eta vs tors. theta energy: -138.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1467.600388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.600388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.600388 (E_RNA) where: Base-Base interactions energy: -1010.457 where: short stacking energy: -398.452 Base-Backbone interact. energy: -2.491 local terms energy: -454.652545 where: bonds (distance) C4'-P energy: -94.110 bonds (distance) P-C4' energy: -88.280 flat angles C4'-P-C4' energy: -110.206 flat angles P-C4'-P energy: -53.636 tors. eta vs tors. theta energy: -108.421 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: 4 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1334.598066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.598066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.598066 (E_RNA) where: Base-Base interactions energy: -902.258 where: short stacking energy: -401.802 Base-Backbone interact. energy: -2.063 local terms energy: -430.276524 where: bonds (distance) C4'-P energy: -82.290 bonds (distance) P-C4' energy: -89.591 flat angles C4'-P-C4' energy: -84.457 flat angles P-C4'-P energy: -65.239 tors. eta vs tors. theta energy: -108.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1362.427051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.427051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.427051 (E_RNA) where: Base-Base interactions energy: -887.203 where: short stacking energy: -417.513 Base-Backbone interact. energy: -2.239 local terms energy: -472.985483 where: bonds (distance) C4'-P energy: -85.089 bonds (distance) P-C4' energy: -97.724 flat angles C4'-P-C4' energy: -99.638 flat angles P-C4'-P energy: -73.420 tors. eta vs tors. theta energy: -117.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1188.510471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.510471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.510471 (E_RNA) where: Base-Base interactions energy: -783.309 where: short stacking energy: -373.016 Base-Backbone interact. energy: -0.167 local terms energy: -405.033888 where: bonds (distance) C4'-P energy: -83.883 bonds (distance) P-C4' energy: -81.378 flat angles C4'-P-C4' energy: -84.392 flat angles P-C4'-P energy: -62.800 tors. eta vs tors. theta energy: -92.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1002.481157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.481157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.481157 (E_RNA) where: Base-Base interactions energy: -646.763 where: short stacking energy: -302.499 Base-Backbone interact. energy: 5.204 local terms energy: -360.922820 where: bonds (distance) C4'-P energy: -83.733 bonds (distance) P-C4' energy: -75.825 flat angles C4'-P-C4' energy: -78.772 flat angles P-C4'-P energy: -56.477 tors. eta vs tors. theta energy: -66.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -866.440656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.440656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.440656 (E_RNA) where: Base-Base interactions energy: -513.593 where: short stacking energy: -215.167 Base-Backbone interact. energy: -4.415 local terms energy: -348.432506 where: bonds (distance) C4'-P energy: -87.903 bonds (distance) P-C4' energy: -98.484 flat angles C4'-P-C4' energy: -68.459 flat angles P-C4'-P energy: -56.649 tors. eta vs tors. theta energy: -36.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -680.432457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.432457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.432457 (E_RNA) where: Base-Base interactions energy: -382.366 where: short stacking energy: -196.654 Base-Backbone interact. energy: -3.528 local terms energy: -294.538260 where: bonds (distance) C4'-P energy: -82.256 bonds (distance) P-C4' energy: -76.349 flat angles C4'-P-C4' energy: -72.275 flat angles P-C4'-P energy: -36.819 tors. eta vs tors. theta energy: -26.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -516.150617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.150617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.150617 (E_RNA) where: Base-Base interactions energy: -234.229 where: short stacking energy: -134.283 Base-Backbone interact. energy: -2.189 local terms energy: -279.732948 where: bonds (distance) C4'-P energy: -80.997 bonds (distance) P-C4' energy: -91.269 flat angles C4'-P-C4' energy: -59.753 flat angles P-C4'-P energy: -57.011 tors. eta vs tors. theta energy: 9.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -429.264731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.264731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.264731 (E_RNA) where: Base-Base interactions energy: -175.639 where: short stacking energy: -137.789 Base-Backbone interact. energy: 1.730 local terms energy: -255.355693 where: bonds (distance) C4'-P energy: -67.913 bonds (distance) P-C4' energy: -86.665 flat angles C4'-P-C4' energy: -77.052 flat angles P-C4'-P energy: -16.931 tors. eta vs tors. theta energy: -6.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1558.195359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.195359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.195359 (E_RNA) where: Base-Base interactions energy: -1048.442 where: short stacking energy: -486.889 Base-Backbone interact. energy: -1.801 local terms energy: -507.952091 where: bonds (distance) C4'-P energy: -94.043 bonds (distance) P-C4' energy: -96.499 flat angles C4'-P-C4' energy: -102.467 flat angles P-C4'-P energy: -74.563 tors. eta vs tors. theta energy: -140.380 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: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1455.108028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.108028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.108028 (E_RNA) where: Base-Base interactions energy: -987.580 where: short stacking energy: -391.242 Base-Backbone interact. energy: 0.819 local terms energy: -468.347163 where: bonds (distance) C4'-P energy: -91.424 bonds (distance) P-C4' energy: -93.577 flat angles C4'-P-C4' energy: -102.242 flat angles P-C4'-P energy: -62.318 tors. eta vs tors. theta energy: -118.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1301.842813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.842813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.842813 (E_RNA) where: Base-Base interactions energy: -867.765 where: short stacking energy: -393.403 Base-Backbone interact. energy: -1.476 local terms energy: -432.601798 where: bonds (distance) C4'-P energy: -68.668 bonds (distance) P-C4' energy: -98.993 flat angles C4'-P-C4' energy: -110.407 flat angles P-C4'-P energy: -56.630 tors. eta vs tors. theta energy: -97.904 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: 10 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1369.414878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.414878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.414878 (E_RNA) where: Base-Base interactions energy: -950.470 where: short stacking energy: -422.379 Base-Backbone interact. energy: -1.324 local terms energy: -417.620501 where: bonds (distance) C4'-P energy: -78.120 bonds (distance) P-C4' energy: -68.630 flat angles C4'-P-C4' energy: -90.413 flat angles P-C4'-P energy: -57.284 tors. eta vs tors. theta energy: -123.174 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: 2 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1198.602561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.602561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.602561 (E_RNA) where: Base-Base interactions energy: -774.428 where: short stacking energy: -339.553 Base-Backbone interact. energy: -3.484 local terms energy: -420.689919 where: bonds (distance) C4'-P energy: -81.607 bonds (distance) P-C4' energy: -92.107 flat angles C4'-P-C4' energy: -95.816 flat angles P-C4'-P energy: -63.163 tors. eta vs tors. theta energy: -87.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1000.205693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.205693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.205693 (E_RNA) where: Base-Base interactions energy: -626.420 where: short stacking energy: -269.538 Base-Backbone interact. energy: 0.200 local terms energy: -373.986116 where: bonds (distance) C4'-P energy: -86.240 bonds (distance) P-C4' energy: -85.731 flat angles C4'-P-C4' energy: -79.934 flat angles P-C4'-P energy: -54.798 tors. eta vs tors. theta energy: -67.283 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: 7, replica: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -879.477678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.477678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.477678 (E_RNA) where: Base-Base interactions energy: -541.294 where: short stacking energy: -236.824 Base-Backbone interact. energy: 1.931 local terms energy: -340.113915 where: bonds (distance) C4'-P energy: -83.397 bonds (distance) P-C4' energy: -82.116 flat angles C4'-P-C4' energy: -90.576 flat angles P-C4'-P energy: -55.787 tors. eta vs tors. theta energy: -28.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -709.617210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.617210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.617210 (E_RNA) where: Base-Base interactions energy: -395.714 where: short stacking energy: -215.931 Base-Backbone interact. energy: 2.729 local terms energy: -316.632237 where: bonds (distance) C4'-P energy: -77.529 bonds (distance) P-C4' energy: -82.398 flat angles C4'-P-C4' energy: -70.767 flat angles P-C4'-P energy: -49.702 tors. eta vs tors. theta energy: -36.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -565.035692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.035692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.035692 (E_RNA) where: Base-Base interactions energy: -283.591 where: short stacking energy: -169.587 Base-Backbone interact. energy: 1.696 local terms energy: -283.140477 where: bonds (distance) C4'-P energy: -77.711 bonds (distance) P-C4' energy: -87.804 flat angles C4'-P-C4' energy: -63.795 flat angles P-C4'-P energy: -40.155 tors. eta vs tors. theta energy: -13.675 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: 10, replica: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -415.247122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.247122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.247122 (E_RNA) where: Base-Base interactions energy: -169.367 where: short stacking energy: -135.444 Base-Backbone interact. energy: -1.276 local terms energy: -244.603702 where: bonds (distance) C4'-P energy: -66.676 bonds (distance) P-C4' energy: -71.211 flat angles C4'-P-C4' energy: -57.534 flat angles P-C4'-P energy: -42.320 tors. eta vs tors. theta energy: -6.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1542.548375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.548375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.548375 (E_RNA) where: Base-Base interactions energy: -1035.237 where: short stacking energy: -461.927 Base-Backbone interact. energy: -0.840 local terms energy: -506.471404 where: bonds (distance) C4'-P energy: -96.116 bonds (distance) P-C4' energy: -88.852 flat angles C4'-P-C4' energy: -110.656 flat angles P-C4'-P energy: -69.889 tors. eta vs tors. theta energy: -140.959 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: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1480.574391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.574391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.574391 (E_RNA) where: Base-Base interactions energy: -1002.285 where: short stacking energy: -428.614 Base-Backbone interact. energy: -2.923 local terms energy: -475.366640 where: bonds (distance) C4'-P energy: -85.566 bonds (distance) P-C4' energy: -83.041 flat angles C4'-P-C4' energy: -114.547 flat angles P-C4'-P energy: -77.408 tors. eta vs tors. theta energy: -114.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1394.624043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.624043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.624043 (E_RNA) where: Base-Base interactions energy: -922.866 where: short stacking energy: -417.144 Base-Backbone interact. energy: -2.266 local terms energy: -469.492949 where: bonds (distance) C4'-P energy: -88.086 bonds (distance) P-C4' energy: -92.628 flat angles C4'-P-C4' energy: -103.017 flat angles P-C4'-P energy: -62.773 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: 4, replica: 4 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1268.319354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.319354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.319354 (E_RNA) where: Base-Base interactions energy: -847.549 where: short stacking energy: -365.137 Base-Backbone interact. energy: -1.262 local terms energy: -419.508233 where: bonds (distance) C4'-P energy: -82.720 bonds (distance) P-C4' energy: -84.129 flat angles C4'-P-C4' energy: -97.086 flat angles P-C4'-P energy: -62.915 tors. eta vs tors. theta energy: -92.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1162.847424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.847424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.847424 (E_RNA) where: Base-Base interactions energy: -725.256 where: short stacking energy: -340.422 Base-Backbone interact. energy: -2.670 local terms energy: -434.921406 where: bonds (distance) C4'-P energy: -86.899 bonds (distance) P-C4' energy: -92.159 flat angles C4'-P-C4' energy: -92.318 flat angles P-C4'-P energy: -61.656 tors. eta vs tors. theta energy: -101.890 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: 1 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1047.609510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.609510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.609510 (E_RNA) where: Base-Base interactions energy: -654.114 where: short stacking energy: -316.129 Base-Backbone interact. energy: 3.288 local terms energy: -396.783143 where: bonds (distance) C4'-P energy: -77.783 bonds (distance) P-C4' energy: -87.778 flat angles C4'-P-C4' energy: -91.884 flat angles P-C4'-P energy: -62.883 tors. eta vs tors. theta energy: -76.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -893.487707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.487707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.487707 (E_RNA) where: Base-Base interactions energy: -532.531 where: short stacking energy: -252.345 Base-Backbone interact. energy: -1.413 local terms energy: -359.544037 where: bonds (distance) C4'-P energy: -83.560 bonds (distance) P-C4' energy: -94.761 flat angles C4'-P-C4' energy: -87.999 flat angles P-C4'-P energy: -46.832 tors. eta vs tors. theta energy: -46.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -679.322227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.322227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.322227 (E_RNA) where: Base-Base interactions energy: -385.086 where: short stacking energy: -186.626 Base-Backbone interact. energy: -0.105 local terms energy: -294.130746 where: bonds (distance) C4'-P energy: -67.040 bonds (distance) P-C4' energy: -66.800 flat angles C4'-P-C4' energy: -73.392 flat angles P-C4'-P energy: -55.630 tors. eta vs tors. theta energy: -31.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -556.668837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.668837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.668837 (E_RNA) where: Base-Base interactions energy: -271.988 where: short stacking energy: -169.160 Base-Backbone interact. energy: -1.823 local terms energy: -282.858042 where: bonds (distance) C4'-P energy: -74.460 bonds (distance) P-C4' energy: -83.477 flat angles C4'-P-C4' energy: -78.493 flat angles P-C4'-P energy: -42.820 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -390.734808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.734808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.734808 (E_RNA) where: Base-Base interactions energy: -125.330 where: short stacking energy: -91.619 Base-Backbone interact. energy: 0.111 local terms energy: -265.515877 where: bonds (distance) C4'-P energy: -84.691 bonds (distance) P-C4' energy: -77.383 flat angles C4'-P-C4' energy: -82.329 flat angles P-C4'-P energy: -30.520 tors. eta vs tors. theta energy: 9.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1586.582438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.582438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.582438 (E_RNA) where: Base-Base interactions energy: -1057.715 where: short stacking energy: -460.617 Base-Backbone interact. energy: -2.770 local terms energy: -526.097057 where: bonds (distance) C4'-P energy: -93.612 bonds (distance) P-C4' energy: -105.754 flat angles C4'-P-C4' energy: -108.942 flat angles P-C4'-P energy: -69.345 tors. eta vs tors. theta energy: -148.444 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: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1469.448600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.448600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.448600 (E_RNA) where: Base-Base interactions energy: -996.405 where: short stacking energy: -399.864 Base-Backbone interact. energy: -1.809 local terms energy: -471.235037 where: bonds (distance) C4'-P energy: -87.298 bonds (distance) P-C4' energy: -104.370 flat angles C4'-P-C4' energy: -99.858 flat angles P-C4'-P energy: -67.036 tors. eta vs tors. theta energy: -112.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1448.343298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.343298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.343298 (E_RNA) where: Base-Base interactions energy: -959.885 where: short stacking energy: -446.669 Base-Backbone interact. energy: -2.779 local terms energy: -485.678811 where: bonds (distance) C4'-P energy: -88.464 bonds (distance) P-C4' energy: -99.028 flat angles C4'-P-C4' energy: -98.025 flat angles P-C4'-P energy: -65.657 tors. eta vs tors. theta energy: -134.504 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: 4 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1280.325606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.325606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.325606 (E_RNA) where: Base-Base interactions energy: -841.946 where: short stacking energy: -377.788 Base-Backbone interact. energy: -2.054 local terms energy: -436.325601 where: bonds (distance) C4'-P energy: -91.763 bonds (distance) P-C4' energy: -88.145 flat angles C4'-P-C4' energy: -96.014 flat angles P-C4'-P energy: -56.428 tors. eta vs tors. theta energy: -103.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1155.703787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.703787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.703787 (E_RNA) where: Base-Base interactions energy: -736.626 where: short stacking energy: -333.523 Base-Backbone interact. energy: -1.959 local terms energy: -417.118922 where: bonds (distance) C4'-P energy: -88.574 bonds (distance) P-C4' energy: -96.594 flat angles C4'-P-C4' energy: -84.364 flat angles P-C4'-P energy: -61.696 tors. eta vs tors. theta energy: -85.890 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: 1 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1033.149748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.149748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.149748 (E_RNA) where: Base-Base interactions energy: -639.929 where: short stacking energy: -296.795 Base-Backbone interact. energy: 1.826 local terms energy: -395.046215 where: bonds (distance) C4'-P energy: -89.966 bonds (distance) P-C4' energy: -75.202 flat angles C4'-P-C4' energy: -89.571 flat angles P-C4'-P energy: -76.029 tors. eta vs tors. theta energy: -64.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -857.569195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.569195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.569195 (E_RNA) where: Base-Base interactions energy: -527.380 where: short stacking energy: -252.765 Base-Backbone interact. energy: 0.018 local terms energy: -330.206813 where: bonds (distance) C4'-P energy: -85.153 bonds (distance) P-C4' energy: -74.908 flat angles C4'-P-C4' energy: -79.123 flat angles P-C4'-P energy: -49.232 tors. eta vs tors. theta energy: -41.791 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: 3 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -672.739811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.739811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.739811 (E_RNA) where: Base-Base interactions energy: -336.933 where: short stacking energy: -198.603 Base-Backbone interact. energy: 1.854 local terms energy: -337.660910 where: bonds (distance) C4'-P energy: -91.638 bonds (distance) P-C4' energy: -92.318 flat angles C4'-P-C4' energy: -74.070 flat angles P-C4'-P energy: -60.785 tors. eta vs tors. theta energy: -18.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -593.115679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.115679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.115679 (E_RNA) where: Base-Base interactions energy: -321.965 where: short stacking energy: -172.521 Base-Backbone interact. energy: 0.873 local terms energy: -272.023861 where: bonds (distance) C4'-P energy: -86.830 bonds (distance) P-C4' energy: -70.194 flat angles C4'-P-C4' energy: -69.365 flat angles P-C4'-P energy: -36.701 tors. eta vs tors. theta energy: -8.934 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: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -367.564573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.564573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.564573 (E_RNA) where: Base-Base interactions energy: -111.284 where: short stacking energy: -99.474 Base-Backbone interact. energy: 0.893 local terms energy: -257.173713 where: bonds (distance) C4'-P energy: -77.151 bonds (distance) P-C4' energy: -78.404 flat angles C4'-P-C4' energy: -56.327 flat angles P-C4'-P energy: -57.933 tors. eta vs tors. theta energy: 12.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1551.325950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.325950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.325950 (E_RNA) where: Base-Base interactions energy: -1061.834 where: short stacking energy: -482.395 Base-Backbone interact. energy: -2.771 local terms energy: -486.720928 where: bonds (distance) C4'-P energy: -90.756 bonds (distance) P-C4' energy: -100.258 flat angles C4'-P-C4' energy: -95.806 flat angles P-C4'-P energy: -58.726 tors. eta vs tors. theta energy: -141.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1476.725864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.725864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.725864 (E_RNA) where: Base-Base interactions energy: -1009.263 where: short stacking energy: -420.695 Base-Backbone interact. energy: -0.135 local terms energy: -467.327257 where: bonds (distance) C4'-P energy: -93.599 bonds (distance) P-C4' energy: -92.513 flat angles C4'-P-C4' energy: -106.164 flat angles P-C4'-P energy: -57.888 tors. eta vs tors. theta energy: -117.163 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: 10 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1390.457681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.457681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.457681 (E_RNA) where: Base-Base interactions energy: -922.989 where: short stacking energy: -423.638 Base-Backbone interact. energy: -0.966 local terms energy: -466.502745 where: bonds (distance) C4'-P energy: -84.472 bonds (distance) P-C4' energy: -98.283 flat angles C4'-P-C4' energy: -98.384 flat angles P-C4'-P energy: -59.566 tors. eta vs tors. theta energy: -125.797 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: 4, replica: 4 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1255.942887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.942887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.942887 (E_RNA) where: Base-Base interactions energy: -828.455 where: short stacking energy: -348.424 Base-Backbone interact. energy: 0.313 local terms energy: -427.800886 where: bonds (distance) C4'-P energy: -90.212 bonds (distance) P-C4' energy: -81.715 flat angles C4'-P-C4' energy: -102.003 flat angles P-C4'-P energy: -66.626 tors. eta vs tors. theta energy: -87.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1197.483886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.483886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.483886 (E_RNA) where: Base-Base interactions energy: -762.519 where: short stacking energy: -345.283 Base-Backbone interact. energy: -0.504 local terms energy: -434.461318 where: bonds (distance) C4'-P energy: -79.684 bonds (distance) P-C4' energy: -86.570 flat angles C4'-P-C4' energy: -105.693 flat angles P-C4'-P energy: -60.197 tors. eta vs tors. theta energy: -102.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1040.280337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.280337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.280337 (E_RNA) where: Base-Base interactions energy: -671.833 where: short stacking energy: -299.837 Base-Backbone interact. energy: 2.472 local terms energy: -370.919541 where: bonds (distance) C4'-P energy: -85.285 bonds (distance) P-C4' energy: -89.275 flat angles C4'-P-C4' energy: -79.181 flat angles P-C4'-P energy: -49.953 tors. eta vs tors. theta energy: -67.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -821.770576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.770576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.770576 (E_RNA) where: Base-Base interactions energy: -477.685 where: short stacking energy: -224.797 Base-Backbone interact. energy: -0.444 local terms energy: -343.641439 where: bonds (distance) C4'-P energy: -75.046 bonds (distance) P-C4' energy: -89.211 flat angles C4'-P-C4' energy: -92.736 flat angles P-C4'-P energy: -47.577 tors. eta vs tors. theta energy: -39.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -665.848825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.848825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.848825 (E_RNA) where: Base-Base interactions energy: -341.534 where: short stacking energy: -188.232 Base-Backbone interact. energy: -2.369 local terms energy: -321.946461 where: bonds (distance) C4'-P energy: -80.743 bonds (distance) P-C4' energy: -84.608 flat angles C4'-P-C4' energy: -80.442 flat angles P-C4'-P energy: -46.522 tors. eta vs tors. theta energy: -29.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -624.606196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.606196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.606196 (E_RNA) where: Base-Base interactions energy: -339.553 where: short stacking energy: -176.534 Base-Backbone interact. energy: -0.035 local terms energy: -285.018916 where: bonds (distance) C4'-P energy: -76.201 bonds (distance) P-C4' energy: -65.719 flat angles C4'-P-C4' energy: -85.538 flat angles P-C4'-P energy: -48.783 tors. eta vs tors. theta energy: -8.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -366.552082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.552082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.552082 (E_RNA) where: Base-Base interactions energy: -105.293 where: short stacking energy: -82.448 Base-Backbone interact. energy: 1.055 local terms energy: -262.314039 where: bonds (distance) C4'-P energy: -84.785 bonds (distance) P-C4' energy: -84.463 flat angles C4'-P-C4' energy: -80.569 flat angles P-C4'-P energy: -33.025 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: 1, replica: 8 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1579.623742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.623742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.623742 (E_RNA) where: Base-Base interactions energy: -1064.535 where: short stacking energy: -446.729 Base-Backbone interact. energy: -4.000 local terms energy: -511.088794 where: bonds (distance) C4'-P energy: -103.264 bonds (distance) P-C4' energy: -92.466 flat angles C4'-P-C4' energy: -109.327 flat angles P-C4'-P energy: -67.759 tors. eta vs tors. theta energy: -138.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1497.356494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.356494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.356494 (E_RNA) where: Base-Base interactions energy: -1013.297 where: short stacking energy: -430.351 Base-Backbone interact. energy: -2.196 local terms energy: -481.863164 where: bonds (distance) C4'-P energy: -93.996 bonds (distance) P-C4' energy: -88.796 flat angles C4'-P-C4' energy: -98.091 flat angles P-C4'-P energy: -74.458 tors. eta vs tors. theta energy: -126.522 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: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1403.068462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.068462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.068462 (E_RNA) where: Base-Base interactions energy: -947.128 where: short stacking energy: -432.750 Base-Backbone interact. energy: -2.462 local terms energy: -453.478700 where: bonds (distance) C4'-P energy: -90.115 bonds (distance) P-C4' energy: -86.418 flat angles C4'-P-C4' energy: -91.362 flat angles P-C4'-P energy: -59.057 tors. eta vs tors. theta energy: -126.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1268.429076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.429076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.429076 (E_RNA) where: Base-Base interactions energy: -830.627 where: short stacking energy: -374.307 Base-Backbone interact. energy: -3.221 local terms energy: -434.581498 where: bonds (distance) C4'-P energy: -85.535 bonds (distance) P-C4' energy: -89.022 flat angles C4'-P-C4' energy: -101.985 flat angles P-C4'-P energy: -63.473 tors. eta vs tors. theta energy: -94.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1175.169606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.169606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.169606 (E_RNA) where: Base-Base interactions energy: -752.195 where: short stacking energy: -360.553 Base-Backbone interact. energy: 0.349 local terms energy: -423.323549 where: bonds (distance) C4'-P energy: -82.513 bonds (distance) P-C4' energy: -86.828 flat angles C4'-P-C4' energy: -88.549 flat angles P-C4'-P energy: -65.039 tors. eta vs tors. theta energy: -100.394 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: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1011.622679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.622679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.622679 (E_RNA) where: Base-Base interactions energy: -639.191 where: short stacking energy: -311.592 Base-Backbone interact. energy: 0.562 local terms energy: -372.993758 where: bonds (distance) C4'-P energy: -84.748 bonds (distance) P-C4' energy: -81.879 flat angles C4'-P-C4' energy: -89.845 flat angles P-C4'-P energy: -47.839 tors. eta vs tors. theta energy: -68.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -865.765335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.765335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.765335 (E_RNA) where: Base-Base interactions energy: -519.605 where: short stacking energy: -234.393 Base-Backbone interact. energy: -0.836 local terms energy: -345.325286 where: bonds (distance) C4'-P energy: -78.817 bonds (distance) P-C4' energy: -95.386 flat angles C4'-P-C4' energy: -81.670 flat angles P-C4'-P energy: -45.728 tors. eta vs tors. theta energy: -43.723 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: 421 Temperature: 1.250000 Total energy: -691.473662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.473662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.473662 (E_RNA) where: Base-Base interactions energy: -400.255 where: short stacking energy: -182.354 Base-Backbone interact. energy: -1.376 local terms energy: -289.842236 where: bonds (distance) C4'-P energy: -92.015 bonds (distance) P-C4' energy: -63.170 flat angles C4'-P-C4' energy: -73.296 flat angles P-C4'-P energy: -60.130 tors. eta vs tors. theta energy: -1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -558.478541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.478541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.478541 (E_RNA) where: Base-Base interactions energy: -295.675 where: short stacking energy: -162.772 Base-Backbone interact. energy: 2.143 local terms energy: -264.945921 where: bonds (distance) C4'-P energy: -69.630 bonds (distance) P-C4' energy: -84.745 flat angles C4'-P-C4' energy: -75.255 flat angles P-C4'-P energy: -30.779 tors. eta vs tors. theta energy: -4.537 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: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -355.574017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.574017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.574017 (E_RNA) where: Base-Base interactions energy: -103.156 where: short stacking energy: -77.938 Base-Backbone interact. energy: 0.722 local terms energy: -253.139594 where: bonds (distance) C4'-P energy: -92.885 bonds (distance) P-C4' energy: -88.799 flat angles C4'-P-C4' energy: -69.231 flat angles P-C4'-P energy: -28.029 tors. eta vs tors. theta energy: 25.804 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: 8 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1571.705189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.705189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.705189 (E_RNA) where: Base-Base interactions energy: -1077.014 where: short stacking energy: -466.718 Base-Backbone interact. energy: -2.519 local terms energy: -492.171909 where: bonds (distance) C4'-P energy: -97.912 bonds (distance) P-C4' energy: -95.826 flat angles C4'-P-C4' energy: -110.946 flat angles P-C4'-P energy: -56.883 tors. eta vs tors. theta energy: -130.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1476.180216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.180216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.180216 (E_RNA) where: Base-Base interactions energy: -1004.777 where: short stacking energy: -412.767 Base-Backbone interact. energy: -5.142 local terms energy: -466.261492 where: bonds (distance) C4'-P energy: -86.648 bonds (distance) P-C4' energy: -97.121 flat angles C4'-P-C4' energy: -107.647 flat angles P-C4'-P energy: -61.723 tors. eta vs tors. theta energy: -113.123 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: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1397.929971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.929971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.929971 (E_RNA) where: Base-Base interactions energy: -921.070 where: short stacking energy: -419.864 Base-Backbone interact. energy: -2.567 local terms energy: -474.293134 where: bonds (distance) C4'-P energy: -95.072 bonds (distance) P-C4' energy: -85.233 flat angles C4'-P-C4' energy: -103.113 flat angles P-C4'-P energy: -63.523 tors. eta vs tors. theta energy: -127.353 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: 4, replica: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1284.542919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.542919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.542919 (E_RNA) where: Base-Base interactions energy: -840.962 where: short stacking energy: -383.073 Base-Backbone interact. energy: -2.144 local terms energy: -441.437457 where: bonds (distance) C4'-P energy: -79.898 bonds (distance) P-C4' energy: -93.823 flat angles C4'-P-C4' energy: -95.373 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: -98.441 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: 2 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1158.114271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.114271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.114271 (E_RNA) where: Base-Base interactions energy: -756.800 where: short stacking energy: -342.512 Base-Backbone interact. energy: -1.191 local terms energy: -400.123337 where: bonds (distance) C4'-P energy: -76.980 bonds (distance) P-C4' energy: -85.884 flat angles C4'-P-C4' energy: -102.911 flat angles P-C4'-P energy: -51.481 tors. eta vs tors. theta energy: -82.868 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: 6, replica: 1 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -984.409638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.409638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.409638 (E_RNA) where: Base-Base interactions energy: -604.336 where: short stacking energy: -311.686 Base-Backbone interact. energy: -0.240 local terms energy: -379.833381 where: bonds (distance) C4'-P energy: -81.933 bonds (distance) P-C4' energy: -82.459 flat angles C4'-P-C4' energy: -84.692 flat angles P-C4'-P energy: -59.333 tors. eta vs tors. theta energy: -71.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -838.922680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.922680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.922680 (E_RNA) where: Base-Base interactions energy: -498.007 where: short stacking energy: -244.695 Base-Backbone interact. energy: -1.399 local terms energy: -339.517401 where: bonds (distance) C4'-P energy: -80.364 bonds (distance) P-C4' energy: -95.809 flat angles C4'-P-C4' energy: -75.875 flat angles P-C4'-P energy: -49.046 tors. eta vs tors. theta energy: -38.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -687.434452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.434452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.434452 (E_RNA) where: Base-Base interactions energy: -379.326 where: short stacking energy: -178.749 Base-Backbone interact. energy: 3.415 local terms energy: -311.523491 where: bonds (distance) C4'-P energy: -63.563 bonds (distance) P-C4' energy: -80.462 flat angles C4'-P-C4' energy: -85.871 flat angles P-C4'-P energy: -59.867 tors. eta vs tors. theta energy: -21.760 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: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -558.829178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.829178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.829178 (E_RNA) where: Base-Base interactions energy: -266.203 where: short stacking energy: -167.655 Base-Backbone interact. energy: 0.101 local terms energy: -292.727258 where: bonds (distance) C4'-P energy: -80.126 bonds (distance) P-C4' energy: -83.482 flat angles C4'-P-C4' energy: -54.740 flat angles P-C4'-P energy: -53.155 tors. eta vs tors. theta energy: -21.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -375.832402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.832402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.832402 (E_RNA) where: Base-Base interactions energy: -121.932 where: short stacking energy: -96.138 Base-Backbone interact. energy: 4.679 local terms energy: -258.579135 where: bonds (distance) C4'-P energy: -75.801 bonds (distance) P-C4' energy: -91.830 flat angles C4'-P-C4' energy: -58.780 flat angles P-C4'-P energy: -39.877 tors. eta vs tors. theta energy: 7.707 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: 8 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1550.149515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.149515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.149515 (E_RNA) where: Base-Base interactions energy: -1053.837 where: short stacking energy: -454.037 Base-Backbone interact. energy: -2.792 local terms energy: -493.520816 where: bonds (distance) C4'-P energy: -87.776 bonds (distance) P-C4' energy: -94.755 flat angles C4'-P-C4' energy: -114.386 flat angles P-C4'-P energy: -58.454 tors. eta vs tors. theta energy: -138.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1493.871239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.871239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.871239 (E_RNA) where: Base-Base interactions energy: -1003.406 where: short stacking energy: -442.537 Base-Backbone interact. energy: -2.770 local terms energy: -487.694985 where: bonds (distance) C4'-P energy: -87.528 bonds (distance) P-C4' energy: -102.969 flat angles C4'-P-C4' energy: -109.051 flat angles P-C4'-P energy: -62.595 tors. eta vs tors. theta energy: -125.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1412.252107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.252107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.252107 (E_RNA) where: Base-Base interactions energy: -936.661 where: short stacking energy: -430.825 Base-Backbone interact. energy: -0.891 local terms energy: -474.700790 where: bonds (distance) C4'-P energy: -89.740 bonds (distance) P-C4' energy: -91.401 flat angles C4'-P-C4' energy: -103.746 flat angles P-C4'-P energy: -61.181 tors. eta vs tors. theta energy: -128.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1266.492697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.492697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.492697 (E_RNA) where: Base-Base interactions energy: -828.409 where: short stacking energy: -360.400 Base-Backbone interact. energy: -1.383 local terms energy: -436.700666 where: bonds (distance) C4'-P energy: -80.918 bonds (distance) P-C4' energy: -97.698 flat angles C4'-P-C4' energy: -97.275 flat angles P-C4'-P energy: -58.653 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: 5, replica: 2 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1155.439788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.439788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.439788 (E_RNA) where: Base-Base interactions energy: -716.571 where: short stacking energy: -327.765 Base-Backbone interact. energy: -1.718 local terms energy: -437.150377 where: bonds (distance) C4'-P energy: -98.036 bonds (distance) P-C4' energy: -75.660 flat angles C4'-P-C4' energy: -107.889 flat angles P-C4'-P energy: -57.294 tors. eta vs tors. theta energy: -98.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1036.784096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.784096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.784096 (E_RNA) where: Base-Base interactions energy: -624.603 where: short stacking energy: -290.654 Base-Backbone interact. energy: -1.155 local terms energy: -411.025616 where: bonds (distance) C4'-P energy: -90.000 bonds (distance) P-C4' energy: -96.942 flat angles C4'-P-C4' energy: -106.831 flat angles P-C4'-P energy: -53.806 tors. eta vs tors. theta energy: -63.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -852.851397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.851397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.851397 (E_RNA) where: Base-Base interactions energy: -503.359 where: short stacking energy: -244.998 Base-Backbone interact. energy: -1.149 local terms energy: -348.343190 where: bonds (distance) C4'-P energy: -83.892 bonds (distance) P-C4' energy: -85.355 flat angles C4'-P-C4' energy: -87.812 flat angles P-C4'-P energy: -46.812 tors. eta vs tors. theta energy: -44.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -652.856760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.856760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.856760 (E_RNA) where: Base-Base interactions energy: -368.146 where: short stacking energy: -210.414 Base-Backbone interact. energy: -0.075 local terms energy: -284.635399 where: bonds (distance) C4'-P energy: -67.258 bonds (distance) P-C4' energy: -89.135 flat angles C4'-P-C4' energy: -74.129 flat angles P-C4'-P energy: -26.682 tors. eta vs tors. theta energy: -27.431 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: 3 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -535.640158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.640158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.640158 (E_RNA) where: Base-Base interactions energy: -248.181 where: short stacking energy: -137.210 Base-Backbone interact. energy: -1.234 local terms energy: -286.225044 where: bonds (distance) C4'-P energy: -78.708 bonds (distance) P-C4' energy: -88.070 flat angles C4'-P-C4' energy: -82.744 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: 4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -369.036997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.036997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.036997 (E_RNA) where: Base-Base interactions energy: -104.851 where: short stacking energy: -100.063 Base-Backbone interact. energy: -1.880 local terms energy: -262.305465 where: bonds (distance) C4'-P energy: -82.069 bonds (distance) P-C4' energy: -82.999 flat angles C4'-P-C4' energy: -67.137 flat angles P-C4'-P energy: -47.395 tors. eta vs tors. theta energy: 17.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1547.510256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.510256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.510256 (E_RNA) where: Base-Base interactions energy: -1031.685 where: short stacking energy: -470.112 Base-Backbone interact. energy: -1.557 local terms energy: -514.268714 where: bonds (distance) C4'-P energy: -98.759 bonds (distance) P-C4' energy: -89.403 flat angles C4'-P-C4' energy: -110.031 flat angles P-C4'-P energy: -75.759 tors. eta vs tors. theta energy: -140.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1471.486221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.486221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.486221 (E_RNA) where: Base-Base interactions energy: -981.575 where: short stacking energy: -425.255 Base-Backbone interact. energy: -3.480 local terms energy: -486.431636 where: bonds (distance) C4'-P energy: -92.028 bonds (distance) P-C4' energy: -93.203 flat angles C4'-P-C4' energy: -113.797 flat angles P-C4'-P energy: -67.326 tors. eta vs tors. theta energy: -120.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1389.857564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.857564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.857564 (E_RNA) where: Base-Base interactions energy: -912.414 where: short stacking energy: -444.955 Base-Backbone interact. energy: -0.838 local terms energy: -476.605568 where: bonds (distance) C4'-P energy: -78.930 bonds (distance) P-C4' energy: -95.329 flat angles C4'-P-C4' energy: -106.585 flat angles P-C4'-P energy: -67.587 tors. eta vs tors. theta energy: -128.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1267.300377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.300377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.300377 (E_RNA) where: Base-Base interactions energy: -823.798 where: short stacking energy: -364.330 Base-Backbone interact. energy: -1.165 local terms energy: -442.337041 where: bonds (distance) C4'-P energy: -91.364 bonds (distance) P-C4' energy: -93.210 flat angles C4'-P-C4' energy: -99.250 flat angles P-C4'-P energy: -65.259 tors. eta vs tors. theta energy: -93.255 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: 424 Temperature: 1.100000 Total energy: -1245.036907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.036907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.036907 (E_RNA) where: Base-Base interactions energy: -799.186 where: short stacking energy: -369.849 Base-Backbone interact. energy: -1.120 local terms energy: -444.730749 where: bonds (distance) C4'-P energy: -85.628 bonds (distance) P-C4' energy: -76.662 flat angles C4'-P-C4' energy: -99.163 flat angles P-C4'-P energy: -78.741 tors. eta vs tors. theta energy: -104.537 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: 6, replica: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1024.285249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.285249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.285249 (E_RNA) where: Base-Base interactions energy: -651.925 where: short stacking energy: -310.726 Base-Backbone interact. energy: -0.639 local terms energy: -371.721202 where: bonds (distance) C4'-P energy: -83.085 bonds (distance) P-C4' energy: -75.001 flat angles C4'-P-C4' energy: -97.010 flat angles P-C4'-P energy: -61.421 tors. eta vs tors. theta energy: -55.203 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: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -864.491234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.491234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.491234 (E_RNA) where: Base-Base interactions energy: -552.317 where: short stacking energy: -257.102 Base-Backbone interact. energy: -0.539 local terms energy: -311.635983 where: bonds (distance) C4'-P energy: -82.723 bonds (distance) P-C4' energy: -71.247 flat angles C4'-P-C4' energy: -76.024 flat angles P-C4'-P energy: -44.897 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: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -705.897475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.897475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.897475 (E_RNA) where: Base-Base interactions energy: -406.356 where: short stacking energy: -208.724 Base-Backbone interact. energy: 3.036 local terms energy: -302.577056 where: bonds (distance) C4'-P energy: -75.417 bonds (distance) P-C4' energy: -93.064 flat angles C4'-P-C4' energy: -68.451 flat angles P-C4'-P energy: -46.389 tors. eta vs tors. theta energy: -19.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -531.606110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.606110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.606110 (E_RNA) where: Base-Base interactions energy: -263.074 where: short stacking energy: -157.210 Base-Backbone interact. energy: 1.203 local terms energy: -269.735661 where: bonds (distance) C4'-P energy: -82.340 bonds (distance) P-C4' energy: -69.593 flat angles C4'-P-C4' energy: -74.521 flat angles P-C4'-P energy: -55.634 tors. eta vs tors. theta energy: 12.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -376.680728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.680728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.680728 (E_RNA) where: Base-Base interactions energy: -134.845 where: short stacking energy: -110.201 Base-Backbone interact. energy: -1.886 local terms energy: -239.949931 where: bonds (distance) C4'-P energy: -79.340 bonds (distance) P-C4' energy: -85.329 flat angles C4'-P-C4' energy: -58.989 flat angles P-C4'-P energy: -41.334 tors. eta vs tors. theta energy: 25.042 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: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1559.639003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.639003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.639003 (E_RNA) where: Base-Base interactions energy: -1058.236 where: short stacking energy: -455.332 Base-Backbone interact. energy: -3.586 local terms energy: -497.817633 where: bonds (distance) C4'-P energy: -94.131 bonds (distance) P-C4' energy: -89.078 flat angles C4'-P-C4' energy: -109.790 flat angles P-C4'-P energy: -67.877 tors. eta vs tors. theta energy: -136.941 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: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1471.046402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.046402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.046402 (E_RNA) where: Base-Base interactions energy: -970.187 where: short stacking energy: -419.345 Base-Backbone interact. energy: -0.697 local terms energy: -500.162351 where: bonds (distance) C4'-P energy: -94.936 bonds (distance) P-C4' energy: -109.118 flat angles C4'-P-C4' energy: -104.822 flat angles P-C4'-P energy: -62.213 tors. eta vs tors. theta energy: -129.073 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: 3, replica: 10 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1427.796248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.796248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.796248 (E_RNA) where: Base-Base interactions energy: -954.593 where: short stacking energy: -443.345 Base-Backbone interact. energy: -2.072 local terms energy: -471.130764 where: bonds (distance) C4'-P energy: -88.499 bonds (distance) P-C4' energy: -101.149 flat angles C4'-P-C4' energy: -87.998 flat angles P-C4'-P energy: -60.367 tors. eta vs tors. theta energy: -133.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1277.360964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.360964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.360964 (E_RNA) where: Base-Base interactions energy: -840.402 where: short stacking energy: -372.823 Base-Backbone interact. energy: -1.978 local terms energy: -434.980686 where: bonds (distance) C4'-P energy: -92.817 bonds (distance) P-C4' energy: -81.619 flat angles C4'-P-C4' energy: -92.994 flat angles P-C4'-P energy: -60.266 tors. eta vs tors. theta energy: -107.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1165.664465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.664465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.664465 (E_RNA) where: Base-Base interactions energy: -755.948 where: short stacking energy: -327.092 Base-Backbone interact. energy: -2.350 local terms energy: -407.366641 where: bonds (distance) C4'-P energy: -78.322 bonds (distance) P-C4' energy: -83.945 flat angles C4'-P-C4' energy: -113.219 flat angles P-C4'-P energy: -47.161 tors. eta vs tors. theta energy: -84.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1008.772488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.772488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.772488 (E_RNA) where: Base-Base interactions energy: -636.648 where: short stacking energy: -309.272 Base-Backbone interact. energy: -2.556 local terms energy: -369.568164 where: bonds (distance) C4'-P energy: -86.066 bonds (distance) P-C4' energy: -78.930 flat angles C4'-P-C4' energy: -80.138 flat angles P-C4'-P energy: -48.693 tors. eta vs tors. theta energy: -75.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -823.685483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.685483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.685483 (E_RNA) where: Base-Base interactions energy: -469.234 where: short stacking energy: -237.816 Base-Backbone interact. energy: -0.031 local terms energy: -354.420724 where: bonds (distance) C4'-P energy: -90.403 bonds (distance) P-C4' energy: -92.003 flat angles C4'-P-C4' energy: -67.906 flat angles P-C4'-P energy: -58.790 tors. eta vs tors. theta energy: -45.319 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: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -732.328072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.328072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.328072 (E_RNA) where: Base-Base interactions energy: -426.128 where: short stacking energy: -208.767 Base-Backbone interact. energy: -0.672 local terms energy: -305.528260 where: bonds (distance) C4'-P energy: -83.701 bonds (distance) P-C4' energy: -85.235 flat angles C4'-P-C4' energy: -79.606 flat angles P-C4'-P energy: -36.023 tors. eta vs tors. theta energy: -20.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -559.637878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.637878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.637878 (E_RNA) where: Base-Base interactions energy: -270.323 where: short stacking energy: -161.854 Base-Backbone interact. energy: -2.243 local terms energy: -287.072089 where: bonds (distance) C4'-P energy: -88.562 bonds (distance) P-C4' energy: -78.232 flat angles C4'-P-C4' energy: -76.486 flat angles P-C4'-P energy: -48.720 tors. eta vs tors. theta energy: 4.928 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: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -436.051969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.051969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.051969 (E_RNA) where: Base-Base interactions energy: -177.105 where: short stacking energy: -114.841 Base-Backbone interact. energy: -1.456 local terms energy: -257.490781 where: bonds (distance) C4'-P energy: -71.344 bonds (distance) P-C4' energy: -90.243 flat angles C4'-P-C4' energy: -67.553 flat angles P-C4'-P energy: -46.329 tors. eta vs tors. theta energy: 17.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1542.210205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.210205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.210205 (E_RNA) where: Base-Base interactions energy: -1017.143 where: short stacking energy: -447.998 Base-Backbone interact. energy: -2.473 local terms energy: -522.593932 where: bonds (distance) C4'-P energy: -93.319 bonds (distance) P-C4' energy: -99.682 flat angles C4'-P-C4' energy: -114.691 flat angles P-C4'-P energy: -75.833 tors. eta vs tors. theta energy: -139.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1445.414080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.414080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.414080 (E_RNA) where: Base-Base interactions energy: -989.522 where: short stacking energy: -416.109 Base-Backbone interact. energy: -3.382 local terms energy: -452.510028 where: bonds (distance) C4'-P energy: -87.302 bonds (distance) P-C4' energy: -85.924 flat angles C4'-P-C4' energy: -104.064 flat angles P-C4'-P energy: -57.270 tors. eta vs tors. theta energy: -117.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1450.496881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.496881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.496881 (E_RNA) where: Base-Base interactions energy: -960.386 where: short stacking energy: -442.883 Base-Backbone interact. energy: -1.475 local terms energy: -488.635697 where: bonds (distance) C4'-P energy: -89.034 bonds (distance) P-C4' energy: -93.745 flat angles C4'-P-C4' energy: -108.905 flat angles P-C4'-P energy: -56.508 tors. eta vs tors. theta energy: -140.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1284.132765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.132765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.132765 (E_RNA) where: Base-Base interactions energy: -839.875 where: short stacking energy: -382.633 Base-Backbone interact. energy: 0.168 local terms energy: -444.426262 where: bonds (distance) C4'-P energy: -90.430 bonds (distance) P-C4' energy: -94.510 flat angles C4'-P-C4' energy: -93.036 flat angles P-C4'-P energy: -54.899 tors. eta vs tors. theta energy: -111.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1165.966348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.966348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.966348 (E_RNA) where: Base-Base interactions energy: -762.769 where: short stacking energy: -350.966 Base-Backbone interact. energy: -1.322 local terms energy: -401.875604 where: bonds (distance) C4'-P energy: -74.294 bonds (distance) P-C4' energy: -88.087 flat angles C4'-P-C4' energy: -89.081 flat angles P-C4'-P energy: -56.951 tors. eta vs tors. theta energy: -93.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1114.424835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.424835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.424835 (E_RNA) where: Base-Base interactions energy: -698.264 where: short stacking energy: -364.854 Base-Backbone interact. energy: -2.351 local terms energy: -413.809264 where: bonds (distance) C4'-P energy: -81.325 bonds (distance) P-C4' energy: -83.359 flat angles C4'-P-C4' energy: -98.749 flat angles P-C4'-P energy: -66.741 tors. eta vs tors. theta energy: -83.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -839.411031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.411031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.411031 (E_RNA) where: Base-Base interactions energy: -495.090 where: short stacking energy: -221.993 Base-Backbone interact. energy: 1.452 local terms energy: -345.773250 where: bonds (distance) C4'-P energy: -88.001 bonds (distance) P-C4' energy: -91.084 flat angles C4'-P-C4' energy: -80.298 flat angles P-C4'-P energy: -47.196 tors. eta vs tors. theta energy: -39.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -756.491438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.491438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.491438 (E_RNA) where: Base-Base interactions energy: -442.145 where: short stacking energy: -225.888 Base-Backbone interact. energy: 0.721 local terms energy: -315.067825 where: bonds (distance) C4'-P energy: -79.562 bonds (distance) P-C4' energy: -77.622 flat angles C4'-P-C4' energy: -72.336 flat angles P-C4'-P energy: -54.541 tors. eta vs tors. theta energy: -31.007 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: 3 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -523.134680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.134680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.134680 (E_RNA) where: Base-Base interactions energy: -269.288 where: short stacking energy: -177.912 Base-Backbone interact. energy: 3.114 local terms energy: -256.960454 where: bonds (distance) C4'-P energy: -64.270 bonds (distance) P-C4' energy: -84.748 flat angles C4'-P-C4' energy: -61.923 flat angles P-C4'-P energy: -36.661 tors. eta vs tors. theta energy: -9.359 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: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -412.955430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.955430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.955430 (E_RNA) where: Base-Base interactions energy: -173.084 where: short stacking energy: -121.778 Base-Backbone interact. energy: -2.889 local terms energy: -236.982387 where: bonds (distance) C4'-P energy: -54.407 bonds (distance) P-C4' energy: -85.455 flat angles C4'-P-C4' energy: -73.205 flat angles P-C4'-P energy: -42.686 tors. eta vs tors. theta energy: 18.771 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: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1558.349591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.349591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.349591 (E_RNA) where: Base-Base interactions energy: -1038.357 where: short stacking energy: -464.625 Base-Backbone interact. energy: -3.171 local terms energy: -516.821547 where: bonds (distance) C4'-P energy: -93.326 bonds (distance) P-C4' energy: -96.579 flat angles C4'-P-C4' energy: -105.212 flat angles P-C4'-P energy: -72.807 tors. eta vs tors. theta energy: -148.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1469.934283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.934283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.934283 (E_RNA) where: Base-Base interactions energy: -980.666 where: short stacking energy: -446.256 Base-Backbone interact. energy: -1.329 local terms energy: -487.939414 where: bonds (distance) C4'-P energy: -89.618 bonds (distance) P-C4' energy: -92.163 flat angles C4'-P-C4' energy: -107.989 flat angles P-C4'-P energy: -62.442 tors. eta vs tors. theta energy: -135.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1407.673581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.673581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.673581 (E_RNA) where: Base-Base interactions energy: -954.416 where: short stacking energy: -428.261 Base-Backbone interact. energy: -2.456 local terms energy: -450.802296 where: bonds (distance) C4'-P energy: -78.299 bonds (distance) P-C4' energy: -75.360 flat angles C4'-P-C4' energy: -100.558 flat angles P-C4'-P energy: -75.563 tors. eta vs tors. theta energy: -121.021 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: 4, replica: 4 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1310.113517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.113517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.113517 (E_RNA) where: Base-Base interactions energy: -870.828 where: short stacking energy: -401.561 Base-Backbone interact. energy: -1.500 local terms energy: -437.786262 where: bonds (distance) C4'-P energy: -76.417 bonds (distance) P-C4' energy: -94.111 flat angles C4'-P-C4' energy: -95.116 flat angles P-C4'-P energy: -51.111 tors. eta vs tors. theta energy: -121.031 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: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1169.863907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.863907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.863907 (E_RNA) where: Base-Base interactions energy: -761.349 where: short stacking energy: -332.505 Base-Backbone interact. energy: -2.677 local terms energy: -405.838367 where: bonds (distance) C4'-P energy: -77.234 bonds (distance) P-C4' energy: -85.497 flat angles C4'-P-C4' energy: -95.139 flat angles P-C4'-P energy: -62.726 tors. eta vs tors. theta energy: -85.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1063.867468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.867468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.867468 (E_RNA) where: Base-Base interactions energy: -648.529 where: short stacking energy: -317.383 Base-Backbone interact. energy: -0.317 local terms energy: -415.020866 where: bonds (distance) C4'-P energy: -88.292 bonds (distance) P-C4' energy: -94.328 flat angles C4'-P-C4' energy: -87.570 flat angles P-C4'-P energy: -62.433 tors. eta vs tors. theta energy: -82.399 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: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -846.370803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.370803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.370803 (E_RNA) where: Base-Base interactions energy: -495.652 where: short stacking energy: -225.502 Base-Backbone interact. energy: -1.730 local terms energy: -348.988702 where: bonds (distance) C4'-P energy: -75.088 bonds (distance) P-C4' energy: -78.566 flat angles C4'-P-C4' energy: -86.753 flat angles P-C4'-P energy: -63.649 tors. eta vs tors. theta energy: -44.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -731.512380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.512380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.512380 (E_RNA) where: Base-Base interactions energy: -407.642 where: short stacking energy: -184.356 Base-Backbone interact. energy: 0.931 local terms energy: -324.800758 where: bonds (distance) C4'-P energy: -81.634 bonds (distance) P-C4' energy: -84.329 flat angles C4'-P-C4' energy: -83.218 flat angles P-C4'-P energy: -51.903 tors. eta vs tors. theta energy: -23.716 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: 9, replica: 3 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -538.413298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.413298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.413298 (E_RNA) where: Base-Base interactions energy: -300.829 where: short stacking energy: -148.870 Base-Backbone interact. energy: 6.065 local terms energy: -243.648581 where: bonds (distance) C4'-P energy: -92.806 bonds (distance) P-C4' energy: -63.536 flat angles C4'-P-C4' energy: -53.307 flat angles P-C4'-P energy: -37.521 tors. eta vs tors. theta energy: 3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -370.160956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.160956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.160956 (E_RNA) where: Base-Base interactions energy: -117.493 where: short stacking energy: -100.134 Base-Backbone interact. energy: -0.353 local terms energy: -252.315284 where: bonds (distance) C4'-P energy: -72.863 bonds (distance) P-C4' energy: -84.777 flat angles C4'-P-C4' energy: -73.069 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: 25.527 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: 8 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1576.855588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.855588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.855588 (E_RNA) where: Base-Base interactions energy: -1046.356 where: short stacking energy: -475.724 Base-Backbone interact. energy: -1.327 local terms energy: -529.173350 where: bonds (distance) C4'-P energy: -99.170 bonds (distance) P-C4' energy: -92.287 flat angles C4'-P-C4' energy: -107.678 flat angles P-C4'-P energy: -79.181 tors. eta vs tors. theta energy: -150.856 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: 10 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1432.314007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.314007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.314007 (E_RNA) where: Base-Base interactions energy: -933.806 where: short stacking energy: -423.183 Base-Backbone interact. energy: -3.226 local terms energy: -495.282178 where: bonds (distance) C4'-P energy: -98.612 bonds (distance) P-C4' energy: -84.467 flat angles C4'-P-C4' energy: -104.146 flat angles P-C4'-P energy: -78.391 tors. eta vs tors. theta energy: -129.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1411.019168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.019168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.019168 (E_RNA) where: Base-Base interactions energy: -959.194 where: short stacking energy: -409.032 Base-Backbone interact. energy: 2.754 local terms energy: -454.579157 where: bonds (distance) C4'-P energy: -96.124 bonds (distance) P-C4' energy: -85.948 flat angles C4'-P-C4' energy: -87.878 flat angles P-C4'-P energy: -57.249 tors. eta vs tors. theta energy: -127.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1277.183230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.183230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.183230 (E_RNA) where: Base-Base interactions energy: -830.387 where: short stacking energy: -375.633 Base-Backbone interact. energy: -0.514 local terms energy: -446.282090 where: bonds (distance) C4'-P energy: -81.850 bonds (distance) P-C4' energy: -84.861 flat angles C4'-P-C4' energy: -98.507 flat angles P-C4'-P energy: -68.934 tors. eta vs tors. theta energy: -112.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1150.087518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.087518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.087518 (E_RNA) where: Base-Base interactions energy: -731.089 where: short stacking energy: -325.773 Base-Backbone interact. energy: -1.235 local terms energy: -417.763782 where: bonds (distance) C4'-P energy: -87.167 bonds (distance) P-C4' energy: -90.614 flat angles C4'-P-C4' energy: -95.677 flat angles P-C4'-P energy: -66.726 tors. eta vs tors. theta energy: -77.580 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: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1093.643624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.643624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.643624 (E_RNA) where: Base-Base interactions energy: -691.140 where: short stacking energy: -341.180 Base-Backbone interact. energy: -3.038 local terms energy: -399.465727 where: bonds (distance) C4'-P energy: -95.642 bonds (distance) P-C4' energy: -80.716 flat angles C4'-P-C4' energy: -81.675 flat angles P-C4'-P energy: -52.326 tors. eta vs tors. theta energy: -89.106 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: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -861.810700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.810700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.810700 (E_RNA) where: Base-Base interactions energy: -525.663 where: short stacking energy: -247.772 Base-Backbone interact. energy: -3.353 local terms energy: -332.794284 where: bonds (distance) C4'-P energy: -73.418 bonds (distance) P-C4' energy: -91.891 flat angles C4'-P-C4' energy: -76.796 flat angles P-C4'-P energy: -47.268 tors. eta vs tors. theta energy: -43.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -685.699853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.699853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.699853 (E_RNA) where: Base-Base interactions energy: -361.931 where: short stacking energy: -172.086 Base-Backbone interact. energy: 3.944 local terms energy: -327.712721 where: bonds (distance) C4'-P energy: -77.095 bonds (distance) P-C4' energy: -96.432 flat angles C4'-P-C4' energy: -71.319 flat angles P-C4'-P energy: -53.910 tors. eta vs tors. theta energy: -28.957 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: 3 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -521.648662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.648662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.648662 (E_RNA) where: Base-Base interactions energy: -261.346 where: short stacking energy: -156.523 Base-Backbone interact. energy: -1.409 local terms energy: -258.893379 where: bonds (distance) C4'-P energy: -78.964 bonds (distance) P-C4' energy: -69.579 flat angles C4'-P-C4' energy: -68.093 flat angles P-C4'-P energy: -38.986 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -385.527727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.527727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.527727 (E_RNA) where: Base-Base interactions energy: -142.836 where: short stacking energy: -134.277 Base-Backbone interact. energy: 2.148 local terms energy: -244.840057 where: bonds (distance) C4'-P energy: -82.126 bonds (distance) P-C4' energy: -67.309 flat angles C4'-P-C4' energy: -75.347 flat angles P-C4'-P energy: -31.686 tors. eta vs tors. theta energy: 11.629 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: 8 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1582.721453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.721453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.721453 (E_RNA) where: Base-Base interactions energy: -1080.102 where: short stacking energy: -472.678 Base-Backbone interact. energy: -3.222 local terms energy: -499.397474 where: bonds (distance) C4'-P energy: -83.012 bonds (distance) P-C4' energy: -91.880 flat angles C4'-P-C4' energy: -113.133 flat angles P-C4'-P energy: -67.114 tors. eta vs tors. theta energy: -144.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1470.821580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.821580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.821580 (E_RNA) where: Base-Base interactions energy: -979.420 where: short stacking energy: -460.885 Base-Backbone interact. energy: -2.450 local terms energy: -488.951599 where: bonds (distance) C4'-P energy: -90.410 bonds (distance) P-C4' energy: -90.679 flat angles C4'-P-C4' energy: -108.379 flat angles P-C4'-P energy: -63.610 tors. eta vs tors. theta energy: -135.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1395.326447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.326447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.326447 (E_RNA) where: Base-Base interactions energy: -944.235 where: short stacking energy: -400.634 Base-Backbone interact. energy: -6.747 local terms energy: -444.344270 where: bonds (distance) C4'-P energy: -92.687 bonds (distance) P-C4' energy: -84.396 flat angles C4'-P-C4' energy: -99.050 flat angles P-C4'-P energy: -59.196 tors. eta vs tors. theta energy: -109.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1317.868412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.868412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.868412 (E_RNA) where: Base-Base interactions energy: -847.919 where: short stacking energy: -394.949 Base-Backbone interact. energy: -0.542 local terms energy: -469.407851 where: bonds (distance) C4'-P energy: -96.624 bonds (distance) P-C4' energy: -84.017 flat angles C4'-P-C4' energy: -103.851 flat angles P-C4'-P energy: -67.046 tors. eta vs tors. theta energy: -117.870 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: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1155.923040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.923040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.923040 (E_RNA) where: Base-Base interactions energy: -776.949 where: short stacking energy: -361.479 Base-Backbone interact. energy: -0.416 local terms energy: -378.558392 where: bonds (distance) C4'-P energy: -82.456 bonds (distance) P-C4' energy: -68.939 flat angles C4'-P-C4' energy: -84.214 flat angles P-C4'-P energy: -54.531 tors. eta vs tors. theta energy: -88.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1088.397261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.397261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.397261 (E_RNA) where: Base-Base interactions energy: -670.629 where: short stacking energy: -341.100 Base-Backbone interact. energy: -0.502 local terms energy: -417.265803 where: bonds (distance) C4'-P energy: -74.417 bonds (distance) P-C4' energy: -98.382 flat angles C4'-P-C4' energy: -91.215 flat angles P-C4'-P energy: -62.888 tors. eta vs tors. theta energy: -90.363 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: 7, replica: 7 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -928.565156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.565156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.565156 (E_RNA) where: Base-Base interactions energy: -584.261 where: short stacking energy: -299.565 Base-Backbone interact. energy: -1.894 local terms energy: -342.410800 where: bonds (distance) C4'-P energy: -78.608 bonds (distance) P-C4' energy: -68.542 flat angles C4'-P-C4' energy: -88.613 flat angles P-C4'-P energy: -55.245 tors. eta vs tors. theta energy: -51.403 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: 5 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -629.387365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.387365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.387365 (E_RNA) where: Base-Base interactions energy: -344.162 where: short stacking energy: -201.240 Base-Backbone interact. energy: 1.664 local terms energy: -286.888971 where: bonds (distance) C4'-P energy: -69.531 bonds (distance) P-C4' energy: -79.503 flat angles C4'-P-C4' energy: -70.286 flat angles P-C4'-P energy: -47.364 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: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -547.796904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.796904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.796904 (E_RNA) where: Base-Base interactions energy: -276.612 where: short stacking energy: -156.659 Base-Backbone interact. energy: 0.655 local terms energy: -271.840459 where: bonds (distance) C4'-P energy: -79.633 bonds (distance) P-C4' energy: -69.516 flat angles C4'-P-C4' energy: -71.468 flat angles P-C4'-P energy: -40.623 tors. eta vs tors. theta energy: -10.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -388.680473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.680473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.680473 (E_RNA) where: Base-Base interactions energy: -120.065 where: short stacking energy: -67.160 Base-Backbone interact. energy: 0.798 local terms energy: -269.413404 where: bonds (distance) C4'-P energy: -88.210 bonds (distance) P-C4' energy: -88.884 flat angles C4'-P-C4' energy: -75.000 flat angles P-C4'-P energy: -46.197 tors. eta vs tors. theta energy: 28.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1572.823756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.823756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.823756 (E_RNA) where: Base-Base interactions energy: -1046.247 where: short stacking energy: -482.314 Base-Backbone interact. energy: 0.253 local terms energy: -526.829649 where: bonds (distance) C4'-P energy: -104.365 bonds (distance) P-C4' energy: -91.911 flat angles C4'-P-C4' energy: -115.803 flat angles P-C4'-P energy: -71.396 tors. eta vs tors. theta energy: -143.354 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: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1482.878234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.878234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.878234 (E_RNA) where: Base-Base interactions energy: -972.563 where: short stacking energy: -455.517 Base-Backbone interact. energy: 5.561 local terms energy: -515.875637 where: bonds (distance) C4'-P energy: -89.905 bonds (distance) P-C4' energy: -99.655 flat angles C4'-P-C4' energy: -102.627 flat angles P-C4'-P energy: -77.278 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: 3, replica: 6 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1416.515975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.515975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.515975 (E_RNA) where: Base-Base interactions energy: -946.009 where: short stacking energy: -390.626 Base-Backbone interact. energy: -3.774 local terms energy: -466.733279 where: bonds (distance) C4'-P energy: -89.600 bonds (distance) P-C4' energy: -92.708 flat angles C4'-P-C4' energy: -100.893 flat angles P-C4'-P energy: -78.253 tors. eta vs tors. theta energy: -105.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1289.949285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.949285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.949285 (E_RNA) where: Base-Base interactions energy: -874.619 where: short stacking energy: -384.055 Base-Backbone interact. energy: -1.298 local terms energy: -414.031701 where: bonds (distance) C4'-P energy: -82.107 bonds (distance) P-C4' energy: -76.052 flat angles C4'-P-C4' energy: -102.642 flat angles P-C4'-P energy: -52.364 tors. eta vs tors. theta energy: -100.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1110.564820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.564820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.564820 (E_RNA) where: Base-Base interactions energy: -716.617 where: short stacking energy: -329.180 Base-Backbone interact. energy: -0.531 local terms energy: -393.417746 where: bonds (distance) C4'-P energy: -67.190 bonds (distance) P-C4' energy: -85.615 flat angles C4'-P-C4' energy: -95.130 flat angles P-C4'-P energy: -62.077 tors. eta vs tors. theta energy: -83.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1101.194257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.194257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.194257 (E_RNA) where: Base-Base interactions energy: -704.430 where: short stacking energy: -328.030 Base-Backbone interact. energy: 2.548 local terms energy: -399.312290 where: bonds (distance) C4'-P energy: -90.695 bonds (distance) P-C4' energy: -77.851 flat angles C4'-P-C4' energy: -85.586 flat angles P-C4'-P energy: -60.951 tors. eta vs tors. theta energy: -84.229 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: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -887.124843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.124843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.124843 (E_RNA) where: Base-Base interactions energy: -537.487 where: short stacking energy: -259.545 Base-Backbone interact. energy: -1.264 local terms energy: -348.373352 where: bonds (distance) C4'-P energy: -72.188 bonds (distance) P-C4' energy: -88.805 flat angles C4'-P-C4' energy: -84.013 flat angles P-C4'-P energy: -59.377 tors. eta vs tors. theta energy: -43.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -615.931394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.931394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.931394 (E_RNA) where: Base-Base interactions energy: -298.137 where: short stacking energy: -152.884 Base-Backbone interact. energy: -0.730 local terms energy: -317.063740 where: bonds (distance) C4'-P energy: -81.820 bonds (distance) P-C4' energy: -87.610 flat angles C4'-P-C4' energy: -82.684 flat angles P-C4'-P energy: -47.256 tors. eta vs tors. theta energy: -17.694 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: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -575.564411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.564411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.564411 (E_RNA) where: Base-Base interactions energy: -287.177 where: short stacking energy: -174.850 Base-Backbone interact. energy: 1.463 local terms energy: -289.850766 where: bonds (distance) C4'-P energy: -79.078 bonds (distance) P-C4' energy: -96.964 flat angles C4'-P-C4' energy: -56.497 flat angles P-C4'-P energy: -47.242 tors. eta vs tors. theta energy: -10.070 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: 430 Temperature: 1.350000 Total energy: -356.336671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.336671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.336671 (E_RNA) where: Base-Base interactions energy: -120.246 where: short stacking energy: -106.283 Base-Backbone interact. energy: -0.497 local terms energy: -235.593966 where: bonds (distance) C4'-P energy: -71.733 bonds (distance) P-C4' energy: -86.595 flat angles C4'-P-C4' energy: -57.030 flat angles P-C4'-P energy: -29.197 tors. eta vs tors. theta energy: 8.962 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: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1529.846195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.846195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.846195 (E_RNA) where: Base-Base interactions energy: -1019.049 where: short stacking energy: -458.346 Base-Backbone interact. energy: -2.811 local terms energy: -507.986015 where: bonds (distance) C4'-P energy: -94.280 bonds (distance) P-C4' energy: -95.648 flat angles C4'-P-C4' energy: -102.558 flat angles P-C4'-P energy: -69.501 tors. eta vs tors. theta energy: -146.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1495.446737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.446737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.446737 (E_RNA) where: Base-Base interactions energy: -978.888 where: short stacking energy: -459.282 Base-Backbone interact. energy: -0.628 local terms energy: -515.930511 where: bonds (distance) C4'-P energy: -100.941 bonds (distance) P-C4' energy: -96.955 flat angles C4'-P-C4' energy: -100.005 flat angles P-C4'-P energy: -79.494 tors. eta vs tors. theta energy: -138.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1375.874710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.874710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.874710 (E_RNA) where: Base-Base interactions energy: -946.639 where: short stacking energy: -403.750 Base-Backbone interact. energy: 3.152 local terms energy: -432.386878 where: bonds (distance) C4'-P energy: -87.822 bonds (distance) P-C4' energy: -83.089 flat angles C4'-P-C4' energy: -91.370 flat angles P-C4'-P energy: -60.896 tors. eta vs tors. theta energy: -109.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1314.602643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.602643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.602643 (E_RNA) where: Base-Base interactions energy: -875.721 where: short stacking energy: -384.836 Base-Backbone interact. energy: -0.927 local terms energy: -437.954750 where: bonds (distance) C4'-P energy: -81.809 bonds (distance) P-C4' energy: -95.187 flat angles C4'-P-C4' energy: -87.400 flat angles P-C4'-P energy: -68.926 tors. eta vs tors. theta energy: -104.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1156.105879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.105879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.105879 (E_RNA) where: Base-Base interactions energy: -737.150 where: short stacking energy: -338.625 Base-Backbone interact. energy: -1.461 local terms energy: -417.495224 where: bonds (distance) C4'-P energy: -80.048 bonds (distance) P-C4' energy: -89.801 flat angles C4'-P-C4' energy: -92.479 flat angles P-C4'-P energy: -59.984 tors. eta vs tors. theta energy: -95.184 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: 1 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1082.105915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.105915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.105915 (E_RNA) where: Base-Base interactions energy: -679.770 where: short stacking energy: -346.562 Base-Backbone interact. energy: -3.743 local terms energy: -398.592442 where: bonds (distance) C4'-P energy: -92.440 bonds (distance) P-C4' energy: -85.409 flat angles C4'-P-C4' energy: -83.853 flat angles P-C4'-P energy: -51.256 tors. eta vs tors. theta energy: -85.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -851.053655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.053655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.053655 (E_RNA) where: Base-Base interactions energy: -498.447 where: short stacking energy: -223.236 Base-Backbone interact. energy: -3.369 local terms energy: -349.238147 where: bonds (distance) C4'-P energy: -82.355 bonds (distance) P-C4' energy: -91.523 flat angles C4'-P-C4' energy: -82.223 flat angles P-C4'-P energy: -54.621 tors. eta vs tors. theta energy: -38.516 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: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -646.941909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.941909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.941909 (E_RNA) where: Base-Base interactions energy: -363.974 where: short stacking energy: -179.295 Base-Backbone interact. energy: -1.277 local terms energy: -281.691372 where: bonds (distance) C4'-P energy: -66.278 bonds (distance) P-C4' energy: -77.583 flat angles C4'-P-C4' energy: -87.125 flat angles P-C4'-P energy: -40.744 tors. eta vs tors. theta energy: -9.962 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: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -540.953862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.953862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.953862 (E_RNA) where: Base-Base interactions energy: -285.620 where: short stacking energy: -169.922 Base-Backbone interact. energy: 0.442 local terms energy: -255.775982 where: bonds (distance) C4'-P energy: -87.912 bonds (distance) P-C4' energy: -69.691 flat angles C4'-P-C4' energy: -71.542 flat angles P-C4'-P energy: -32.490 tors. eta vs tors. theta energy: 5.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -397.808061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.808061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.808061 (E_RNA) where: Base-Base interactions energy: -135.793 where: short stacking energy: -102.585 Base-Backbone interact. energy: 1.248 local terms energy: -263.263456 where: bonds (distance) C4'-P energy: -94.210 bonds (distance) P-C4' energy: -82.137 flat angles C4'-P-C4' energy: -69.535 flat angles P-C4'-P energy: -44.580 tors. eta vs tors. theta energy: 27.199 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: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1549.950140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.950140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.950140 (E_RNA) where: Base-Base interactions energy: -1044.942 where: short stacking energy: -457.402 Base-Backbone interact. energy: 0.482 local terms energy: -505.489298 where: bonds (distance) C4'-P energy: -88.022 bonds (distance) P-C4' energy: -100.811 flat angles C4'-P-C4' energy: -106.955 flat angles P-C4'-P energy: -66.916 tors. eta vs tors. theta energy: -142.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1506.652359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.652359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.652359 (E_RNA) where: Base-Base interactions energy: -1002.615 where: short stacking energy: -446.571 Base-Backbone interact. energy: -2.008 local terms energy: -502.028982 where: bonds (distance) C4'-P energy: -92.444 bonds (distance) P-C4' energy: -98.187 flat angles C4'-P-C4' energy: -99.142 flat angles P-C4'-P energy: -76.313 tors. eta vs tors. theta energy: -135.942 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: 3, replica: 6 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1364.890142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.890142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.890142 (E_RNA) where: Base-Base interactions energy: -891.705 where: short stacking energy: -384.817 Base-Backbone interact. energy: -2.029 local terms energy: -471.156242 where: bonds (distance) C4'-P energy: -93.913 bonds (distance) P-C4' energy: -102.015 flat angles C4'-P-C4' energy: -96.499 flat angles P-C4'-P energy: -72.421 tors. eta vs tors. theta energy: -106.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1289.779512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.779512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.779512 (E_RNA) where: Base-Base interactions energy: -841.632 where: short stacking energy: -390.528 Base-Backbone interact. energy: -0.164 local terms energy: -447.983675 where: bonds (distance) C4'-P energy: -79.899 bonds (distance) P-C4' energy: -105.268 flat angles C4'-P-C4' energy: -96.219 flat angles P-C4'-P energy: -69.454 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: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1196.988960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.988960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.988960 (E_RNA) where: Base-Base interactions energy: -768.080 where: short stacking energy: -356.493 Base-Backbone interact. energy: -2.525 local terms energy: -426.383887 where: bonds (distance) C4'-P energy: -87.392 bonds (distance) P-C4' energy: -88.586 flat angles C4'-P-C4' energy: -96.789 flat angles P-C4'-P energy: -53.616 tors. eta vs tors. theta energy: -100.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1046.296825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.296825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.296825 (E_RNA) where: Base-Base interactions energy: -649.379 where: short stacking energy: -319.064 Base-Backbone interact. energy: -3.648 local terms energy: -393.269301 where: bonds (distance) C4'-P energy: -99.232 bonds (distance) P-C4' energy: -77.671 flat angles C4'-P-C4' energy: -99.122 flat angles P-C4'-P energy: -51.315 tors. eta vs tors. theta energy: -65.929 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: 7 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -890.036825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.036825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.036825 (E_RNA) where: Base-Base interactions energy: -568.944 where: short stacking energy: -263.107 Base-Backbone interact. energy: 0.741 local terms energy: -321.834580 where: bonds (distance) C4'-P energy: -71.052 bonds (distance) P-C4' energy: -79.670 flat angles C4'-P-C4' energy: -86.459 flat angles P-C4'-P energy: -47.890 tors. eta vs tors. theta energy: -36.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -744.402567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.402567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.402567 (E_RNA) where: Base-Base interactions energy: -404.931 where: short stacking energy: -196.208 Base-Backbone interact. energy: 1.038 local terms energy: -340.509023 where: bonds (distance) C4'-P energy: -69.601 bonds (distance) P-C4' energy: -86.389 flat angles C4'-P-C4' energy: -92.729 flat angles P-C4'-P energy: -66.556 tors. eta vs tors. theta energy: -25.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -546.323012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.323012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.323012 (E_RNA) where: Base-Base interactions energy: -268.830 where: short stacking energy: -165.169 Base-Backbone interact. energy: 3.137 local terms energy: -280.629584 where: bonds (distance) C4'-P energy: -76.575 bonds (distance) P-C4' energy: -69.850 flat angles C4'-P-C4' energy: -71.063 flat angles P-C4'-P energy: -49.577 tors. eta vs tors. theta energy: -13.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -427.321295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.321295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.321295 (E_RNA) where: Base-Base interactions energy: -195.792 where: short stacking energy: -144.921 Base-Backbone interact. energy: -2.246 local terms energy: -229.282995 where: bonds (distance) C4'-P energy: -68.153 bonds (distance) P-C4' energy: -60.872 flat angles C4'-P-C4' energy: -71.918 flat angles P-C4'-P energy: -35.468 tors. eta vs tors. theta energy: 7.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1569.910304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.910304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.910304 (E_RNA) where: Base-Base interactions energy: -1059.465 where: short stacking energy: -480.612 Base-Backbone interact. energy: -1.853 local terms energy: -508.592343 where: bonds (distance) C4'-P energy: -86.459 bonds (distance) P-C4' energy: -87.681 flat angles C4'-P-C4' energy: -111.427 flat angles P-C4'-P energy: -75.366 tors. eta vs tors. theta energy: -147.659 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: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1486.399279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.399279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.399279 (E_RNA) where: Base-Base interactions energy: -1013.628 where: short stacking energy: -462.650 Base-Backbone interact. energy: 0.509 local terms energy: -473.280472 where: bonds (distance) C4'-P energy: -88.841 bonds (distance) P-C4' energy: -91.391 flat angles C4'-P-C4' energy: -92.867 flat angles P-C4'-P energy: -66.447 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: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1358.076488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.076488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.076488 (E_RNA) where: Base-Base interactions energy: -903.458 where: short stacking energy: -398.999 Base-Backbone interact. energy: 0.746 local terms energy: -455.364122 where: bonds (distance) C4'-P energy: -83.984 bonds (distance) P-C4' energy: -97.985 flat angles C4'-P-C4' energy: -103.826 flat angles P-C4'-P energy: -72.346 tors. eta vs tors. theta energy: -97.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1274.246210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.246210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.246210 (E_RNA) where: Base-Base interactions energy: -819.296 where: short stacking energy: -367.103 Base-Backbone interact. energy: -0.696 local terms energy: -454.254170 where: bonds (distance) C4'-P energy: -93.230 bonds (distance) P-C4' energy: -90.948 flat angles C4'-P-C4' energy: -105.490 flat angles P-C4'-P energy: -75.266 tors. eta vs tors. theta energy: -89.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1168.053476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.053476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.053476 (E_RNA) where: Base-Base interactions energy: -743.133 where: short stacking energy: -334.322 Base-Backbone interact. energy: -2.327 local terms energy: -422.593744 where: bonds (distance) C4'-P energy: -95.323 bonds (distance) P-C4' energy: -73.801 flat angles C4'-P-C4' energy: -93.341 flat angles P-C4'-P energy: -67.132 tors. eta vs tors. theta energy: -92.996 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: 6, replica: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1037.690131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.690131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.690131 (E_RNA) where: Base-Base interactions energy: -633.706 where: short stacking energy: -316.826 Base-Backbone interact. energy: 0.185 local terms energy: -404.169205 where: bonds (distance) C4'-P energy: -94.241 bonds (distance) P-C4' energy: -84.097 flat angles C4'-P-C4' energy: -88.059 flat angles P-C4'-P energy: -53.508 tors. eta vs tors. theta energy: -84.263 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: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -934.437051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.437051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.437051 (E_RNA) where: Base-Base interactions energy: -587.825 where: short stacking energy: -274.189 Base-Backbone interact. energy: 0.568 local terms energy: -347.179281 where: bonds (distance) C4'-P energy: -77.858 bonds (distance) P-C4' energy: -82.950 flat angles C4'-P-C4' energy: -82.868 flat angles P-C4'-P energy: -54.968 tors. eta vs tors. theta energy: -48.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -750.523952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.523952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.523952 (E_RNA) where: Base-Base interactions energy: -434.949 where: short stacking energy: -208.820 Base-Backbone interact. energy: -2.642 local terms energy: -312.933478 where: bonds (distance) C4'-P energy: -71.824 bonds (distance) P-C4' energy: -82.689 flat angles C4'-P-C4' energy: -85.675 flat angles P-C4'-P energy: -51.638 tors. eta vs tors. theta energy: -21.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -553.410632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.410632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.410632 (E_RNA) where: Base-Base interactions energy: -276.227 where: short stacking energy: -148.748 Base-Backbone interact. energy: 2.180 local terms energy: -279.364218 where: bonds (distance) C4'-P energy: -82.073 bonds (distance) P-C4' energy: -77.708 flat angles C4'-P-C4' energy: -67.211 flat angles P-C4'-P energy: -39.437 tors. eta vs tors. theta energy: -12.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -451.177028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.177028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.177028 (E_RNA) where: Base-Base interactions energy: -201.159 where: short stacking energy: -124.515 Base-Backbone interact. energy: 2.640 local terms energy: -252.658491 where: bonds (distance) C4'-P energy: -76.171 bonds (distance) P-C4' energy: -85.118 flat angles C4'-P-C4' energy: -64.742 flat angles P-C4'-P energy: -35.885 tors. eta vs tors. theta energy: 9.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1578.589965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.589965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.589965 (E_RNA) where: Base-Base interactions energy: -1057.716 where: short stacking energy: -464.002 Base-Backbone interact. energy: -0.681 local terms energy: -520.192572 where: bonds (distance) C4'-P energy: -99.873 bonds (distance) P-C4' energy: -95.950 flat angles C4'-P-C4' energy: -113.188 flat angles P-C4'-P energy: -68.178 tors. eta vs tors. theta energy: -143.004 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: 10 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1500.843564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.843564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.843564 (E_RNA) where: Base-Base interactions energy: -978.634 where: short stacking energy: -457.607 Base-Backbone interact. energy: -0.944 local terms energy: -521.265353 where: bonds (distance) C4'-P energy: -97.399 bonds (distance) P-C4' energy: -98.744 flat angles C4'-P-C4' energy: -111.356 flat angles P-C4'-P energy: -71.295 tors. eta vs tors. theta energy: -142.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1349.277594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.277594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.277594 (E_RNA) where: Base-Base interactions energy: -917.691 where: short stacking energy: -387.888 Base-Backbone interact. energy: -3.591 local terms energy: -427.995982 where: bonds (distance) C4'-P energy: -92.624 bonds (distance) P-C4' energy: -81.478 flat angles C4'-P-C4' energy: -101.922 flat angles P-C4'-P energy: -66.401 tors. eta vs tors. theta energy: -85.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1314.247924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.247924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.247924 (E_RNA) where: Base-Base interactions energy: -852.510 where: short stacking energy: -416.997 Base-Backbone interact. energy: 2.950 local terms energy: -464.688178 where: bonds (distance) C4'-P energy: -103.125 bonds (distance) P-C4' energy: -74.598 flat angles C4'-P-C4' energy: -108.531 flat angles P-C4'-P energy: -62.847 tors. eta vs tors. theta energy: -115.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1123.366885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.366885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.366885 (E_RNA) where: Base-Base interactions energy: -711.878 where: short stacking energy: -329.924 Base-Backbone interact. energy: -0.609 local terms energy: -410.879834 where: bonds (distance) C4'-P energy: -78.469 bonds (distance) P-C4' energy: -98.589 flat angles C4'-P-C4' energy: -97.178 flat angles P-C4'-P energy: -53.134 tors. eta vs tors. theta energy: -83.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -992.437678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.437678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.437678 (E_RNA) where: Base-Base interactions energy: -597.917 where: short stacking energy: -307.836 Base-Backbone interact. energy: -1.088 local terms energy: -393.432123 where: bonds (distance) C4'-P energy: -82.491 bonds (distance) P-C4' energy: -87.892 flat angles C4'-P-C4' energy: -90.245 flat angles P-C4'-P energy: -54.309 tors. eta vs tors. theta energy: -78.495 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: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -912.390965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.390965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.390965 (E_RNA) where: Base-Base interactions energy: -548.428 where: short stacking energy: -253.751 Base-Backbone interact. energy: 0.690 local terms energy: -364.652968 where: bonds (distance) C4'-P energy: -76.461 bonds (distance) P-C4' energy: -97.740 flat angles C4'-P-C4' energy: -79.917 flat angles P-C4'-P energy: -60.493 tors. eta vs tors. theta energy: -50.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -739.654019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.654019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.654019 (E_RNA) where: Base-Base interactions energy: -410.082 where: short stacking energy: -188.407 Base-Backbone interact. energy: -2.632 local terms energy: -326.940027 where: bonds (distance) C4'-P energy: -83.594 bonds (distance) P-C4' energy: -102.151 flat angles C4'-P-C4' energy: -72.673 flat angles P-C4'-P energy: -43.768 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: 9, replica: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -553.138145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.138145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.138145 (E_RNA) where: Base-Base interactions energy: -279.493 where: short stacking energy: -181.339 Base-Backbone interact. energy: 4.484 local terms energy: -278.129448 where: bonds (distance) C4'-P energy: -80.339 bonds (distance) P-C4' energy: -81.289 flat angles C4'-P-C4' energy: -61.604 flat angles P-C4'-P energy: -37.927 tors. eta vs tors. theta energy: -16.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -426.894298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.894298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.894298 (E_RNA) where: Base-Base interactions energy: -198.263 where: short stacking energy: -152.737 Base-Backbone interact. energy: 1.591 local terms energy: -230.221986 where: bonds (distance) C4'-P energy: -84.095 bonds (distance) P-C4' energy: -70.847 flat angles C4'-P-C4' energy: -45.763 flat angles P-C4'-P energy: -26.156 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1542.895060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.895060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.895060 (E_RNA) where: Base-Base interactions energy: -1043.595 where: short stacking energy: -454.302 Base-Backbone interact. energy: -1.404 local terms energy: -497.896367 where: bonds (distance) C4'-P energy: -102.772 bonds (distance) P-C4' energy: -93.471 flat angles C4'-P-C4' energy: -101.284 flat angles P-C4'-P energy: -73.506 tors. eta vs tors. theta energy: -126.864 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: 10 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1482.083586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.083586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.083586 (E_RNA) where: Base-Base interactions energy: -980.659 where: short stacking energy: -446.712 Base-Backbone interact. energy: -0.220 local terms energy: -501.204868 where: bonds (distance) C4'-P energy: -96.237 bonds (distance) P-C4' energy: -81.790 flat angles C4'-P-C4' energy: -113.912 flat angles P-C4'-P energy: -66.916 tors. eta vs tors. theta energy: -142.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1315.014310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.014310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.014310 (E_RNA) where: Base-Base interactions energy: -846.198 where: short stacking energy: -365.870 Base-Backbone interact. energy: -1.754 local terms energy: -467.063110 where: bonds (distance) C4'-P energy: -93.981 bonds (distance) P-C4' energy: -96.862 flat angles C4'-P-C4' energy: -104.930 flat angles P-C4'-P energy: -66.330 tors. eta vs tors. theta energy: -104.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1298.119097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.119097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.119097 (E_RNA) where: Base-Base interactions energy: -851.332 where: short stacking energy: -372.720 Base-Backbone interact. energy: 1.505 local terms energy: -448.292266 where: bonds (distance) C4'-P energy: -77.782 bonds (distance) P-C4' energy: -90.788 flat angles C4'-P-C4' energy: -102.885 flat angles P-C4'-P energy: -67.394 tors. eta vs tors. theta energy: -109.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1083.791152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.791152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.791152 (E_RNA) where: Base-Base interactions energy: -668.757 where: short stacking energy: -323.228 Base-Backbone interact. energy: 0.995 local terms energy: -416.028794 where: bonds (distance) C4'-P energy: -95.259 bonds (distance) P-C4' energy: -100.427 flat angles C4'-P-C4' energy: -86.292 flat angles P-C4'-P energy: -63.989 tors. eta vs tors. theta energy: -70.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1036.214576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.214576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.214576 (E_RNA) where: Base-Base interactions energy: -654.478 where: short stacking energy: -289.328 Base-Backbone interact. energy: 4.871 local terms energy: -386.607201 where: bonds (distance) C4'-P energy: -85.242 bonds (distance) P-C4' energy: -84.169 flat angles C4'-P-C4' energy: -96.227 flat angles P-C4'-P energy: -60.487 tors. eta vs tors. theta energy: -60.481 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: 7, replica: 7 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -900.647895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.647895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.647895 (E_RNA) where: Base-Base interactions energy: -557.566 where: short stacking energy: -276.712 Base-Backbone interact. energy: 0.186 local terms energy: -343.268345 where: bonds (distance) C4'-P energy: -76.579 bonds (distance) P-C4' energy: -82.054 flat angles C4'-P-C4' energy: -84.162 flat angles P-C4'-P energy: -55.210 tors. eta vs tors. theta energy: -45.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -754.906967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.906967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.906967 (E_RNA) where: Base-Base interactions energy: -440.935 where: short stacking energy: -235.790 Base-Backbone interact. energy: -3.586 local terms energy: -310.386302 where: bonds (distance) C4'-P energy: -75.909 bonds (distance) P-C4' energy: -87.050 flat angles C4'-P-C4' energy: -70.152 flat angles P-C4'-P energy: -53.186 tors. eta vs tors. theta energy: -24.090 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: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -541.108739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.108739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.108739 (E_RNA) where: Base-Base interactions energy: -259.456 where: short stacking energy: -146.950 Base-Backbone interact. energy: -1.157 local terms energy: -280.495498 where: bonds (distance) C4'-P energy: -80.911 bonds (distance) P-C4' energy: -76.821 flat angles C4'-P-C4' energy: -73.390 flat angles P-C4'-P energy: -44.041 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -423.174936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.174936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.174936 (E_RNA) where: Base-Base interactions energy: -167.940 where: short stacking energy: -121.020 Base-Backbone interact. energy: 0.743 local terms energy: -255.978130 where: bonds (distance) C4'-P energy: -86.099 bonds (distance) P-C4' energy: -82.934 flat angles C4'-P-C4' energy: -66.379 flat angles P-C4'-P energy: -32.068 tors. eta vs tors. theta energy: 11.501 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: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1549.938602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.938602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.938602 (E_RNA) where: Base-Base interactions energy: -1044.119 where: short stacking energy: -449.901 Base-Backbone interact. energy: -3.426 local terms energy: -502.393070 where: bonds (distance) C4'-P energy: -103.597 bonds (distance) P-C4' energy: -91.405 flat angles C4'-P-C4' energy: -111.049 flat angles P-C4'-P energy: -57.016 tors. eta vs tors. theta energy: -139.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1475.770518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.770518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.770518 (E_RNA) where: Base-Base interactions energy: -979.900 where: short stacking energy: -452.357 Base-Backbone interact. energy: -0.976 local terms energy: -494.894395 where: bonds (distance) C4'-P energy: -100.268 bonds (distance) P-C4' energy: -86.298 flat angles C4'-P-C4' energy: -100.341 flat angles P-C4'-P energy: -66.685 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: 4 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1322.467774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.467774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.467774 (E_RNA) where: Base-Base interactions energy: -870.646 where: short stacking energy: -388.068 Base-Backbone interact. energy: -0.960 local terms energy: -450.861811 where: bonds (distance) C4'-P energy: -82.671 bonds (distance) P-C4' energy: -89.592 flat angles C4'-P-C4' energy: -102.114 flat angles P-C4'-P energy: -60.983 tors. eta vs tors. theta energy: -115.502 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: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1327.776717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.776717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.776717 (E_RNA) where: Base-Base interactions energy: -890.953 where: short stacking energy: -374.110 Base-Backbone interact. energy: -1.788 local terms energy: -435.035835 where: bonds (distance) C4'-P energy: -85.431 bonds (distance) P-C4' energy: -88.927 flat angles C4'-P-C4' energy: -99.572 flat angles P-C4'-P energy: -54.164 tors. eta vs tors. theta energy: -106.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1096.668178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.668178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.668178 (E_RNA) where: Base-Base interactions energy: -684.717 where: short stacking energy: -338.497 Base-Backbone interact. energy: -2.006 local terms energy: -409.945231 where: bonds (distance) C4'-P energy: -87.192 bonds (distance) P-C4' energy: -87.331 flat angles C4'-P-C4' energy: -86.124 flat angles P-C4'-P energy: -58.407 tors. eta vs tors. theta energy: -90.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1027.585704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.585704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.585704 (E_RNA) where: Base-Base interactions energy: -647.657 where: short stacking energy: -307.777 Base-Backbone interact. energy: -2.824 local terms energy: -377.104642 where: bonds (distance) C4'-P energy: -86.097 bonds (distance) P-C4' energy: -76.505 flat angles C4'-P-C4' energy: -89.731 flat angles P-C4'-P energy: -55.152 tors. eta vs tors. theta energy: -69.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -917.758018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.758018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.758018 (E_RNA) where: Base-Base interactions energy: -573.261 where: short stacking energy: -262.937 Base-Backbone interact. energy: -1.529 local terms energy: -342.967947 where: bonds (distance) C4'-P energy: -70.795 bonds (distance) P-C4' energy: -74.103 flat angles C4'-P-C4' energy: -88.976 flat angles P-C4'-P energy: -48.343 tors. eta vs tors. theta energy: -60.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -746.634084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.634084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.634084 (E_RNA) where: Base-Base interactions energy: -429.999 where: short stacking energy: -211.218 Base-Backbone interact. energy: 0.025 local terms energy: -316.659698 where: bonds (distance) C4'-P energy: -61.170 bonds (distance) P-C4' energy: -93.429 flat angles C4'-P-C4' energy: -80.282 flat angles P-C4'-P energy: -51.005 tors. eta vs tors. theta energy: -30.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -533.123435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.123435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.123435 (E_RNA) where: Base-Base interactions energy: -258.301 where: short stacking energy: -160.947 Base-Backbone interact. energy: -1.947 local terms energy: -272.875370 where: bonds (distance) C4'-P energy: -77.063 bonds (distance) P-C4' energy: -81.927 flat angles C4'-P-C4' energy: -70.155 flat angles P-C4'-P energy: -50.129 tors. eta vs tors. theta energy: 6.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -431.974427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.974427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.974427 (E_RNA) where: Base-Base interactions energy: -163.747 where: short stacking energy: -120.508 Base-Backbone interact. energy: -1.626 local terms energy: -266.601256 where: bonds (distance) C4'-P energy: -72.642 bonds (distance) P-C4' energy: -82.718 flat angles C4'-P-C4' energy: -87.114 flat angles P-C4'-P energy: -35.632 tors. eta vs tors. theta energy: 11.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1556.410909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.410909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.410909 (E_RNA) where: Base-Base interactions energy: -1043.591 where: short stacking energy: -454.547 Base-Backbone interact. energy: -1.790 local terms energy: -511.029849 where: bonds (distance) C4'-P energy: -91.047 bonds (distance) P-C4' energy: -96.111 flat angles C4'-P-C4' energy: -107.974 flat angles P-C4'-P energy: -71.570 tors. eta vs tors. theta energy: -144.328 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: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1467.636148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.636148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.636148 (E_RNA) where: Base-Base interactions energy: -961.685 where: short stacking energy: -433.457 Base-Backbone interact. energy: -1.496 local terms energy: -504.455565 where: bonds (distance) C4'-P energy: -83.491 bonds (distance) P-C4' energy: -95.161 flat angles C4'-P-C4' energy: -111.455 flat angles P-C4'-P energy: -79.666 tors. eta vs tors. theta energy: -134.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1331.876141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.876141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.876141 (E_RNA) where: Base-Base interactions energy: -874.944 where: short stacking energy: -404.649 Base-Backbone interact. energy: -0.865 local terms energy: -456.067401 where: bonds (distance) C4'-P energy: -95.402 bonds (distance) P-C4' energy: -86.372 flat angles C4'-P-C4' energy: -95.966 flat angles P-C4'-P energy: -66.962 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: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1299.345613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.345613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.345613 (E_RNA) where: Base-Base interactions energy: -860.002 where: short stacking energy: -362.093 Base-Backbone interact. energy: -4.835 local terms energy: -434.508433 where: bonds (distance) C4'-P energy: -83.522 bonds (distance) P-C4' energy: -93.451 flat angles C4'-P-C4' energy: -96.559 flat angles P-C4'-P energy: -54.606 tors. eta vs tors. theta energy: -106.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1096.536912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.536912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.536912 (E_RNA) where: Base-Base interactions energy: -689.580 where: short stacking energy: -334.683 Base-Backbone interact. energy: -1.661 local terms energy: -405.295688 where: bonds (distance) C4'-P energy: -65.310 bonds (distance) P-C4' energy: -89.506 flat angles C4'-P-C4' energy: -102.531 flat angles P-C4'-P energy: -66.766 tors. eta vs tors. theta energy: -81.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -936.477847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.477847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.477847 (E_RNA) where: Base-Base interactions energy: -589.146 where: short stacking energy: -275.371 Base-Backbone interact. energy: 1.354 local terms energy: -348.686221 where: bonds (distance) C4'-P energy: -82.438 bonds (distance) P-C4' energy: -82.087 flat angles C4'-P-C4' energy: -84.353 flat angles P-C4'-P energy: -53.149 tors. eta vs tors. theta energy: -46.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -981.131671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.131671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.131671 (E_RNA) where: Base-Base interactions energy: -598.740 where: short stacking energy: -297.061 Base-Backbone interact. energy: 2.210 local terms energy: -384.601776 where: bonds (distance) C4'-P energy: -87.595 bonds (distance) P-C4' energy: -95.304 flat angles C4'-P-C4' energy: -75.640 flat angles P-C4'-P energy: -52.742 tors. eta vs tors. theta energy: -73.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -712.429407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.429407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.429407 (E_RNA) where: Base-Base interactions energy: -417.578 where: short stacking energy: -208.679 Base-Backbone interact. energy: 2.035 local terms energy: -296.886068 where: bonds (distance) C4'-P energy: -78.703 bonds (distance) P-C4' energy: -89.394 flat angles C4'-P-C4' energy: -69.266 flat angles P-C4'-P energy: -38.273 tors. eta vs tors. theta energy: -21.250 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: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -527.467379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.467379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.467379 (E_RNA) where: Base-Base interactions energy: -245.820 where: short stacking energy: -148.972 Base-Backbone interact. energy: -2.096 local terms energy: -279.551417 where: bonds (distance) C4'-P energy: -78.504 bonds (distance) P-C4' energy: -93.530 flat angles C4'-P-C4' energy: -73.269 flat angles P-C4'-P energy: -35.077 tors. eta vs tors. theta energy: 0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -418.257246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.257246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.257246 (E_RNA) where: Base-Base interactions energy: -172.256 where: short stacking energy: -112.947 Base-Backbone interact. energy: 3.122 local terms energy: -249.123318 where: bonds (distance) C4'-P energy: -69.506 bonds (distance) P-C4' energy: -80.139 flat angles C4'-P-C4' energy: -76.840 flat angles P-C4'-P energy: -52.863 tors. eta vs tors. theta energy: 30.224 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: 1, replica: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1545.383887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.383887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.383887 (E_RNA) where: Base-Base interactions energy: -1059.682 where: short stacking energy: -456.394 Base-Backbone interact. energy: -5.956 local terms energy: -479.746121 where: bonds (distance) C4'-P energy: -97.277 bonds (distance) P-C4' energy: -81.701 flat angles C4'-P-C4' energy: -103.549 flat angles P-C4'-P energy: -63.603 tors. eta vs tors. theta energy: -133.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1454.255773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.255773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.255773 (E_RNA) where: Base-Base interactions energy: -978.776 where: short stacking energy: -426.795 Base-Backbone interact. energy: -2.333 local terms energy: -473.146701 where: bonds (distance) C4'-P energy: -85.740 bonds (distance) P-C4' energy: -84.437 flat angles C4'-P-C4' energy: -104.084 flat angles P-C4'-P energy: -68.251 tors. eta vs tors. theta energy: -130.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1354.487139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.487139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.487139 (E_RNA) where: Base-Base interactions energy: -919.268 where: short stacking energy: -442.992 Base-Backbone interact. energy: -1.002 local terms energy: -434.217037 where: bonds (distance) C4'-P energy: -69.521 bonds (distance) P-C4' energy: -88.054 flat angles C4'-P-C4' energy: -104.071 flat angles P-C4'-P energy: -61.512 tors. eta vs tors. theta energy: -111.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1250.543656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.543656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.543656 (E_RNA) where: Base-Base interactions energy: -830.782 where: short stacking energy: -359.683 Base-Backbone interact. energy: -3.144 local terms energy: -416.617516 where: bonds (distance) C4'-P energy: -74.276 bonds (distance) P-C4' energy: -97.428 flat angles C4'-P-C4' energy: -85.435 flat angles P-C4'-P energy: -65.299 tors. eta vs tors. theta energy: -94.180 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: 5, replica: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1162.618824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.618824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.618824 (E_RNA) where: Base-Base interactions energy: -724.047 where: short stacking energy: -350.652 Base-Backbone interact. energy: 0.002 local terms energy: -438.574458 where: bonds (distance) C4'-P energy: -87.715 bonds (distance) P-C4' energy: -92.573 flat angles C4'-P-C4' energy: -95.388 flat angles P-C4'-P energy: -60.135 tors. eta vs tors. theta energy: -102.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -941.837008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.837008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.837008 (E_RNA) where: Base-Base interactions energy: -581.887 where: short stacking energy: -257.085 Base-Backbone interact. energy: 3.486 local terms energy: -363.435920 where: bonds (distance) C4'-P energy: -81.307 bonds (distance) P-C4' energy: -88.593 flat angles C4'-P-C4' energy: -86.447 flat angles P-C4'-P energy: -53.798 tors. eta vs tors. theta energy: -53.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -955.043594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.043594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.043594 (E_RNA) where: Base-Base interactions energy: -584.351 where: short stacking energy: -284.044 Base-Backbone interact. energy: 2.192 local terms energy: -372.884239 where: bonds (distance) C4'-P energy: -75.356 bonds (distance) P-C4' energy: -82.865 flat angles C4'-P-C4' energy: -84.584 flat angles P-C4'-P energy: -63.810 tors. eta vs tors. theta energy: -66.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -766.469681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.469681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.469681 (E_RNA) where: Base-Base interactions energy: -466.950 where: short stacking energy: -232.984 Base-Backbone interact. energy: 3.795 local terms energy: -303.314853 where: bonds (distance) C4'-P energy: -65.564 bonds (distance) P-C4' energy: -92.765 flat angles C4'-P-C4' energy: -81.098 flat angles P-C4'-P energy: -35.858 tors. eta vs tors. theta energy: -28.030 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: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -551.791515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.791515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.791515 (E_RNA) where: Base-Base interactions energy: -258.617 where: short stacking energy: -162.730 Base-Backbone interact. energy: 0.674 local terms energy: -293.848933 where: bonds (distance) C4'-P energy: -84.614 bonds (distance) P-C4' energy: -84.159 flat angles C4'-P-C4' energy: -63.423 flat angles P-C4'-P energy: -42.906 tors. eta vs tors. theta energy: -18.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -435.447163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.447163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.447163 (E_RNA) where: Base-Base interactions energy: -184.440 where: short stacking energy: -118.882 Base-Backbone interact. energy: 0.970 local terms energy: -251.976327 where: bonds (distance) C4'-P energy: -74.495 bonds (distance) P-C4' energy: -70.456 flat angles C4'-P-C4' energy: -81.804 flat angles P-C4'-P energy: -42.558 tors. eta vs tors. theta energy: 17.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1526.606264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.606264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.606264 (E_RNA) where: Base-Base interactions energy: -1021.361 where: short stacking energy: -454.099 Base-Backbone interact. energy: -1.895 local terms energy: -503.350886 where: bonds (distance) C4'-P energy: -94.564 bonds (distance) P-C4' energy: -105.803 flat angles C4'-P-C4' energy: -105.432 flat angles P-C4'-P energy: -69.506 tors. eta vs tors. theta energy: -128.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1441.282419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.282419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.282419 (E_RNA) where: Base-Base interactions energy: -974.604 where: short stacking energy: -431.171 Base-Backbone interact. energy: 0.780 local terms energy: -467.459064 where: bonds (distance) C4'-P energy: -100.068 bonds (distance) P-C4' energy: -84.271 flat angles C4'-P-C4' energy: -101.738 flat angles P-C4'-P energy: -60.577 tors. eta vs tors. theta energy: -120.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1344.340713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.340713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.340713 (E_RNA) where: Base-Base interactions energy: -880.052 where: short stacking energy: -405.442 Base-Backbone interact. energy: -2.589 local terms energy: -461.699686 where: bonds (distance) C4'-P energy: -102.120 bonds (distance) P-C4' energy: -101.663 flat angles C4'-P-C4' energy: -97.137 flat angles P-C4'-P energy: -49.286 tors. eta vs tors. theta energy: -111.494 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: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1231.271731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.271731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.271731 (E_RNA) where: Base-Base interactions energy: -822.725 where: short stacking energy: -358.615 Base-Backbone interact. energy: -1.917 local terms energy: -406.630451 where: bonds (distance) C4'-P energy: -81.248 bonds (distance) P-C4' energy: -82.062 flat angles C4'-P-C4' energy: -103.649 flat angles P-C4'-P energy: -56.946 tors. eta vs tors. theta energy: -82.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1119.808283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.808283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.808283 (E_RNA) where: Base-Base interactions energy: -726.542 where: short stacking energy: -321.438 Base-Backbone interact. energy: -1.159 local terms energy: -392.107736 where: bonds (distance) C4'-P energy: -75.059 bonds (distance) P-C4' energy: -81.851 flat angles C4'-P-C4' energy: -95.678 flat angles P-C4'-P energy: -53.280 tors. eta vs tors. theta energy: -86.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1014.893042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.893042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.893042 (E_RNA) where: Base-Base interactions energy: -617.154 where: short stacking energy: -286.685 Base-Backbone interact. energy: -0.132 local terms energy: -397.607236 where: bonds (distance) C4'-P energy: -96.466 bonds (distance) P-C4' energy: -82.010 flat angles C4'-P-C4' energy: -95.262 flat angles P-C4'-P energy: -65.899 tors. eta vs tors. theta energy: -57.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -945.909813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.909813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.909813 (E_RNA) where: Base-Base interactions energy: -590.936 where: short stacking energy: -285.802 Base-Backbone interact. energy: -0.585 local terms energy: -354.389156 where: bonds (distance) C4'-P energy: -86.282 bonds (distance) P-C4' energy: -90.234 flat angles C4'-P-C4' energy: -79.647 flat angles P-C4'-P energy: -40.734 tors. eta vs tors. theta energy: -57.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -733.469993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.469993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.469993 (E_RNA) where: Base-Base interactions energy: -432.057 where: short stacking energy: -207.833 Base-Backbone interact. energy: 2.264 local terms energy: -303.676886 where: bonds (distance) C4'-P energy: -78.321 bonds (distance) P-C4' energy: -83.964 flat angles C4'-P-C4' energy: -81.404 flat angles P-C4'-P energy: -43.487 tors. eta vs tors. theta energy: -16.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -555.458278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.458278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.458278 (E_RNA) where: Base-Base interactions energy: -275.872 where: short stacking energy: -167.790 Base-Backbone interact. energy: 2.761 local terms energy: -282.347770 where: bonds (distance) C4'-P energy: -71.150 bonds (distance) P-C4' energy: -84.683 flat angles C4'-P-C4' energy: -70.258 flat angles P-C4'-P energy: -54.190 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -420.150842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.150842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.150842 (E_RNA) where: Base-Base interactions energy: -169.292 where: short stacking energy: -110.787 Base-Backbone interact. energy: -0.920 local terms energy: -249.939119 where: bonds (distance) C4'-P energy: -77.841 bonds (distance) P-C4' energy: -76.962 flat angles C4'-P-C4' energy: -62.648 flat angles P-C4'-P energy: -46.964 tors. eta vs tors. theta energy: 14.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1519.824496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.824496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.824496 (E_RNA) where: Base-Base interactions energy: -1012.311 where: short stacking energy: -454.701 Base-Backbone interact. energy: -1.328 local terms energy: -506.185533 where: bonds (distance) C4'-P energy: -93.152 bonds (distance) P-C4' energy: -107.461 flat angles C4'-P-C4' energy: -98.771 flat angles P-C4'-P energy: -68.076 tors. eta vs tors. theta energy: -138.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1448.269256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.269256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.269256 (E_RNA) where: Base-Base interactions energy: -956.691 where: short stacking energy: -426.424 Base-Backbone interact. energy: -2.175 local terms energy: -489.403479 where: bonds (distance) C4'-P energy: -87.741 bonds (distance) P-C4' energy: -102.045 flat angles C4'-P-C4' energy: -102.407 flat angles P-C4'-P energy: -68.325 tors. eta vs tors. theta energy: -128.886 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: 4 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1347.881742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.881742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.881742 (E_RNA) where: Base-Base interactions energy: -882.543 where: short stacking energy: -396.483 Base-Backbone interact. energy: -3.762 local terms energy: -461.576689 where: bonds (distance) C4'-P energy: -91.051 bonds (distance) P-C4' energy: -99.581 flat angles C4'-P-C4' energy: -101.087 flat angles P-C4'-P energy: -50.324 tors. eta vs tors. theta energy: -119.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1281.762612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.762612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.762612 (E_RNA) where: Base-Base interactions energy: -835.556 where: short stacking energy: -372.954 Base-Backbone interact. energy: -3.483 local terms energy: -442.724110 where: bonds (distance) C4'-P energy: -89.803 bonds (distance) P-C4' energy: -91.679 flat angles C4'-P-C4' energy: -97.617 flat angles P-C4'-P energy: -61.622 tors. eta vs tors. theta energy: -102.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1103.153739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.153739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.153739 (E_RNA) where: Base-Base interactions energy: -698.071 where: short stacking energy: -327.354 Base-Backbone interact. energy: 0.901 local terms energy: -405.983575 where: bonds (distance) C4'-P energy: -95.379 bonds (distance) P-C4' energy: -92.821 flat angles C4'-P-C4' energy: -77.584 flat angles P-C4'-P energy: -54.497 tors. eta vs tors. theta energy: -85.702 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: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -939.660473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.660473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.660473 (E_RNA) where: Base-Base interactions energy: -557.347 where: short stacking energy: -264.190 Base-Backbone interact. energy: -2.296 local terms energy: -380.017696 where: bonds (distance) C4'-P energy: -92.843 bonds (distance) P-C4' energy: -91.652 flat angles C4'-P-C4' energy: -80.343 flat angles P-C4'-P energy: -56.531 tors. eta vs tors. theta energy: -58.649 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: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -917.423865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.423865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.423865 (E_RNA) where: Base-Base interactions energy: -559.965 where: short stacking energy: -256.359 Base-Backbone interact. energy: -2.155 local terms energy: -355.304343 where: bonds (distance) C4'-P energy: -74.897 bonds (distance) P-C4' energy: -83.075 flat angles C4'-P-C4' energy: -87.680 flat angles P-C4'-P energy: -64.571 tors. eta vs tors. theta energy: -45.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -701.813582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.813582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.813582 (E_RNA) where: Base-Base interactions energy: -379.807 where: short stacking energy: -201.508 Base-Backbone interact. energy: 2.786 local terms energy: -324.792612 where: bonds (distance) C4'-P energy: -80.472 bonds (distance) P-C4' energy: -81.874 flat angles C4'-P-C4' energy: -85.714 flat angles P-C4'-P energy: -47.467 tors. eta vs tors. theta energy: -29.265 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: 9, replica: 3 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -559.146895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.146895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.146895 (E_RNA) where: Base-Base interactions energy: -284.806 where: short stacking energy: -145.731 Base-Backbone interact. energy: -2.873 local terms energy: -271.468436 where: bonds (distance) C4'-P energy: -83.759 bonds (distance) P-C4' energy: -90.041 flat angles C4'-P-C4' energy: -57.063 flat angles P-C4'-P energy: -37.937 tors. eta vs tors. theta energy: -2.668 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: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -425.480144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.480144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.480144 (E_RNA) where: Base-Base interactions energy: -172.110 where: short stacking energy: -111.253 Base-Backbone interact. energy: 4.121 local terms energy: -257.490865 where: bonds (distance) C4'-P energy: -78.358 bonds (distance) P-C4' energy: -74.382 flat angles C4'-P-C4' energy: -55.668 flat angles P-C4'-P energy: -48.633 tors. eta vs tors. theta energy: -0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1511.782698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.782698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.782698 (E_RNA) where: Base-Base interactions energy: -1021.914 where: short stacking energy: -415.334 Base-Backbone interact. energy: -0.802 local terms energy: -489.066585 where: bonds (distance) C4'-P energy: -101.467 bonds (distance) P-C4' energy: -94.037 flat angles C4'-P-C4' energy: -97.562 flat angles P-C4'-P energy: -69.755 tors. eta vs tors. theta energy: -126.245 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: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1462.479504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.479504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.479504 (E_RNA) where: Base-Base interactions energy: -976.555 where: short stacking energy: -423.065 Base-Backbone interact. energy: -1.107 local terms energy: -484.817458 where: bonds (distance) C4'-P energy: -95.400 bonds (distance) P-C4' energy: -83.375 flat angles C4'-P-C4' energy: -103.281 flat angles P-C4'-P energy: -68.634 tors. eta vs tors. theta energy: -134.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1418.486697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.486697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.486697 (E_RNA) where: Base-Base interactions energy: -944.589 where: short stacking energy: -406.282 Base-Backbone interact. energy: -1.764 local terms energy: -472.133778 where: bonds (distance) C4'-P energy: -88.511 bonds (distance) P-C4' energy: -86.212 flat angles C4'-P-C4' energy: -105.662 flat angles P-C4'-P energy: -62.734 tors. eta vs tors. theta energy: -129.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1243.523330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.523330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.523330 (E_RNA) where: Base-Base interactions energy: -799.974 where: short stacking energy: -349.294 Base-Backbone interact. energy: 3.145 local terms energy: -446.694621 where: bonds (distance) C4'-P energy: -85.065 bonds (distance) P-C4' energy: -101.250 flat angles C4'-P-C4' energy: -94.427 flat angles P-C4'-P energy: -78.585 tors. eta vs tors. theta energy: -87.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1116.477098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.477098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.477098 (E_RNA) where: Base-Base interactions energy: -699.473 where: short stacking energy: -325.642 Base-Backbone interact. energy: -0.423 local terms energy: -416.581344 where: bonds (distance) C4'-P energy: -76.272 bonds (distance) P-C4' energy: -99.651 flat angles C4'-P-C4' energy: -94.924 flat angles P-C4'-P energy: -60.685 tors. eta vs tors. theta energy: -85.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -952.956156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.956156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.956156 (E_RNA) where: Base-Base interactions energy: -577.393 where: short stacking energy: -289.697 Base-Backbone interact. energy: -1.328 local terms energy: -374.235645 where: bonds (distance) C4'-P energy: -86.080 bonds (distance) P-C4' energy: -75.385 flat angles C4'-P-C4' energy: -83.333 flat angles P-C4'-P energy: -68.178 tors. eta vs tors. theta energy: -61.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -902.231326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.231326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.231326 (E_RNA) where: Base-Base interactions energy: -558.735 where: short stacking energy: -275.968 Base-Backbone interact. energy: -0.013 local terms energy: -343.483381 where: bonds (distance) C4'-P energy: -83.546 bonds (distance) P-C4' energy: -71.224 flat angles C4'-P-C4' energy: -79.996 flat angles P-C4'-P energy: -54.544 tors. eta vs tors. theta energy: -54.173 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: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -756.557267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.557267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.557267 (E_RNA) where: Base-Base interactions energy: -460.493 where: short stacking energy: -219.445 Base-Backbone interact. energy: -0.016 local terms energy: -296.047973 where: bonds (distance) C4'-P energy: -69.129 bonds (distance) P-C4' energy: -70.628 flat angles C4'-P-C4' energy: -76.327 flat angles P-C4'-P energy: -44.396 tors. eta vs tors. theta energy: -35.567 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: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -579.858707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.858707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.858707 (E_RNA) where: Base-Base interactions energy: -292.758 where: short stacking energy: -183.509 Base-Backbone interact. energy: -0.089 local terms energy: -287.012405 where: bonds (distance) C4'-P energy: -65.651 bonds (distance) P-C4' energy: -79.823 flat angles C4'-P-C4' energy: -80.186 flat angles P-C4'-P energy: -52.476 tors. eta vs tors. theta energy: -8.877 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: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -418.497094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.497094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.497094 (E_RNA) where: Base-Base interactions energy: -172.539 where: short stacking energy: -140.389 Base-Backbone interact. energy: 1.116 local terms energy: -247.074462 where: bonds (distance) C4'-P energy: -75.213 bonds (distance) P-C4' energy: -73.807 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -41.219 tors. eta vs tors. theta energy: 6.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1562.255377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.255377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.255377 (E_RNA) where: Base-Base interactions energy: -1071.407 where: short stacking energy: -452.405 Base-Backbone interact. energy: -3.839 local terms energy: -487.009791 where: bonds (distance) C4'-P energy: -96.356 bonds (distance) P-C4' energy: -87.523 flat angles C4'-P-C4' energy: -101.243 flat angles P-C4'-P energy: -65.207 tors. eta vs tors. theta energy: -136.682 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: 10 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1432.923969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.923969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.923969 (E_RNA) where: Base-Base interactions energy: -932.979 where: short stacking energy: -421.146 Base-Backbone interact. energy: -2.489 local terms energy: -497.455778 where: bonds (distance) C4'-P energy: -95.601 bonds (distance) P-C4' energy: -93.403 flat angles C4'-P-C4' energy: -108.228 flat angles P-C4'-P energy: -71.708 tors. eta vs tors. theta energy: -128.515 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: 4 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1381.656999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.656999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.656999 (E_RNA) where: Base-Base interactions energy: -886.784 where: short stacking energy: -423.334 Base-Backbone interact. energy: 4.200 local terms energy: -499.073161 where: bonds (distance) C4'-P energy: -92.176 bonds (distance) P-C4' energy: -99.402 flat angles C4'-P-C4' energy: -105.624 flat angles P-C4'-P energy: -69.976 tors. eta vs tors. theta energy: -131.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1290.989585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.989585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.989585 (E_RNA) where: Base-Base interactions energy: -880.421 where: short stacking energy: -357.175 Base-Backbone interact. energy: -4.510 local terms energy: -406.059095 where: bonds (distance) C4'-P energy: -82.157 bonds (distance) P-C4' energy: -81.968 flat angles C4'-P-C4' energy: -99.272 flat angles P-C4'-P energy: -51.258 tors. eta vs tors. theta energy: -91.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1139.290301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.290301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.290301 (E_RNA) where: Base-Base interactions energy: -716.749 where: short stacking energy: -341.865 Base-Backbone interact. energy: -2.303 local terms energy: -420.238049 where: bonds (distance) C4'-P energy: -94.414 bonds (distance) P-C4' energy: -95.427 flat angles C4'-P-C4' energy: -91.874 flat angles P-C4'-P energy: -45.752 tors. eta vs tors. theta energy: -92.771 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: 6, replica: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -989.241380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.241380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.241380 (E_RNA) where: Base-Base interactions energy: -603.787 where: short stacking energy: -276.845 Base-Backbone interact. energy: -1.525 local terms energy: -383.929150 where: bonds (distance) C4'-P energy: -90.210 bonds (distance) P-C4' energy: -94.171 flat angles C4'-P-C4' energy: -92.960 flat angles P-C4'-P energy: -52.826 tors. eta vs tors. theta energy: -53.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -871.884153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.884153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.884153 (E_RNA) where: Base-Base interactions energy: -531.035 where: short stacking energy: -272.334 Base-Backbone interact. energy: -1.601 local terms energy: -339.248043 where: bonds (distance) C4'-P energy: -69.449 bonds (distance) P-C4' energy: -89.553 flat angles C4'-P-C4' energy: -77.903 flat angles P-C4'-P energy: -49.711 tors. eta vs tors. theta energy: -52.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -720.189648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.189648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.189648 (E_RNA) where: Base-Base interactions energy: -389.850 where: short stacking energy: -199.667 Base-Backbone interact. energy: -0.541 local terms energy: -329.798740 where: bonds (distance) C4'-P energy: -80.355 bonds (distance) P-C4' energy: -92.079 flat angles C4'-P-C4' energy: -72.783 flat angles P-C4'-P energy: -51.563 tors. eta vs tors. theta energy: -33.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -595.550065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.550065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.550065 (E_RNA) where: Base-Base interactions energy: -311.295 where: short stacking energy: -181.372 Base-Backbone interact. energy: -2.193 local terms energy: -282.062427 where: bonds (distance) C4'-P energy: -78.428 bonds (distance) P-C4' energy: -82.562 flat angles C4'-P-C4' energy: -69.416 flat angles P-C4'-P energy: -38.549 tors. eta vs tors. theta energy: -13.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -394.107636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.107636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.107636 (E_RNA) where: Base-Base interactions energy: -160.230 where: short stacking energy: -121.436 Base-Backbone interact. energy: -1.946 local terms energy: -231.931502 where: bonds (distance) C4'-P energy: -56.050 bonds (distance) P-C4' energy: -80.271 flat angles C4'-P-C4' energy: -65.699 flat angles P-C4'-P energy: -46.114 tors. eta vs tors. theta energy: 16.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1571.047781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.047781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.047781 (E_RNA) where: Base-Base interactions energy: -1029.108 where: short stacking energy: -460.271 Base-Backbone interact. energy: -1.152 local terms energy: -540.788213 where: bonds (distance) C4'-P energy: -106.729 bonds (distance) P-C4' energy: -103.576 flat angles C4'-P-C4' energy: -111.229 flat angles P-C4'-P energy: -76.288 tors. eta vs tors. theta energy: -142.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1471.206599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.206599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.206599 (E_RNA) where: Base-Base interactions energy: -983.961 where: short stacking energy: -451.405 Base-Backbone interact. energy: 2.061 local terms energy: -489.306933 where: bonds (distance) C4'-P energy: -92.653 bonds (distance) P-C4' energy: -95.711 flat angles C4'-P-C4' energy: -98.396 flat angles P-C4'-P energy: -65.247 tors. eta vs tors. theta energy: -137.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1357.686192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.686192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.686192 (E_RNA) where: Base-Base interactions energy: -901.313 where: short stacking energy: -396.456 Base-Backbone interact. energy: -2.043 local terms energy: -454.330668 where: bonds (distance) C4'-P energy: -94.615 bonds (distance) P-C4' energy: -92.769 flat angles C4'-P-C4' energy: -92.526 flat angles P-C4'-P energy: -62.888 tors. eta vs tors. theta energy: -111.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1312.100781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.100781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.100781 (E_RNA) where: Base-Base interactions energy: -889.714 where: short stacking energy: -378.582 Base-Backbone interact. energy: -5.547 local terms energy: -416.839931 where: bonds (distance) C4'-P energy: -86.102 bonds (distance) P-C4' energy: -78.717 flat angles C4'-P-C4' energy: -99.588 flat angles P-C4'-P energy: -47.535 tors. eta vs tors. theta energy: -104.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1096.850124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.850124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.850124 (E_RNA) where: Base-Base interactions energy: -692.174 where: short stacking energy: -327.345 Base-Backbone interact. energy: -0.101 local terms energy: -404.575351 where: bonds (distance) C4'-P energy: -90.412 bonds (distance) P-C4' energy: -98.603 flat angles C4'-P-C4' energy: -101.617 flat angles P-C4'-P energy: -43.452 tors. eta vs tors. theta energy: -70.492 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: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -991.857971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.857971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.857971 (E_RNA) where: Base-Base interactions energy: -620.653 where: short stacking energy: -283.583 Base-Backbone interact. energy: -4.068 local terms energy: -367.136732 where: bonds (distance) C4'-P energy: -84.992 bonds (distance) P-C4' energy: -75.989 flat angles C4'-P-C4' energy: -84.121 flat angles P-C4'-P energy: -63.255 tors. eta vs tors. theta energy: -58.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -859.811625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.811625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.811625 (E_RNA) where: Base-Base interactions energy: -521.503 where: short stacking energy: -274.494 Base-Backbone interact. energy: -0.218 local terms energy: -338.089854 where: bonds (distance) C4'-P energy: -74.228 bonds (distance) P-C4' energy: -76.853 flat angles C4'-P-C4' energy: -90.730 flat angles P-C4'-P energy: -43.347 tors. eta vs tors. theta energy: -52.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -747.529389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.529389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.529389 (E_RNA) where: Base-Base interactions energy: -412.408 where: short stacking energy: -204.652 Base-Backbone interact. energy: -3.186 local terms energy: -331.935210 where: bonds (distance) C4'-P energy: -74.826 bonds (distance) P-C4' energy: -96.608 flat angles C4'-P-C4' energy: -76.036 flat angles P-C4'-P energy: -47.006 tors. eta vs tors. theta energy: -37.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -580.639566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.639566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.639566 (E_RNA) where: Base-Base interactions energy: -274.513 where: short stacking energy: -159.737 Base-Backbone interact. energy: -1.647 local terms energy: -304.479602 where: bonds (distance) C4'-P energy: -77.178 bonds (distance) P-C4' energy: -84.070 flat angles C4'-P-C4' energy: -79.847 flat angles P-C4'-P energy: -42.202 tors. eta vs tors. theta energy: -21.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -377.160060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.160060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.160060 (E_RNA) where: Base-Base interactions energy: -117.767 where: short stacking energy: -97.705 Base-Backbone interact. energy: 1.538 local terms energy: -260.931188 where: bonds (distance) C4'-P energy: -68.506 bonds (distance) P-C4' energy: -90.447 flat angles C4'-P-C4' energy: -71.584 flat angles P-C4'-P energy: -45.783 tors. eta vs tors. theta energy: 15.389 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: 10 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1508.701994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.701994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.701994 (E_RNA) where: Base-Base interactions energy: -990.464 where: short stacking energy: -455.160 Base-Backbone interact. energy: -1.846 local terms energy: -516.391959 where: bonds (distance) C4'-P energy: -92.797 bonds (distance) P-C4' energy: -100.153 flat angles C4'-P-C4' energy: -105.053 flat angles P-C4'-P energy: -76.841 tors. eta vs tors. theta energy: -141.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1495.156326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.156326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.156326 (E_RNA) where: Base-Base interactions energy: -1012.700 where: short stacking energy: -443.732 Base-Backbone interact. energy: -1.892 local terms energy: -480.564049 where: bonds (distance) C4'-P energy: -86.437 bonds (distance) P-C4' energy: -98.580 flat angles C4'-P-C4' energy: -106.387 flat angles P-C4'-P energy: -60.651 tors. eta vs tors. theta energy: -128.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1396.427464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.427464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.427464 (E_RNA) where: Base-Base interactions energy: -947.945 where: short stacking energy: -422.834 Base-Backbone interact. energy: -2.832 local terms energy: -445.650338 where: bonds (distance) C4'-P energy: -95.588 bonds (distance) P-C4' energy: -67.323 flat angles C4'-P-C4' energy: -105.057 flat angles P-C4'-P energy: -61.314 tors. eta vs tors. theta energy: -116.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1362.563126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.563126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.563126 (E_RNA) where: Base-Base interactions energy: -887.222 where: short stacking energy: -403.752 Base-Backbone interact. energy: -1.018 local terms energy: -474.323401 where: bonds (distance) C4'-P energy: -77.933 bonds (distance) P-C4' energy: -101.279 flat angles C4'-P-C4' energy: -108.960 flat angles P-C4'-P energy: -71.997 tors. eta vs tors. theta energy: -114.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1138.616854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.616854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.616854 (E_RNA) where: Base-Base interactions energy: -725.348 where: short stacking energy: -355.484 Base-Backbone interact. energy: 1.720 local terms energy: -414.988692 where: bonds (distance) C4'-P energy: -86.692 bonds (distance) P-C4' energy: -88.195 flat angles C4'-P-C4' energy: -87.598 flat angles P-C4'-P energy: -58.832 tors. eta vs tors. theta energy: -93.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -994.512125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.512125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.512125 (E_RNA) where: Base-Base interactions energy: -614.071 where: short stacking energy: -309.781 Base-Backbone interact. energy: 2.140 local terms energy: -382.581733 where: bonds (distance) C4'-P energy: -87.537 bonds (distance) P-C4' energy: -95.063 flat angles C4'-P-C4' energy: -98.496 flat angles P-C4'-P energy: -44.633 tors. eta vs tors. theta energy: -56.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -868.891829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.891829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.891829 (E_RNA) where: Base-Base interactions energy: -489.191 where: short stacking energy: -249.911 Base-Backbone interact. energy: -0.977 local terms energy: -378.724335 where: bonds (distance) C4'-P energy: -93.898 bonds (distance) P-C4' energy: -89.360 flat angles C4'-P-C4' energy: -102.332 flat angles P-C4'-P energy: -56.019 tors. eta vs tors. theta energy: -37.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -783.316541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.316541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.316541 (E_RNA) where: Base-Base interactions energy: -452.512 where: short stacking energy: -205.324 Base-Backbone interact. energy: 2.616 local terms energy: -333.420163 where: bonds (distance) C4'-P energy: -76.907 bonds (distance) P-C4' energy: -77.004 flat angles C4'-P-C4' energy: -86.627 flat angles P-C4'-P energy: -58.646 tors. eta vs tors. theta energy: -34.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -527.582385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.582385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.582385 (E_RNA) where: Base-Base interactions energy: -247.996 where: short stacking energy: -126.803 Base-Backbone interact. energy: -0.047 local terms energy: -279.538905 where: bonds (distance) C4'-P energy: -71.971 bonds (distance) P-C4' energy: -98.669 flat angles C4'-P-C4' energy: -71.395 flat angles P-C4'-P energy: -51.734 tors. eta vs tors. theta energy: 14.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -362.385556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.385556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.385556 (E_RNA) where: Base-Base interactions energy: -103.669 where: short stacking energy: -95.169 Base-Backbone interact. energy: -1.016 local terms energy: -257.700841 where: bonds (distance) C4'-P energy: -91.600 bonds (distance) P-C4' energy: -83.751 flat angles C4'-P-C4' energy: -53.046 flat angles P-C4'-P energy: -47.681 tors. eta vs tors. theta energy: 18.377 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: 10 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1482.212547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.212547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.212547 (E_RNA) where: Base-Base interactions energy: -959.375 where: short stacking energy: -454.234 Base-Backbone interact. energy: -0.512 local terms energy: -522.324956 where: bonds (distance) C4'-P energy: -104.890 bonds (distance) P-C4' energy: -94.638 flat angles C4'-P-C4' energy: -105.885 flat angles P-C4'-P energy: -74.831 tors. eta vs tors. theta energy: -142.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1496.280319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.280319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.280319 (E_RNA) where: Base-Base interactions energy: -1008.324 where: short stacking energy: -421.028 Base-Backbone interact. energy: -4.991 local terms energy: -482.965110 where: bonds (distance) C4'-P energy: -96.724 bonds (distance) P-C4' energy: -95.385 flat angles C4'-P-C4' energy: -106.799 flat angles P-C4'-P energy: -62.361 tors. eta vs tors. theta energy: -121.697 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: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1366.063145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.063145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.063145 (E_RNA) where: Base-Base interactions energy: -937.987 where: short stacking energy: -392.696 Base-Backbone interact. energy: -3.691 local terms energy: -424.385915 where: bonds (distance) C4'-P energy: -83.135 bonds (distance) P-C4' energy: -87.660 flat angles C4'-P-C4' energy: -95.948 flat angles P-C4'-P energy: -44.993 tors. eta vs tors. theta energy: -112.650 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: 4 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1335.222545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.222545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.222545 (E_RNA) where: Base-Base interactions energy: -881.040 where: short stacking energy: -398.931 Base-Backbone interact. energy: 3.733 local terms energy: -457.915588 where: bonds (distance) C4'-P energy: -89.801 bonds (distance) P-C4' energy: -92.166 flat angles C4'-P-C4' energy: -91.372 flat angles P-C4'-P energy: -55.369 tors. eta vs tors. theta energy: -129.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1114.513898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.513898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.513898 (E_RNA) where: Base-Base interactions energy: -695.070 where: short stacking energy: -346.914 Base-Backbone interact. energy: 2.022 local terms energy: -421.465891 where: bonds (distance) C4'-P energy: -95.156 bonds (distance) P-C4' energy: -84.939 flat angles C4'-P-C4' energy: -96.165 flat angles P-C4'-P energy: -61.419 tors. eta vs tors. theta energy: -83.787 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: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1003.619244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.619244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.619244 (E_RNA) where: Base-Base interactions energy: -641.720 where: short stacking energy: -287.438 Base-Backbone interact. energy: -2.635 local terms energy: -359.264610 where: bonds (distance) C4'-P energy: -92.312 bonds (distance) P-C4' energy: -75.689 flat angles C4'-P-C4' energy: -96.005 flat angles P-C4'-P energy: -38.535 tors. eta vs tors. theta energy: -56.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -937.563786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.563786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.563786 (E_RNA) where: Base-Base interactions energy: -558.831 where: short stacking energy: -267.665 Base-Backbone interact. energy: -1.755 local terms energy: -376.978244 where: bonds (distance) C4'-P energy: -87.000 bonds (distance) P-C4' energy: -93.056 flat angles C4'-P-C4' energy: -83.485 flat angles P-C4'-P energy: -54.641 tors. eta vs tors. theta energy: -58.796 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: 5 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -722.308682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.308682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.308682 (E_RNA) where: Base-Base interactions energy: -399.778 where: short stacking energy: -206.277 Base-Backbone interact. energy: -1.490 local terms energy: -321.040931 where: bonds (distance) C4'-P energy: -75.050 bonds (distance) P-C4' energy: -74.360 flat angles C4'-P-C4' energy: -79.294 flat angles P-C4'-P energy: -59.861 tors. eta vs tors. theta energy: -32.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -500.604114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.604114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.604114 (E_RNA) where: Base-Base interactions energy: -221.927 where: short stacking energy: -133.898 Base-Backbone interact. energy: 1.042 local terms energy: -279.718595 where: bonds (distance) C4'-P energy: -76.931 bonds (distance) P-C4' energy: -88.480 flat angles C4'-P-C4' energy: -73.200 flat angles P-C4'-P energy: -44.708 tors. eta vs tors. theta energy: 3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -361.024431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.024431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.024431 (E_RNA) where: Base-Base interactions energy: -130.421 where: short stacking energy: -95.930 Base-Backbone interact. energy: -0.101 local terms energy: -230.501791 where: bonds (distance) C4'-P energy: -72.092 bonds (distance) P-C4' energy: -76.165 flat angles C4'-P-C4' energy: -75.865 flat angles P-C4'-P energy: -35.792 tors. eta vs tors. theta energy: 29.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1508.516727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.516727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.516727 (E_RNA) where: Base-Base interactions energy: -1002.667 where: short stacking energy: -463.086 Base-Backbone interact. energy: -0.904 local terms energy: -504.944930 where: bonds (distance) C4'-P energy: -88.699 bonds (distance) P-C4' energy: -106.235 flat angles C4'-P-C4' energy: -98.147 flat angles P-C4'-P energy: -69.371 tors. eta vs tors. theta energy: -142.492 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: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1507.275059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.275059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.275059 (E_RNA) where: Base-Base interactions energy: -1020.068 where: short stacking energy: -436.798 Base-Backbone interact. energy: 1.481 local terms energy: -488.687450 where: bonds (distance) C4'-P energy: -87.936 bonds (distance) P-C4' energy: -93.603 flat angles C4'-P-C4' energy: -100.061 flat angles P-C4'-P energy: -64.769 tors. eta vs tors. theta energy: -142.317 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: 6 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1324.854704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.854704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.854704 (E_RNA) where: Base-Base interactions energy: -883.350 where: short stacking energy: -371.892 Base-Backbone interact. energy: -2.520 local terms energy: -438.984362 where: bonds (distance) C4'-P energy: -78.828 bonds (distance) P-C4' energy: -92.892 flat angles C4'-P-C4' energy: -97.425 flat angles P-C4'-P energy: -67.164 tors. eta vs tors. theta energy: -102.675 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: 4 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1273.239706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.239706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.239706 (E_RNA) where: Base-Base interactions energy: -837.472 where: short stacking energy: -377.681 Base-Backbone interact. energy: -1.123 local terms energy: -434.645226 where: bonds (distance) C4'-P energy: -88.875 bonds (distance) P-C4' energy: -87.474 flat angles C4'-P-C4' energy: -98.031 flat angles P-C4'-P energy: -55.174 tors. eta vs tors. theta energy: -105.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1106.971542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.971542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.971542 (E_RNA) where: Base-Base interactions energy: -687.743 where: short stacking energy: -326.814 Base-Backbone interact. energy: -1.158 local terms energy: -418.071173 where: bonds (distance) C4'-P energy: -85.910 bonds (distance) P-C4' energy: -85.529 flat angles C4'-P-C4' energy: -98.479 flat angles P-C4'-P energy: -46.646 tors. eta vs tors. theta energy: -101.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -985.221591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.221591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.221591 (E_RNA) where: Base-Base interactions energy: -611.586 where: short stacking energy: -269.171 Base-Backbone interact. energy: -2.516 local terms energy: -371.120085 where: bonds (distance) C4'-P energy: -77.819 bonds (distance) P-C4' energy: -101.513 flat angles C4'-P-C4' energy: -80.210 flat angles P-C4'-P energy: -57.800 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: 7, replica: 1 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -837.428183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.428183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.428183 (E_RNA) where: Base-Base interactions energy: -494.156 where: short stacking energy: -254.487 Base-Backbone interact. energy: 0.419 local terms energy: -343.691409 where: bonds (distance) C4'-P energy: -78.581 bonds (distance) P-C4' energy: -82.639 flat angles C4'-P-C4' energy: -82.066 flat angles P-C4'-P energy: -59.437 tors. eta vs tors. theta energy: -40.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -717.660363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.660363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.660363 (E_RNA) where: Base-Base interactions energy: -411.130 where: short stacking energy: -203.319 Base-Backbone interact. energy: 1.849 local terms energy: -308.379508 where: bonds (distance) C4'-P energy: -75.075 bonds (distance) P-C4' energy: -86.084 flat angles C4'-P-C4' energy: -80.976 flat angles P-C4'-P energy: -39.042 tors. eta vs tors. theta energy: -27.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -515.804013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.804013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.804013 (E_RNA) where: Base-Base interactions energy: -245.496 where: short stacking energy: -161.580 Base-Backbone interact. energy: -1.795 local terms energy: -268.512850 where: bonds (distance) C4'-P energy: -65.533 bonds (distance) P-C4' energy: -83.969 flat angles C4'-P-C4' energy: -73.922 flat angles P-C4'-P energy: -44.322 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -368.384792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.384792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.384792 (E_RNA) where: Base-Base interactions energy: -101.902 where: short stacking energy: -94.007 Base-Backbone interact. energy: 0.060 local terms energy: -266.542957 where: bonds (distance) C4'-P energy: -84.670 bonds (distance) P-C4' energy: -88.161 flat angles C4'-P-C4' energy: -63.346 flat angles P-C4'-P energy: -43.557 tors. eta vs tors. theta energy: 13.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1499.525833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.525833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.525833 (E_RNA) where: Base-Base interactions energy: -983.509 where: short stacking energy: -461.577 Base-Backbone interact. energy: 0.126 local terms energy: -516.143455 where: bonds (distance) C4'-P energy: -106.335 bonds (distance) P-C4' energy: -98.357 flat angles C4'-P-C4' energy: -96.165 flat angles P-C4'-P energy: -74.679 tors. eta vs tors. theta energy: -140.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1524.120822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.120822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.120822 (E_RNA) where: Base-Base interactions energy: -1041.378 where: short stacking energy: -452.521 Base-Backbone interact. energy: -2.822 local terms energy: -479.919860 where: bonds (distance) C4'-P energy: -85.707 bonds (distance) P-C4' energy: -88.367 flat angles C4'-P-C4' energy: -101.318 flat angles P-C4'-P energy: -67.800 tors. eta vs tors. theta energy: -136.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1306.237679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.237679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.237679 (E_RNA) where: Base-Base interactions energy: -870.266 where: short stacking energy: -379.505 Base-Backbone interact. energy: -0.927 local terms energy: -435.044404 where: bonds (distance) C4'-P energy: -87.136 bonds (distance) P-C4' energy: -101.193 flat angles C4'-P-C4' energy: -86.230 flat angles P-C4'-P energy: -75.449 tors. eta vs tors. theta energy: -85.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1288.942484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.942484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.942484 (E_RNA) where: Base-Base interactions energy: -851.434 where: short stacking energy: -409.800 Base-Backbone interact. energy: 2.259 local terms energy: -439.767270 where: bonds (distance) C4'-P energy: -93.791 bonds (distance) P-C4' energy: -98.070 flat angles C4'-P-C4' energy: -83.467 flat angles P-C4'-P energy: -63.912 tors. eta vs tors. theta energy: -100.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1111.705152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.705152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.705152 (E_RNA) where: Base-Base interactions energy: -696.262 where: short stacking energy: -357.094 Base-Backbone interact. energy: -2.896 local terms energy: -412.546850 where: bonds (distance) C4'-P energy: -87.033 bonds (distance) P-C4' energy: -93.007 flat angles C4'-P-C4' energy: -78.827 flat angles P-C4'-P energy: -66.254 tors. eta vs tors. theta energy: -87.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1023.596427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.596427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.596427 (E_RNA) where: Base-Base interactions energy: -638.390 where: short stacking energy: -311.273 Base-Backbone interact. energy: 0.121 local terms energy: -385.327422 where: bonds (distance) C4'-P energy: -83.143 bonds (distance) P-C4' energy: -78.929 flat angles C4'-P-C4' energy: -82.105 flat angles P-C4'-P energy: -57.556 tors. eta vs tors. theta energy: -83.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -854.411604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.411604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.411604 (E_RNA) where: Base-Base interactions energy: -499.356 where: short stacking energy: -262.628 Base-Backbone interact. energy: -0.232 local terms energy: -354.823099 where: bonds (distance) C4'-P energy: -87.685 bonds (distance) P-C4' energy: -81.154 flat angles C4'-P-C4' energy: -94.189 flat angles P-C4'-P energy: -47.125 tors. eta vs tors. theta energy: -44.671 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: 8, replica: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -738.023936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.023936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.023936 (E_RNA) where: Base-Base interactions energy: -424.982 where: short stacking energy: -210.391 Base-Backbone interact. energy: 6.979 local terms energy: -320.020919 where: bonds (distance) C4'-P energy: -77.638 bonds (distance) P-C4' energy: -81.572 flat angles C4'-P-C4' energy: -84.620 flat angles P-C4'-P energy: -56.712 tors. eta vs tors. theta energy: -19.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -539.046498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.046498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.046498 (E_RNA) where: Base-Base interactions energy: -258.460 where: short stacking energy: -151.775 Base-Backbone interact. energy: -1.156 local terms energy: -279.430497 where: bonds (distance) C4'-P energy: -63.700 bonds (distance) P-C4' energy: -92.419 flat angles C4'-P-C4' energy: -65.706 flat angles P-C4'-P energy: -51.317 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: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -379.157796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.157796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.157796 (E_RNA) where: Base-Base interactions energy: -123.829 where: short stacking energy: -110.004 Base-Backbone interact. energy: -2.136 local terms energy: -253.193208 where: bonds (distance) C4'-P energy: -73.424 bonds (distance) P-C4' energy: -93.688 flat angles C4'-P-C4' energy: -63.013 flat angles P-C4'-P energy: -38.042 tors. eta vs tors. theta energy: 14.974 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: 1, replica: 8 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1557.437546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.437546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.437546 (E_RNA) where: Base-Base interactions energy: -1068.938 where: short stacking energy: -457.995 Base-Backbone interact. energy: -0.217 local terms energy: -488.282165 where: bonds (distance) C4'-P energy: -94.285 bonds (distance) P-C4' energy: -90.562 flat angles C4'-P-C4' energy: -103.974 flat angles P-C4'-P energy: -66.115 tors. eta vs tors. theta energy: -133.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1476.515788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.515788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.515788 (E_RNA) where: Base-Base interactions energy: -978.447 where: short stacking energy: -476.053 Base-Backbone interact. energy: -2.579 local terms energy: -495.490079 where: bonds (distance) C4'-P energy: -89.591 bonds (distance) P-C4' energy: -93.726 flat angles C4'-P-C4' energy: -107.418 flat angles P-C4'-P energy: -63.817 tors. eta vs tors. theta energy: -140.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1279.111568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.111568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.111568 (E_RNA) where: Base-Base interactions energy: -873.789 where: short stacking energy: -351.659 Base-Backbone interact. energy: 0.118 local terms energy: -405.440399 where: bonds (distance) C4'-P energy: -93.933 bonds (distance) P-C4' energy: -84.475 flat angles C4'-P-C4' energy: -87.371 flat angles P-C4'-P energy: -57.237 tors. eta vs tors. theta energy: -82.424 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: 4 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1266.367533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.367533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.367533 (E_RNA) where: Base-Base interactions energy: -826.315 where: short stacking energy: -358.603 Base-Backbone interact. energy: -1.522 local terms energy: -438.531352 where: bonds (distance) C4'-P energy: -80.876 bonds (distance) P-C4' energy: -94.079 flat angles C4'-P-C4' energy: -102.310 flat angles P-C4'-P energy: -72.144 tors. eta vs tors. theta energy: -89.123 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: 5, replica: 2 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1101.600662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.600662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.600662 (E_RNA) where: Base-Base interactions energy: -682.898 where: short stacking energy: -323.797 Base-Backbone interact. energy: -1.154 local terms energy: -417.548576 where: bonds (distance) C4'-P energy: -84.191 bonds (distance) P-C4' energy: -89.867 flat angles C4'-P-C4' energy: -95.310 flat angles P-C4'-P energy: -60.630 tors. eta vs tors. theta energy: -87.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1016.604863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.604863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.604863 (E_RNA) where: Base-Base interactions energy: -647.931 where: short stacking energy: -292.440 Base-Backbone interact. energy: 0.391 local terms energy: -369.065113 where: bonds (distance) C4'-P energy: -84.087 bonds (distance) P-C4' energy: -75.953 flat angles C4'-P-C4' energy: -91.903 flat angles P-C4'-P energy: -57.704 tors. eta vs tors. theta energy: -59.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -841.477684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.477684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.477684 (E_RNA) where: Base-Base interactions energy: -502.486 where: short stacking energy: -254.768 Base-Backbone interact. energy: 2.731 local terms energy: -341.723215 where: bonds (distance) C4'-P energy: -89.338 bonds (distance) P-C4' energy: -80.110 flat angles C4'-P-C4' energy: -90.119 flat angles P-C4'-P energy: -50.007 tors. eta vs tors. theta energy: -32.149 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: 8, replica: 5 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -748.903505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.903505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.903505 (E_RNA) where: Base-Base interactions energy: -431.803 where: short stacking energy: -209.724 Base-Backbone interact. energy: -2.934 local terms energy: -314.166813 where: bonds (distance) C4'-P energy: -78.732 bonds (distance) P-C4' energy: -94.615 flat angles C4'-P-C4' energy: -67.398 flat angles P-C4'-P energy: -42.966 tors. eta vs tors. theta energy: -30.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -526.460430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.460430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.460430 (E_RNA) where: Base-Base interactions energy: -255.246 where: short stacking energy: -163.143 Base-Backbone interact. energy: 1.532 local terms energy: -272.746861 where: bonds (distance) C4'-P energy: -78.517 bonds (distance) P-C4' energy: -77.381 flat angles C4'-P-C4' energy: -61.578 flat angles P-C4'-P energy: -49.008 tors. eta vs tors. theta energy: -6.263 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: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -367.830613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.830613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.830613 (E_RNA) where: Base-Base interactions energy: -133.892 where: short stacking energy: -91.685 Base-Backbone interact. energy: -2.093 local terms energy: -231.845264 where: bonds (distance) C4'-P energy: -75.782 bonds (distance) P-C4' energy: -91.894 flat angles C4'-P-C4' energy: -53.216 flat angles P-C4'-P energy: -28.975 tors. eta vs tors. theta energy: 18.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1570.059073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.059073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.059073 (E_RNA) where: Base-Base interactions energy: -1081.031 where: short stacking energy: -454.452 Base-Backbone interact. energy: -2.022 local terms energy: -487.006037 where: bonds (distance) C4'-P energy: -89.398 bonds (distance) P-C4' energy: -94.340 flat angles C4'-P-C4' energy: -98.033 flat angles P-C4'-P energy: -71.864 tors. eta vs tors. theta energy: -133.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1476.482476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.482476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.482476 (E_RNA) where: Base-Base interactions energy: -968.151 where: short stacking energy: -450.453 Base-Backbone interact. energy: 0.847 local terms energy: -509.179176 where: bonds (distance) C4'-P energy: -100.085 bonds (distance) P-C4' energy: -94.382 flat angles C4'-P-C4' energy: -107.086 flat angles P-C4'-P energy: -66.685 tors. eta vs tors. theta energy: -140.942 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: 3, replica: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1332.012144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.012144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.012144 (E_RNA) where: Base-Base interactions energy: -887.285 where: short stacking energy: -364.400 Base-Backbone interact. energy: -4.639 local terms energy: -440.087789 where: bonds (distance) C4'-P energy: -85.508 bonds (distance) P-C4' energy: -98.631 flat angles C4'-P-C4' energy: -92.570 flat angles P-C4'-P energy: -63.035 tors. eta vs tors. theta energy: -100.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1299.248793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.248793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.248793 (E_RNA) where: Base-Base interactions energy: -839.588 where: short stacking energy: -389.426 Base-Backbone interact. energy: 0.023 local terms energy: -459.684521 where: bonds (distance) C4'-P energy: -76.448 bonds (distance) P-C4' energy: -97.609 flat angles C4'-P-C4' energy: -108.875 flat angles P-C4'-P energy: -68.595 tors. eta vs tors. theta energy: -108.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1095.666113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.666113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.666113 (E_RNA) where: Base-Base interactions energy: -676.437 where: short stacking energy: -345.606 Base-Backbone interact. energy: -2.237 local terms energy: -416.991996 where: bonds (distance) C4'-P energy: -96.535 bonds (distance) P-C4' energy: -85.092 flat angles C4'-P-C4' energy: -88.924 flat angles P-C4'-P energy: -52.356 tors. eta vs tors. theta energy: -94.086 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: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -991.516787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.516787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.516787 (E_RNA) where: Base-Base interactions energy: -610.102 where: short stacking energy: -312.541 Base-Backbone interact. energy: -0.988 local terms energy: -380.426650 where: bonds (distance) C4'-P energy: -85.170 bonds (distance) P-C4' energy: -80.987 flat angles C4'-P-C4' energy: -85.132 flat angles P-C4'-P energy: -60.982 tors. eta vs tors. theta energy: -68.156 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: 1 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -906.348665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.348665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.348665 (E_RNA) where: Base-Base interactions energy: -544.429 where: short stacking energy: -246.820 Base-Backbone interact. energy: 2.185 local terms energy: -364.104794 where: bonds (distance) C4'-P energy: -91.574 bonds (distance) P-C4' energy: -87.981 flat angles C4'-P-C4' energy: -86.118 flat angles P-C4'-P energy: -47.733 tors. eta vs tors. theta energy: -50.698 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: 449 Temperature: 1.250000 Total energy: -740.959189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.959189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.959189 (E_RNA) where: Base-Base interactions energy: -419.738 where: short stacking energy: -223.163 Base-Backbone interact. energy: -2.795 local terms energy: -318.426305 where: bonds (distance) C4'-P energy: -87.331 bonds (distance) P-C4' energy: -97.650 flat angles C4'-P-C4' energy: -73.292 flat angles P-C4'-P energy: -38.356 tors. eta vs tors. theta energy: -21.797 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: 9, replica: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -511.381501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.381501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.381501 (E_RNA) where: Base-Base interactions energy: -240.059 where: short stacking energy: -147.187 Base-Backbone interact. energy: -0.613 local terms energy: -270.709539 where: bonds (distance) C4'-P energy: -62.466 bonds (distance) P-C4' energy: -84.868 flat angles C4'-P-C4' energy: -73.301 flat angles P-C4'-P energy: -51.044 tors. eta vs tors. theta energy: 0.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -357.844725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.844725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.844725 (E_RNA) where: Base-Base interactions energy: -117.205 where: short stacking energy: -106.759 Base-Backbone interact. energy: 5.531 local terms energy: -246.170940 where: bonds (distance) C4'-P energy: -76.027 bonds (distance) P-C4' energy: -97.305 flat angles C4'-P-C4' energy: -65.098 flat angles P-C4'-P energy: -30.646 tors. eta vs tors. theta energy: 22.905 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: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1543.828849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.828849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.828849 (E_RNA) where: Base-Base interactions energy: -1035.838 where: short stacking energy: -428.981 Base-Backbone interact. energy: -4.245 local terms energy: -503.745705 where: bonds (distance) C4'-P energy: -88.987 bonds (distance) P-C4' energy: -101.584 flat angles C4'-P-C4' energy: -102.466 flat angles P-C4'-P energy: -71.486 tors. eta vs tors. theta energy: -139.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1484.825020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.825020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.825020 (E_RNA) where: Base-Base interactions energy: -978.840 where: short stacking energy: -472.243 Base-Backbone interact. energy: -1.542 local terms energy: -504.443260 where: bonds (distance) C4'-P energy: -93.398 bonds (distance) P-C4' energy: -91.713 flat angles C4'-P-C4' energy: -105.486 flat angles P-C4'-P energy: -72.375 tors. eta vs tors. theta energy: -141.470 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: 6 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1370.728986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.728986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.728986 (E_RNA) where: Base-Base interactions energy: -929.445 where: short stacking energy: -397.946 Base-Backbone interact. energy: -2.426 local terms energy: -438.857859 where: bonds (distance) C4'-P energy: -85.452 bonds (distance) P-C4' energy: -95.017 flat angles C4'-P-C4' energy: -94.443 flat angles P-C4'-P energy: -61.066 tors. eta vs tors. theta energy: -102.881 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: 4 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1314.264000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.264000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.264000 (E_RNA) where: Base-Base interactions energy: -869.382 where: short stacking energy: -399.957 Base-Backbone interact. energy: 0.898 local terms energy: -445.780023 where: bonds (distance) C4'-P energy: -84.984 bonds (distance) P-C4' energy: -85.775 flat angles C4'-P-C4' energy: -101.369 flat angles P-C4'-P energy: -64.819 tors. eta vs tors. theta energy: -108.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1106.832055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.832055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.832055 (E_RNA) where: Base-Base interactions energy: -689.283 where: short stacking energy: -330.439 Base-Backbone interact. energy: -0.648 local terms energy: -416.901728 where: bonds (distance) C4'-P energy: -85.347 bonds (distance) P-C4' energy: -90.164 flat angles C4'-P-C4' energy: -93.371 flat angles P-C4'-P energy: -59.972 tors. eta vs tors. theta energy: -88.048 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: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -957.663793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.663793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.663793 (E_RNA) where: Base-Base interactions energy: -585.174 where: short stacking energy: -274.213 Base-Backbone interact. energy: -3.323 local terms energy: -369.166928 where: bonds (distance) C4'-P energy: -83.628 bonds (distance) P-C4' energy: -85.656 flat angles C4'-P-C4' energy: -89.574 flat angles P-C4'-P energy: -50.623 tors. eta vs tors. theta energy: -59.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -859.682785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.682785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.682785 (E_RNA) where: Base-Base interactions energy: -537.451 where: short stacking energy: -245.696 Base-Backbone interact. energy: 1.444 local terms energy: -323.676030 where: bonds (distance) C4'-P energy: -75.287 bonds (distance) P-C4' energy: -74.963 flat angles C4'-P-C4' energy: -87.434 flat angles P-C4'-P energy: -47.766 tors. eta vs tors. theta energy: -38.225 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: 5 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -733.963547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.963547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.963547 (E_RNA) where: Base-Base interactions energy: -414.486 where: short stacking energy: -212.233 Base-Backbone interact. energy: 2.157 local terms energy: -321.634415 where: bonds (distance) C4'-P energy: -85.930 bonds (distance) P-C4' energy: -86.736 flat angles C4'-P-C4' energy: -58.354 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -41.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -494.336321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.336321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.336321 (E_RNA) where: Base-Base interactions energy: -245.700 where: short stacking energy: -136.068 Base-Backbone interact. energy: -1.280 local terms energy: -247.356335 where: bonds (distance) C4'-P energy: -73.935 bonds (distance) P-C4' energy: -64.727 flat angles C4'-P-C4' energy: -79.492 flat angles P-C4'-P energy: -43.393 tors. eta vs tors. theta energy: 14.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -392.166982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.166982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.166982 (E_RNA) where: Base-Base interactions energy: -135.853 where: short stacking energy: -117.384 Base-Backbone interact. energy: -0.449 local terms energy: -255.865616 where: bonds (distance) C4'-P energy: -80.881 bonds (distance) P-C4' energy: -91.274 flat angles C4'-P-C4' energy: -73.164 flat angles P-C4'-P energy: -30.072 tors. eta vs tors. theta energy: 19.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1550.534303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.534303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.534303 (E_RNA) where: Base-Base interactions energy: -1061.534 where: short stacking energy: -458.978 Base-Backbone interact. energy: -1.807 local terms energy: -487.193544 where: bonds (distance) C4'-P energy: -88.381 bonds (distance) P-C4' energy: -93.148 flat angles C4'-P-C4' energy: -102.126 flat angles P-C4'-P energy: -64.973 tors. eta vs tors. theta energy: -138.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1456.872265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.872265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.872265 (E_RNA) where: Base-Base interactions energy: -954.582 where: short stacking energy: -424.549 Base-Backbone interact. energy: 1.346 local terms energy: -503.635634 where: bonds (distance) C4'-P energy: -99.083 bonds (distance) P-C4' energy: -103.755 flat angles C4'-P-C4' energy: -101.024 flat angles P-C4'-P energy: -72.007 tors. eta vs tors. theta energy: -127.768 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: 3, replica: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1340.486859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.486859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.486859 (E_RNA) where: Base-Base interactions energy: -903.181 where: short stacking energy: -375.250 Base-Backbone interact. energy: -0.150 local terms energy: -437.156162 where: bonds (distance) C4'-P energy: -90.016 bonds (distance) P-C4' energy: -88.023 flat angles C4'-P-C4' energy: -100.651 flat angles P-C4'-P energy: -55.454 tors. eta vs tors. theta energy: -103.012 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: 4, replica: 4 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1323.268265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.268265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.268265 (E_RNA) where: Base-Base interactions energy: -866.008 where: short stacking energy: -393.195 Base-Backbone interact. energy: -3.685 local terms energy: -453.574829 where: bonds (distance) C4'-P energy: -83.364 bonds (distance) P-C4' energy: -89.572 flat angles C4'-P-C4' energy: -99.257 flat angles P-C4'-P energy: -73.643 tors. eta vs tors. theta energy: -107.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1093.408193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.408193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.408193 (E_RNA) where: Base-Base interactions energy: -674.803 where: short stacking energy: -317.236 Base-Backbone interact. energy: -0.195 local terms energy: -418.410710 where: bonds (distance) C4'-P energy: -95.681 bonds (distance) P-C4' energy: -85.351 flat angles C4'-P-C4' energy: -87.041 flat angles P-C4'-P energy: -62.840 tors. eta vs tors. theta energy: -87.499 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: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -986.493009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.493009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.493009 (E_RNA) where: Base-Base interactions energy: -601.546 where: short stacking energy: -286.006 Base-Backbone interact. energy: -2.715 local terms energy: -382.232034 where: bonds (distance) C4'-P energy: -89.529 bonds (distance) P-C4' energy: -88.647 flat angles C4'-P-C4' energy: -79.213 flat angles P-C4'-P energy: -64.290 tors. eta vs tors. theta energy: -60.553 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: 1 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -899.854236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.854236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.854236 (E_RNA) where: Base-Base interactions energy: -531.207 where: short stacking energy: -261.583 Base-Backbone interact. energy: 0.209 local terms energy: -368.856398 where: bonds (distance) C4'-P energy: -70.744 bonds (distance) P-C4' energy: -92.479 flat angles C4'-P-C4' energy: -81.942 flat angles P-C4'-P energy: -66.377 tors. eta vs tors. theta energy: -57.314 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: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -750.480964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.480964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.480964 (E_RNA) where: Base-Base interactions energy: -442.911 where: short stacking energy: -217.225 Base-Backbone interact. energy: 0.453 local terms energy: -308.023608 where: bonds (distance) C4'-P energy: -60.087 bonds (distance) P-C4' energy: -78.583 flat angles C4'-P-C4' energy: -81.462 flat angles P-C4'-P energy: -54.845 tors. eta vs tors. theta energy: -33.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -531.534927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.534927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.534927 (E_RNA) where: Base-Base interactions energy: -278.303 where: short stacking energy: -163.509 Base-Backbone interact. energy: -2.011 local terms energy: -251.220373 where: bonds (distance) C4'-P energy: -69.314 bonds (distance) P-C4' energy: -63.817 flat angles C4'-P-C4' energy: -61.418 flat angles P-C4'-P energy: -51.530 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -380.698858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.698858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.698858 (E_RNA) where: Base-Base interactions energy: -137.088 where: short stacking energy: -91.959 Base-Backbone interact. energy: -0.411 local terms energy: -243.199764 where: bonds (distance) C4'-P energy: -81.011 bonds (distance) P-C4' energy: -86.565 flat angles C4'-P-C4' energy: -51.338 flat angles P-C4'-P energy: -48.692 tors. eta vs tors. theta energy: 24.406 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: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1557.042983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.042983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.042983 (E_RNA) where: Base-Base interactions energy: -1045.082 where: short stacking energy: -441.734 Base-Backbone interact. energy: -5.837 local terms energy: -506.123669 where: bonds (distance) C4'-P energy: -101.916 bonds (distance) P-C4' energy: -96.243 flat angles C4'-P-C4' energy: -103.217 flat angles P-C4'-P energy: -64.296 tors. eta vs tors. theta energy: -140.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1439.543696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.543696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.543696 (E_RNA) where: Base-Base interactions energy: -953.286 where: short stacking energy: -434.601 Base-Backbone interact. energy: 0.001 local terms energy: -486.258600 where: bonds (distance) C4'-P energy: -91.870 bonds (distance) P-C4' energy: -100.672 flat angles C4'-P-C4' energy: -103.520 flat angles P-C4'-P energy: -61.832 tors. eta vs tors. theta energy: -128.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1361.717329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.717329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.717329 (E_RNA) where: Base-Base interactions energy: -919.368 where: short stacking energy: -419.104 Base-Backbone interact. energy: 2.624 local terms energy: -444.973089 where: bonds (distance) C4'-P energy: -80.612 bonds (distance) P-C4' energy: -95.024 flat angles C4'-P-C4' energy: -96.063 flat angles P-C4'-P energy: -65.524 tors. eta vs tors. theta energy: -107.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1298.521814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.521814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.521814 (E_RNA) where: Base-Base interactions energy: -883.207 where: short stacking energy: -356.681 Base-Backbone interact. energy: -1.052 local terms energy: -414.262755 where: bonds (distance) C4'-P energy: -91.548 bonds (distance) P-C4' energy: -74.574 flat angles C4'-P-C4' energy: -98.858 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: -86.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1073.870824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.870824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.870824 (E_RNA) where: Base-Base interactions energy: -662.615 where: short stacking energy: -315.439 Base-Backbone interact. energy: -2.011 local terms energy: -409.244451 where: bonds (distance) C4'-P energy: -93.018 bonds (distance) P-C4' energy: -95.737 flat angles C4'-P-C4' energy: -83.368 flat angles P-C4'-P energy: -63.917 tors. eta vs tors. theta energy: -73.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -993.209935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.209935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.209935 (E_RNA) where: Base-Base interactions energy: -618.184 where: short stacking energy: -281.369 Base-Backbone interact. energy: -4.167 local terms energy: -370.859320 where: bonds (distance) C4'-P energy: -85.442 bonds (distance) P-C4' energy: -86.144 flat angles C4'-P-C4' energy: -81.280 flat angles P-C4'-P energy: -53.840 tors. eta vs tors. theta energy: -64.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -880.439087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.439087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.439087 (E_RNA) where: Base-Base interactions energy: -518.877 where: short stacking energy: -248.950 Base-Backbone interact. energy: 3.823 local terms energy: -365.384886 where: bonds (distance) C4'-P energy: -89.656 bonds (distance) P-C4' energy: -91.116 flat angles C4'-P-C4' energy: -85.359 flat angles P-C4'-P energy: -51.209 tors. eta vs tors. theta energy: -48.044 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: 5 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -763.922005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.922005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.922005 (E_RNA) where: Base-Base interactions energy: -441.174 where: short stacking energy: -215.964 Base-Backbone interact. energy: 0.185 local terms energy: -322.932857 where: bonds (distance) C4'-P energy: -93.709 bonds (distance) P-C4' energy: -84.265 flat angles C4'-P-C4' energy: -74.436 flat angles P-C4'-P energy: -52.398 tors. eta vs tors. theta energy: -18.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -587.325888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.325888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.325888 (E_RNA) where: Base-Base interactions energy: -316.173 where: short stacking energy: -176.884 Base-Backbone interact. energy: -3.203 local terms energy: -267.950294 where: bonds (distance) C4'-P energy: -64.123 bonds (distance) P-C4' energy: -81.905 flat angles C4'-P-C4' energy: -71.702 flat angles P-C4'-P energy: -35.402 tors. eta vs tors. theta energy: -14.819 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: 452 Temperature: 1.350000 Total energy: -373.212155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.212155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.212155 (E_RNA) where: Base-Base interactions energy: -111.388 where: short stacking energy: -67.434 Base-Backbone interact. energy: 1.963 local terms energy: -263.786506 where: bonds (distance) C4'-P energy: -75.053 bonds (distance) P-C4' energy: -88.250 flat angles C4'-P-C4' energy: -69.198 flat angles P-C4'-P energy: -54.484 tors. eta vs tors. theta energy: 23.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1540.436109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.436109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.436109 (E_RNA) where: Base-Base interactions energy: -1038.019 where: short stacking energy: -460.891 Base-Backbone interact. energy: -3.620 local terms energy: -498.797935 where: bonds (distance) C4'-P energy: -106.295 bonds (distance) P-C4' energy: -91.910 flat angles C4'-P-C4' energy: -100.612 flat angles P-C4'-P energy: -59.138 tors. eta vs tors. theta energy: -140.843 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: 10 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1451.395183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.395183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.395183 (E_RNA) where: Base-Base interactions energy: -939.761 where: short stacking energy: -444.168 Base-Backbone interact. energy: -1.717 local terms energy: -509.917610 where: bonds (distance) C4'-P energy: -103.832 bonds (distance) P-C4' energy: -106.230 flat angles C4'-P-C4' energy: -98.364 flat angles P-C4'-P energy: -69.297 tors. eta vs tors. theta energy: -132.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1369.514655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.514655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.514655 (E_RNA) where: Base-Base interactions energy: -903.050 where: short stacking energy: -420.840 Base-Backbone interact. energy: 0.208 local terms energy: -466.672482 where: bonds (distance) C4'-P energy: -88.460 bonds (distance) P-C4' energy: -87.642 flat angles C4'-P-C4' energy: -109.755 flat angles P-C4'-P energy: -63.943 tors. eta vs tors. theta energy: -116.872 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: 453 Temperature: 1.050000 Total energy: -1292.287306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.287306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.287306 (E_RNA) where: Base-Base interactions energy: -866.758 where: short stacking energy: -366.043 Base-Backbone interact. energy: -7.450 local terms energy: -418.078992 where: bonds (distance) C4'-P energy: -99.999 bonds (distance) P-C4' energy: -74.437 flat angles C4'-P-C4' energy: -98.499 flat angles P-C4'-P energy: -53.873 tors. eta vs tors. theta energy: -91.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1126.718418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.718418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.718418 (E_RNA) where: Base-Base interactions energy: -701.063 where: short stacking energy: -338.504 Base-Backbone interact. energy: 1.762 local terms energy: -427.417373 where: bonds (distance) C4'-P energy: -80.442 bonds (distance) P-C4' energy: -96.322 flat angles C4'-P-C4' energy: -95.452 flat angles P-C4'-P energy: -66.637 tors. eta vs tors. theta energy: -88.564 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: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1008.158219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.158219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.158219 (E_RNA) where: Base-Base interactions energy: -624.660 where: short stacking energy: -306.362 Base-Backbone interact. energy: -0.727 local terms energy: -382.771381 where: bonds (distance) C4'-P energy: -84.416 bonds (distance) P-C4' energy: -82.974 flat angles C4'-P-C4' energy: -99.726 flat angles P-C4'-P energy: -53.115 tors. eta vs tors. theta energy: -62.541 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: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -875.570614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.570614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.570614 (E_RNA) where: Base-Base interactions energy: -527.280 where: short stacking energy: -261.756 Base-Backbone interact. energy: -2.567 local terms energy: -345.723590 where: bonds (distance) C4'-P energy: -77.663 bonds (distance) P-C4' energy: -92.957 flat angles C4'-P-C4' energy: -79.970 flat angles P-C4'-P energy: -56.423 tors. eta vs tors. theta energy: -38.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -766.919067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.919067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.919067 (E_RNA) where: Base-Base interactions energy: -435.902 where: short stacking energy: -211.856 Base-Backbone interact. energy: 2.940 local terms energy: -333.956743 where: bonds (distance) C4'-P energy: -72.090 bonds (distance) P-C4' energy: -92.908 flat angles C4'-P-C4' energy: -83.583 flat angles P-C4'-P energy: -51.201 tors. eta vs tors. theta energy: -34.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -622.278415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.278415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.278415 (E_RNA) where: Base-Base interactions energy: -324.773 where: short stacking energy: -169.459 Base-Backbone interact. energy: 0.437 local terms energy: -297.942147 where: bonds (distance) C4'-P energy: -76.668 bonds (distance) P-C4' energy: -86.004 flat angles C4'-P-C4' energy: -73.512 flat angles P-C4'-P energy: -43.179 tors. eta vs tors. theta energy: -18.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -354.750289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.750289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.750289 (E_RNA) where: Base-Base interactions energy: -119.081 where: short stacking energy: -96.646 Base-Backbone interact. energy: 0.538 local terms energy: -236.207184 where: bonds (distance) C4'-P energy: -73.607 bonds (distance) P-C4' energy: -86.391 flat angles C4'-P-C4' energy: -69.602 flat angles P-C4'-P energy: -32.769 tors. eta vs tors. theta energy: 26.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1528.476753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.476753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.476753 (E_RNA) where: Base-Base interactions energy: -1033.601 where: short stacking energy: -439.578 Base-Backbone interact. energy: -2.613 local terms energy: -492.262710 where: bonds (distance) C4'-P energy: -100.452 bonds (distance) P-C4' energy: -96.125 flat angles C4'-P-C4' energy: -109.843 flat angles P-C4'-P energy: -57.207 tors. eta vs tors. theta energy: -128.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1473.002539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.002539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.002539 (E_RNA) where: Base-Base interactions energy: -986.242 where: short stacking energy: -450.356 Base-Backbone interact. energy: -0.793 local terms energy: -485.967692 where: bonds (distance) C4'-P energy: -103.898 bonds (distance) P-C4' energy: -90.706 flat angles C4'-P-C4' energy: -98.797 flat angles P-C4'-P energy: -58.504 tors. eta vs tors. theta energy: -134.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1388.180978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.180978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.180978 (E_RNA) where: Base-Base interactions energy: -928.788 where: short stacking energy: -411.738 Base-Backbone interact. energy: 0.735 local terms energy: -460.128153 where: bonds (distance) C4'-P energy: -87.857 bonds (distance) P-C4' energy: -84.992 flat angles C4'-P-C4' energy: -105.045 flat angles P-C4'-P energy: -64.774 tors. eta vs tors. theta energy: -117.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1285.234225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.234225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.234225 (E_RNA) where: Base-Base interactions energy: -855.997 where: short stacking energy: -359.689 Base-Backbone interact. energy: -2.670 local terms energy: -426.566713 where: bonds (distance) C4'-P energy: -84.776 bonds (distance) P-C4' energy: -97.341 flat angles C4'-P-C4' energy: -88.879 flat angles P-C4'-P energy: -62.717 tors. eta vs tors. theta energy: -92.854 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: 2 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1098.646490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.646490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.646490 (E_RNA) where: Base-Base interactions energy: -702.004 where: short stacking energy: -367.880 Base-Backbone interact. energy: -1.050 local terms energy: -395.592521 where: bonds (distance) C4'-P energy: -76.161 bonds (distance) P-C4' energy: -92.340 flat angles C4'-P-C4' energy: -83.109 flat angles P-C4'-P energy: -52.217 tors. eta vs tors. theta energy: -91.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -960.388336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.388336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.388336 (E_RNA) where: Base-Base interactions energy: -607.992 where: short stacking energy: -267.055 Base-Backbone interact. energy: -1.917 local terms energy: -350.479452 where: bonds (distance) C4'-P energy: -83.683 bonds (distance) P-C4' energy: -79.812 flat angles C4'-P-C4' energy: -75.777 flat angles P-C4'-P energy: -59.474 tors. eta vs tors. theta energy: -51.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -873.587728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.587728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.587728 (E_RNA) where: Base-Base interactions energy: -515.045 where: short stacking energy: -237.260 Base-Backbone interact. energy: -2.561 local terms energy: -355.981330 where: bonds (distance) C4'-P energy: -80.976 bonds (distance) P-C4' energy: -92.970 flat angles C4'-P-C4' energy: -90.615 flat angles P-C4'-P energy: -52.556 tors. eta vs tors. theta energy: -38.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -770.824732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.824732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.824732 (E_RNA) where: Base-Base interactions energy: -454.178 where: short stacking energy: -232.178 Base-Backbone interact. energy: 0.877 local terms energy: -317.523854 where: bonds (distance) C4'-P energy: -71.228 bonds (distance) P-C4' energy: -84.141 flat angles C4'-P-C4' energy: -68.635 flat angles P-C4'-P energy: -58.338 tors. eta vs tors. theta energy: -35.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -526.520255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.520255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.520255 (E_RNA) where: Base-Base interactions energy: -257.394 where: short stacking energy: -158.478 Base-Backbone interact. energy: -0.162 local terms energy: -268.964070 where: bonds (distance) C4'-P energy: -75.015 bonds (distance) P-C4' energy: -77.493 flat angles C4'-P-C4' energy: -76.985 flat angles P-C4'-P energy: -38.749 tors. eta vs tors. theta energy: -0.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -367.711634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.711634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.711634 (E_RNA) where: Base-Base interactions energy: -146.995 where: short stacking energy: -112.206 Base-Backbone interact. energy: 0.588 local terms energy: -221.304608 where: bonds (distance) C4'-P energy: -61.439 bonds (distance) P-C4' energy: -65.500 flat angles C4'-P-C4' energy: -64.117 flat angles P-C4'-P energy: -39.390 tors. eta vs tors. theta energy: 9.142 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: 8 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1542.093442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.093442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.093442 (E_RNA) where: Base-Base interactions energy: -1045.055 where: short stacking energy: -447.673 Base-Backbone interact. energy: -3.141 local terms energy: -493.897659 where: bonds (distance) C4'-P energy: -91.669 bonds (distance) P-C4' energy: -86.589 flat angles C4'-P-C4' energy: -102.498 flat angles P-C4'-P energy: -70.726 tors. eta vs tors. theta energy: -142.416 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: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1448.213073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.213073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.213073 (E_RNA) where: Base-Base interactions energy: -946.840 where: short stacking energy: -439.119 Base-Backbone interact. energy: -1.141 local terms energy: -500.232105 where: bonds (distance) C4'-P energy: -82.109 bonds (distance) P-C4' energy: -98.362 flat angles C4'-P-C4' energy: -108.947 flat angles P-C4'-P energy: -72.723 tors. eta vs tors. theta energy: -138.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1368.720584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.720584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.720584 (E_RNA) where: Base-Base interactions energy: -906.997 where: short stacking energy: -428.997 Base-Backbone interact. energy: 1.470 local terms energy: -463.193025 where: bonds (distance) C4'-P energy: -87.247 bonds (distance) P-C4' energy: -86.531 flat angles C4'-P-C4' energy: -103.587 flat angles P-C4'-P energy: -65.309 tors. eta vs tors. theta energy: -120.520 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: 455 Temperature: 1.050000 Total energy: -1350.565445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.565445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.565445 (E_RNA) where: Base-Base interactions energy: -913.916 where: short stacking energy: -371.498 Base-Backbone interact. energy: -1.850 local terms energy: -434.798952 where: bonds (distance) C4'-P energy: -84.334 bonds (distance) P-C4' energy: -83.889 flat angles C4'-P-C4' energy: -88.570 flat angles P-C4'-P energy: -70.080 tors. eta vs tors. theta energy: -107.925 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: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1102.821426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.821426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.821426 (E_RNA) where: Base-Base interactions energy: -696.448 where: short stacking energy: -341.243 Base-Backbone interact. energy: -1.225 local terms energy: -405.148518 where: bonds (distance) C4'-P energy: -69.926 bonds (distance) P-C4' energy: -81.418 flat angles C4'-P-C4' energy: -100.130 flat angles P-C4'-P energy: -58.740 tors. eta vs tors. theta energy: -94.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1031.472224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.472224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.472224 (E_RNA) where: Base-Base interactions energy: -655.373 where: short stacking energy: -292.493 Base-Backbone interact. energy: -1.539 local terms energy: -374.559609 where: bonds (distance) C4'-P energy: -75.539 bonds (distance) P-C4' energy: -85.502 flat angles C4'-P-C4' energy: -91.490 flat angles P-C4'-P energy: -58.298 tors. eta vs tors. theta energy: -63.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -881.169077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.169077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.169077 (E_RNA) where: Base-Base interactions energy: -518.674 where: short stacking energy: -257.355 Base-Backbone interact. energy: -1.678 local terms energy: -360.817379 where: bonds (distance) C4'-P energy: -86.579 bonds (distance) P-C4' energy: -82.981 flat angles C4'-P-C4' energy: -82.259 flat angles P-C4'-P energy: -53.833 tors. eta vs tors. theta energy: -55.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -721.921298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.921298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.921298 (E_RNA) where: Base-Base interactions energy: -426.657 where: short stacking energy: -219.672 Base-Backbone interact. energy: 0.594 local terms energy: -295.858597 where: bonds (distance) C4'-P energy: -61.603 bonds (distance) P-C4' energy: -98.556 flat angles C4'-P-C4' energy: -76.653 flat angles P-C4'-P energy: -37.281 tors. eta vs tors. theta energy: -21.765 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: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -530.690436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.690436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.690436 (E_RNA) where: Base-Base interactions energy: -255.269 where: short stacking energy: -162.857 Base-Backbone interact. energy: 1.247 local terms energy: -276.668038 where: bonds (distance) C4'-P energy: -57.526 bonds (distance) P-C4' energy: -75.084 flat angles C4'-P-C4' energy: -78.584 flat angles P-C4'-P energy: -52.823 tors. eta vs tors. theta energy: -12.651 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: 10, replica: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -396.466924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.466924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.466924 (E_RNA) where: Base-Base interactions energy: -140.901 where: short stacking energy: -112.425 Base-Backbone interact. energy: 0.953 local terms energy: -256.518830 where: bonds (distance) C4'-P energy: -77.532 bonds (distance) P-C4' energy: -85.657 flat angles C4'-P-C4' energy: -73.855 flat angles P-C4'-P energy: -26.939 tors. eta vs tors. theta energy: 7.464 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: 1, replica: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1567.087082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.087082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.087082 (E_RNA) where: Base-Base interactions energy: -1046.843 where: short stacking energy: -463.461 Base-Backbone interact. energy: -3.601 local terms energy: -516.643057 where: bonds (distance) C4'-P energy: -89.185 bonds (distance) P-C4' energy: -94.174 flat angles C4'-P-C4' energy: -121.416 flat angles P-C4'-P energy: -78.738 tors. eta vs tors. theta energy: -133.130 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: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1471.248693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.248693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.248693 (E_RNA) where: Base-Base interactions energy: -988.898 where: short stacking energy: -455.664 Base-Backbone interact. energy: -2.681 local terms energy: -479.669693 where: bonds (distance) C4'-P energy: -82.712 bonds (distance) P-C4' energy: -89.664 flat angles C4'-P-C4' energy: -101.304 flat angles P-C4'-P energy: -62.673 tors. eta vs tors. theta energy: -143.316 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: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1367.319009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.319009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.319009 (E_RNA) where: Base-Base interactions energy: -894.163 where: short stacking energy: -398.849 Base-Backbone interact. energy: -1.167 local terms energy: -471.988977 where: bonds (distance) C4'-P energy: -97.444 bonds (distance) P-C4' energy: -93.330 flat angles C4'-P-C4' energy: -103.518 flat angles P-C4'-P energy: -71.023 tors. eta vs tors. theta energy: -106.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1314.941590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.941590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.941590 (E_RNA) where: Base-Base interactions energy: -885.127 where: short stacking energy: -390.372 Base-Backbone interact. energy: -0.041 local terms energy: -429.773230 where: bonds (distance) C4'-P energy: -84.001 bonds (distance) P-C4' energy: -96.818 flat angles C4'-P-C4' energy: -86.277 flat angles P-C4'-P energy: -56.737 tors. eta vs tors. theta energy: -105.940 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: 7 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1080.380321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.380321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.380321 (E_RNA) where: Base-Base interactions energy: -674.295 where: short stacking energy: -332.348 Base-Backbone interact. energy: -1.342 local terms energy: -404.743438 where: bonds (distance) C4'-P energy: -85.418 bonds (distance) P-C4' energy: -89.993 flat angles C4'-P-C4' energy: -90.778 flat angles P-C4'-P energy: -59.315 tors. eta vs tors. theta energy: -79.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1047.200625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.200625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.200625 (E_RNA) where: Base-Base interactions energy: -653.969 where: short stacking energy: -323.012 Base-Backbone interact. energy: -0.644 local terms energy: -392.588158 where: bonds (distance) C4'-P energy: -79.535 bonds (distance) P-C4' energy: -80.392 flat angles C4'-P-C4' energy: -86.572 flat angles P-C4'-P energy: -60.803 tors. eta vs tors. theta energy: -85.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -876.722733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.722733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.722733 (E_RNA) where: Base-Base interactions energy: -511.949 where: short stacking energy: -256.613 Base-Backbone interact. energy: -2.596 local terms energy: -362.177353 where: bonds (distance) C4'-P energy: -94.618 bonds (distance) P-C4' energy: -86.593 flat angles C4'-P-C4' energy: -76.394 flat angles P-C4'-P energy: -61.882 tors. eta vs tors. theta energy: -42.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -743.220849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.220849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.220849 (E_RNA) where: Base-Base interactions energy: -425.927 where: short stacking energy: -204.363 Base-Backbone interact. energy: 3.907 local terms energy: -321.200414 where: bonds (distance) C4'-P energy: -78.451 bonds (distance) P-C4' energy: -83.580 flat angles C4'-P-C4' energy: -72.989 flat angles P-C4'-P energy: -59.054 tors. eta vs tors. theta energy: -27.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -544.853824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.853824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.853824 (E_RNA) where: Base-Base interactions energy: -269.356 where: short stacking energy: -150.029 Base-Backbone interact. energy: -1.918 local terms energy: -273.580510 where: bonds (distance) C4'-P energy: -93.454 bonds (distance) P-C4' energy: -73.401 flat angles C4'-P-C4' energy: -59.368 flat angles P-C4'-P energy: -50.452 tors. eta vs tors. theta energy: 3.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -370.659592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.659592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.659592 (E_RNA) where: Base-Base interactions energy: -131.846 where: short stacking energy: -117.410 Base-Backbone interact. energy: -3.168 local terms energy: -235.645426 where: bonds (distance) C4'-P energy: -70.316 bonds (distance) P-C4' energy: -66.851 flat angles C4'-P-C4' energy: -81.384 flat angles P-C4'-P energy: -38.314 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: 1, replica: 8 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1521.545943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.545943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.545943 (E_RNA) where: Base-Base interactions energy: -1025.099 where: short stacking energy: -442.531 Base-Backbone interact. energy: -2.784 local terms energy: -493.662347 where: bonds (distance) C4'-P energy: -92.510 bonds (distance) P-C4' energy: -99.605 flat angles C4'-P-C4' energy: -109.415 flat angles P-C4'-P energy: -67.190 tors. eta vs tors. theta energy: -124.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1468.476477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.476477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.476477 (E_RNA) where: Base-Base interactions energy: -964.896 where: short stacking energy: -437.207 Base-Backbone interact. energy: -1.762 local terms energy: -501.818175 where: bonds (distance) C4'-P energy: -91.614 bonds (distance) P-C4' energy: -95.304 flat angles C4'-P-C4' energy: -103.993 flat angles P-C4'-P energy: -70.323 tors. eta vs tors. theta energy: -140.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1340.861256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.861256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.861256 (E_RNA) where: Base-Base interactions energy: -860.557 where: short stacking energy: -401.314 Base-Backbone interact. energy: -1.521 local terms energy: -478.784152 where: bonds (distance) C4'-P energy: -86.151 bonds (distance) P-C4' energy: -91.370 flat angles C4'-P-C4' energy: -107.240 flat angles P-C4'-P energy: -68.379 tors. eta vs tors. theta energy: -125.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1319.684880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.684880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.684880 (E_RNA) where: Base-Base interactions energy: -841.303 where: short stacking energy: -373.360 Base-Backbone interact. energy: -6.052 local terms energy: -472.329898 where: bonds (distance) C4'-P energy: -88.170 bonds (distance) P-C4' energy: -105.280 flat angles C4'-P-C4' energy: -95.993 flat angles P-C4'-P energy: -75.282 tors. eta vs tors. theta energy: -107.604 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: 7 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1131.596191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.596191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.596191 (E_RNA) where: Base-Base interactions energy: -746.800 where: short stacking energy: -347.812 Base-Backbone interact. energy: -0.293 local terms energy: -384.503206 where: bonds (distance) C4'-P energy: -80.279 bonds (distance) P-C4' energy: -74.864 flat angles C4'-P-C4' energy: -90.705 flat angles P-C4'-P energy: -55.126 tors. eta vs tors. theta energy: -83.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1052.190127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.190127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.190127 (E_RNA) where: Base-Base interactions energy: -669.844 where: short stacking energy: -344.320 Base-Backbone interact. energy: -2.194 local terms energy: -380.152106 where: bonds (distance) C4'-P energy: -73.310 bonds (distance) P-C4' energy: -90.496 flat angles C4'-P-C4' energy: -80.523 flat angles P-C4'-P energy: -65.228 tors. eta vs tors. theta energy: -70.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -857.449980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.449980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.449980 (E_RNA) where: Base-Base interactions energy: -517.877 where: short stacking energy: -252.313 Base-Backbone interact. energy: -2.691 local terms energy: -336.881906 where: bonds (distance) C4'-P energy: -75.831 bonds (distance) P-C4' energy: -88.087 flat angles C4'-P-C4' energy: -79.785 flat angles P-C4'-P energy: -54.231 tors. eta vs tors. theta energy: -38.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -711.406585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.406585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.406585 (E_RNA) where: Base-Base interactions energy: -383.271 where: short stacking energy: -194.749 Base-Backbone interact. energy: -0.399 local terms energy: -327.736641 where: bonds (distance) C4'-P energy: -85.825 bonds (distance) P-C4' energy: -94.277 flat angles C4'-P-C4' energy: -70.022 flat angles P-C4'-P energy: -55.896 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: 9, replica: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -557.769814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.769814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.769814 (E_RNA) where: Base-Base interactions energy: -263.253 where: short stacking energy: -164.772 Base-Backbone interact. energy: 0.031 local terms energy: -294.547927 where: bonds (distance) C4'-P energy: -84.212 bonds (distance) P-C4' energy: -81.650 flat angles C4'-P-C4' energy: -71.526 flat angles P-C4'-P energy: -37.300 tors. eta vs tors. theta energy: -19.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -383.222520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.222520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.222520 (E_RNA) where: Base-Base interactions energy: -144.746 where: short stacking energy: -106.844 Base-Backbone interact. energy: 1.767 local terms energy: -240.243265 where: bonds (distance) C4'-P energy: -60.869 bonds (distance) P-C4' energy: -68.653 flat angles C4'-P-C4' energy: -80.810 flat angles P-C4'-P energy: -40.654 tors. eta vs tors. theta energy: 10.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1502.008513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.008513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.008513 (E_RNA) where: Base-Base interactions energy: -998.810 where: short stacking energy: -460.748 Base-Backbone interact. energy: -1.680 local terms energy: -501.518439 where: bonds (distance) C4'-P energy: -96.564 bonds (distance) P-C4' energy: -99.107 flat angles C4'-P-C4' energy: -101.201 flat angles P-C4'-P energy: -64.672 tors. eta vs tors. theta energy: -139.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1508.637952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.637952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.637952 (E_RNA) where: Base-Base interactions energy: -1010.279 where: short stacking energy: -439.096 Base-Backbone interact. energy: -2.411 local terms energy: -495.948094 where: bonds (distance) C4'-P energy: -91.416 bonds (distance) P-C4' energy: -97.906 flat angles C4'-P-C4' energy: -105.171 flat angles P-C4'-P energy: -70.637 tors. eta vs tors. theta energy: -130.818 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: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1352.294373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.294373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.294373 (E_RNA) where: Base-Base interactions energy: -872.401 where: short stacking energy: -428.293 Base-Backbone interact. energy: 2.266 local terms energy: -482.159696 where: bonds (distance) C4'-P energy: -89.642 bonds (distance) P-C4' energy: -93.993 flat angles C4'-P-C4' energy: -90.163 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -128.567 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: 458 Temperature: 1.050000 Total energy: -1347.514198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.514198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.514198 (E_RNA) where: Base-Base interactions energy: -913.791 where: short stacking energy: -385.158 Base-Backbone interact. energy: -2.792 local terms energy: -430.931667 where: bonds (distance) C4'-P energy: -90.794 bonds (distance) P-C4' energy: -80.994 flat angles C4'-P-C4' energy: -94.150 flat angles P-C4'-P energy: -66.189 tors. eta vs tors. theta energy: -98.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1152.192544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.192544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.192544 (E_RNA) where: Base-Base interactions energy: -715.784 where: short stacking energy: -346.132 Base-Backbone interact. energy: -2.496 local terms energy: -433.913104 where: bonds (distance) C4'-P energy: -90.088 bonds (distance) P-C4' energy: -100.359 flat angles C4'-P-C4' energy: -94.555 flat angles P-C4'-P energy: -59.780 tors. eta vs tors. theta energy: -89.132 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: 2 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1045.225914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.225914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.225914 (E_RNA) where: Base-Base interactions energy: -677.520 where: short stacking energy: -305.709 Base-Backbone interact. energy: 0.067 local terms energy: -367.773471 where: bonds (distance) C4'-P energy: -79.727 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -84.585 flat angles P-C4'-P energy: -63.317 tors. eta vs tors. theta energy: -75.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -916.826958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.826958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.826958 (E_RNA) where: Base-Base interactions energy: -564.826 where: short stacking energy: -268.798 Base-Backbone interact. energy: -0.996 local terms energy: -351.004967 where: bonds (distance) C4'-P energy: -68.110 bonds (distance) P-C4' energy: -82.255 flat angles C4'-P-C4' energy: -83.405 flat angles P-C4'-P energy: -55.364 tors. eta vs tors. theta energy: -61.871 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: 458 Temperature: 1.250000 Total energy: -727.742518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.742518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.742518 (E_RNA) where: Base-Base interactions energy: -388.595 where: short stacking energy: -201.462 Base-Backbone interact. energy: -0.966 local terms energy: -338.181172 where: bonds (distance) C4'-P energy: -82.724 bonds (distance) P-C4' energy: -103.134 flat angles C4'-P-C4' energy: -78.604 flat angles P-C4'-P energy: -53.410 tors. eta vs tors. theta energy: -20.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -578.158284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.158284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.158284 (E_RNA) where: Base-Base interactions energy: -303.395 where: short stacking energy: -184.596 Base-Backbone interact. energy: 1.324 local terms energy: -276.086905 where: bonds (distance) C4'-P energy: -83.565 bonds (distance) P-C4' energy: -80.613 flat angles C4'-P-C4' energy: -47.283 flat angles P-C4'-P energy: -41.467 tors. eta vs tors. theta energy: -23.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -385.817080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.817080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.817080 (E_RNA) where: Base-Base interactions energy: -120.253 where: short stacking energy: -107.894 Base-Backbone interact. energy: -1.936 local terms energy: -263.628735 where: bonds (distance) C4'-P energy: -74.613 bonds (distance) P-C4' energy: -96.236 flat angles C4'-P-C4' energy: -59.030 flat angles P-C4'-P energy: -35.200 tors. eta vs tors. theta energy: 1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1494.402634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.402634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.402634 (E_RNA) where: Base-Base interactions energy: -1007.049 where: short stacking energy: -460.401 Base-Backbone interact. energy: -0.044 local terms energy: -487.310175 where: bonds (distance) C4'-P energy: -94.037 bonds (distance) P-C4' energy: -86.845 flat angles C4'-P-C4' energy: -100.508 flat angles P-C4'-P energy: -70.037 tors. eta vs tors. theta energy: -135.883 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: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1486.431586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.431586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.431586 (E_RNA) where: Base-Base interactions energy: -1005.699 where: short stacking energy: -441.962 Base-Backbone interact. energy: -3.955 local terms energy: -476.777518 where: bonds (distance) C4'-P energy: -93.231 bonds (distance) P-C4' energy: -93.531 flat angles C4'-P-C4' energy: -105.900 flat angles P-C4'-P energy: -59.358 tors. eta vs tors. theta energy: -124.758 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: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1350.305128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.305128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.305128 (E_RNA) where: Base-Base interactions energy: -890.223 where: short stacking energy: -400.578 Base-Backbone interact. energy: -0.274 local terms energy: -459.807552 where: bonds (distance) C4'-P energy: -86.589 bonds (distance) P-C4' energy: -90.995 flat angles C4'-P-C4' energy: -96.184 flat angles P-C4'-P energy: -70.603 tors. eta vs tors. theta energy: -115.437 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: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1325.715722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.715722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.715722 (E_RNA) where: Base-Base interactions energy: -868.533 where: short stacking energy: -373.187 Base-Backbone interact. energy: -4.031 local terms energy: -453.151369 where: bonds (distance) C4'-P energy: -87.032 bonds (distance) P-C4' energy: -95.570 flat angles C4'-P-C4' energy: -97.221 flat angles P-C4'-P energy: -68.576 tors. eta vs tors. theta energy: -104.753 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: 7 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1118.844041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.844041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.844041 (E_RNA) where: Base-Base interactions energy: -706.554 where: short stacking energy: -325.528 Base-Backbone interact. energy: -2.615 local terms energy: -409.675341 where: bonds (distance) C4'-P energy: -97.044 bonds (distance) P-C4' energy: -87.121 flat angles C4'-P-C4' energy: -91.786 flat angles P-C4'-P energy: -54.502 tors. eta vs tors. theta energy: -79.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1055.084825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.084825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.084825 (E_RNA) where: Base-Base interactions energy: -660.776 where: short stacking energy: -318.647 Base-Backbone interact. energy: -0.111 local terms energy: -394.198479 where: bonds (distance) C4'-P energy: -84.035 bonds (distance) P-C4' energy: -89.511 flat angles C4'-P-C4' energy: -98.784 flat angles P-C4'-P energy: -57.700 tors. eta vs tors. theta energy: -64.168 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: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -907.438577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.438577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.438577 (E_RNA) where: Base-Base interactions energy: -560.226 where: short stacking energy: -275.506 Base-Backbone interact. energy: -1.851 local terms energy: -345.361126 where: bonds (distance) C4'-P energy: -74.540 bonds (distance) P-C4' energy: -88.486 flat angles C4'-P-C4' energy: -74.861 flat angles P-C4'-P energy: -60.658 tors. eta vs tors. theta energy: -46.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -726.355365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.355365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.355365 (E_RNA) where: Base-Base interactions energy: -404.742 where: short stacking energy: -203.947 Base-Backbone interact. energy: 0.133 local terms energy: -321.746296 where: bonds (distance) C4'-P energy: -88.099 bonds (distance) P-C4' energy: -90.610 flat angles C4'-P-C4' energy: -76.219 flat angles P-C4'-P energy: -42.588 tors. eta vs tors. theta energy: -24.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -534.308691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.308691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.308691 (E_RNA) where: Base-Base interactions energy: -237.419 where: short stacking energy: -144.564 Base-Backbone interact. energy: 7.183 local terms energy: -304.072662 where: bonds (distance) C4'-P energy: -79.257 bonds (distance) P-C4' energy: -91.508 flat angles C4'-P-C4' energy: -74.893 flat angles P-C4'-P energy: -37.991 tors. eta vs tors. theta energy: -20.424 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: 459 Temperature: 1.350000 Total energy: -389.078895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.078895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.078895 (E_RNA) where: Base-Base interactions energy: -146.367 where: short stacking energy: -113.992 Base-Backbone interact. energy: -0.354 local terms energy: -242.357805 where: bonds (distance) C4'-P energy: -86.022 bonds (distance) P-C4' energy: -77.689 flat angles C4'-P-C4' energy: -62.710 flat angles P-C4'-P energy: -45.528 tors. eta vs tors. theta energy: 29.592 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: 10 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1519.825976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.825976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.825976 (E_RNA) where: Base-Base interactions energy: -1012.165 where: short stacking energy: -475.946 Base-Backbone interact. energy: -0.251 local terms energy: -507.410561 where: bonds (distance) C4'-P energy: -88.989 bonds (distance) P-C4' energy: -92.578 flat angles C4'-P-C4' energy: -103.213 flat angles P-C4'-P energy: -75.794 tors. eta vs tors. theta energy: -146.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1523.379914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.379914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.379914 (E_RNA) where: Base-Base interactions energy: -1033.643 where: short stacking energy: -442.619 Base-Backbone interact. energy: -5.242 local terms energy: -484.495292 where: bonds (distance) C4'-P energy: -96.904 bonds (distance) P-C4' energy: -93.752 flat angles C4'-P-C4' energy: -106.021 flat angles P-C4'-P energy: -55.405 tors. eta vs tors. theta energy: -132.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1326.110513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.110513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.110513 (E_RNA) where: Base-Base interactions energy: -858.625 where: short stacking energy: -419.678 Base-Backbone interact. energy: 0.018 local terms energy: -467.502600 where: bonds (distance) C4'-P energy: -80.151 bonds (distance) P-C4' energy: -94.154 flat angles C4'-P-C4' energy: -108.403 flat angles P-C4'-P energy: -68.632 tors. eta vs tors. theta energy: -116.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1308.399848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.399848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.399848 (E_RNA) where: Base-Base interactions energy: -877.049 where: short stacking energy: -411.663 Base-Backbone interact. energy: 0.032 local terms energy: -431.382806 where: bonds (distance) C4'-P energy: -86.121 bonds (distance) P-C4' energy: -95.657 flat angles C4'-P-C4' energy: -89.194 flat angles P-C4'-P energy: -54.419 tors. eta vs tors. theta energy: -105.992 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: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1188.748772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.748772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.748772 (E_RNA) where: Base-Base interactions energy: -762.685 where: short stacking energy: -356.160 Base-Backbone interact. energy: -0.853 local terms energy: -425.210390 where: bonds (distance) C4'-P energy: -92.108 bonds (distance) P-C4' energy: -92.286 flat angles C4'-P-C4' energy: -97.968 flat angles P-C4'-P energy: -57.324 tors. eta vs tors. theta energy: -85.525 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: 2 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1006.665335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.665335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.665335 (E_RNA) where: Base-Base interactions energy: -604.479 where: short stacking energy: -307.334 Base-Backbone interact. energy: -2.018 local terms energy: -400.168736 where: bonds (distance) C4'-P energy: -78.760 bonds (distance) P-C4' energy: -94.647 flat angles C4'-P-C4' energy: -86.721 flat angles P-C4'-P energy: -52.661 tors. eta vs tors. theta energy: -87.379 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: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -925.150458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.150458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.150458 (E_RNA) where: Base-Base interactions energy: -564.407 where: short stacking energy: -275.358 Base-Backbone interact. energy: -1.104 local terms energy: -359.638780 where: bonds (distance) C4'-P energy: -72.361 bonds (distance) P-C4' energy: -82.055 flat angles C4'-P-C4' energy: -93.802 flat angles P-C4'-P energy: -58.713 tors. eta vs tors. theta energy: -52.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -716.315792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.315792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.315792 (E_RNA) where: Base-Base interactions energy: -410.961 where: short stacking energy: -211.576 Base-Backbone interact. energy: 1.552 local terms energy: -306.906521 where: bonds (distance) C4'-P energy: -86.445 bonds (distance) P-C4' energy: -71.098 flat angles C4'-P-C4' energy: -70.600 flat angles P-C4'-P energy: -49.961 tors. eta vs tors. theta energy: -28.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -572.420400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.420400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.420400 (E_RNA) where: Base-Base interactions energy: -279.802 where: short stacking energy: -172.042 Base-Backbone interact. energy: -1.132 local terms energy: -291.485982 where: bonds (distance) C4'-P energy: -74.757 bonds (distance) P-C4' energy: -87.942 flat angles C4'-P-C4' energy: -65.576 flat angles P-C4'-P energy: -55.192 tors. eta vs tors. theta energy: -8.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -392.953665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.953665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.953665 (E_RNA) where: Base-Base interactions energy: -173.760 where: short stacking energy: -104.148 Base-Backbone interact. energy: 0.330 local terms energy: -219.523019 where: bonds (distance) C4'-P energy: -70.670 bonds (distance) P-C4' energy: -79.184 flat angles C4'-P-C4' energy: -65.141 flat angles P-C4'-P energy: -33.721 tors. eta vs tors. theta energy: 29.193 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: 1, replica: 10 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1523.324925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.324925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.324925 (E_RNA) where: Base-Base interactions energy: -1012.299 where: short stacking energy: -465.800 Base-Backbone interact. energy: -0.572 local terms energy: -510.454002 where: bonds (distance) C4'-P energy: -89.691 bonds (distance) P-C4' energy: -98.218 flat angles C4'-P-C4' energy: -112.862 flat angles P-C4'-P energy: -75.854 tors. eta vs tors. theta energy: -133.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1521.426742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.426742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.426742 (E_RNA) where: Base-Base interactions energy: -1023.471 where: short stacking energy: -433.193 Base-Backbone interact. energy: -2.570 local terms energy: -495.386219 where: bonds (distance) C4'-P energy: -97.794 bonds (distance) P-C4' energy: -97.680 flat angles C4'-P-C4' energy: -100.204 flat angles P-C4'-P energy: -62.337 tors. eta vs tors. theta energy: -137.371 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: 4 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1309.412721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.412721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.412721 (E_RNA) where: Base-Base interactions energy: -841.786 where: short stacking energy: -396.910 Base-Backbone interact. energy: -2.598 local terms energy: -465.028547 where: bonds (distance) C4'-P energy: -94.779 bonds (distance) P-C4' energy: -91.774 flat angles C4'-P-C4' energy: -103.510 flat angles P-C4'-P energy: -70.298 tors. eta vs tors. theta energy: -104.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1281.070056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.070056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.070056 (E_RNA) where: Base-Base interactions energy: -856.604 where: short stacking energy: -381.762 Base-Backbone interact. energy: 2.123 local terms energy: -426.589175 where: bonds (distance) C4'-P energy: -87.187 bonds (distance) P-C4' energy: -84.330 flat angles C4'-P-C4' energy: -98.011 flat angles P-C4'-P energy: -62.749 tors. eta vs tors. theta energy: -94.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1152.740627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.740627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.740627 (E_RNA) where: Base-Base interactions energy: -765.685 where: short stacking energy: -330.479 Base-Backbone interact. energy: -1.201 local terms energy: -385.854339 where: bonds (distance) C4'-P energy: -90.501 bonds (distance) P-C4' energy: -80.740 flat angles C4'-P-C4' energy: -83.123 flat angles P-C4'-P energy: -57.235 tors. eta vs tors. theta energy: -74.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1041.274788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.274788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.274788 (E_RNA) where: Base-Base interactions energy: -680.591 where: short stacking energy: -332.933 Base-Backbone interact. energy: 2.253 local terms energy: -362.936101 where: bonds (distance) C4'-P energy: -70.134 bonds (distance) P-C4' energy: -79.625 flat angles C4'-P-C4' energy: -94.269 flat angles P-C4'-P energy: -47.017 tors. eta vs tors. theta energy: -71.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -947.609211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.609211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.609211 (E_RNA) where: Base-Base interactions energy: -570.761 where: short stacking energy: -261.887 Base-Backbone interact. energy: -0.661 local terms energy: -376.187317 where: bonds (distance) C4'-P energy: -93.389 bonds (distance) P-C4' energy: -84.985 flat angles C4'-P-C4' energy: -74.515 flat angles P-C4'-P energy: -59.510 tors. eta vs tors. theta energy: -63.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -725.092431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.092431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.092431 (E_RNA) where: Base-Base interactions energy: -405.619 where: short stacking energy: -211.796 Base-Backbone interact. energy: 1.246 local terms energy: -320.720212 where: bonds (distance) C4'-P energy: -89.580 bonds (distance) P-C4' energy: -78.130 flat angles C4'-P-C4' energy: -82.742 flat angles P-C4'-P energy: -38.500 tors. eta vs tors. theta energy: -31.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -519.391936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.391936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.391936 (E_RNA) where: Base-Base interactions energy: -260.982 where: short stacking energy: -144.709 Base-Backbone interact. energy: -2.003 local terms energy: -256.406355 where: bonds (distance) C4'-P energy: -86.137 bonds (distance) P-C4' energy: -80.957 flat angles C4'-P-C4' energy: -66.440 flat angles P-C4'-P energy: -39.360 tors. eta vs tors. theta energy: 16.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -432.326541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.326541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.326541 (E_RNA) where: Base-Base interactions energy: -180.133 where: short stacking energy: -107.098 Base-Backbone interact. energy: -2.432 local terms energy: -249.762170 where: bonds (distance) C4'-P energy: -80.108 bonds (distance) P-C4' energy: -83.796 flat angles C4'-P-C4' energy: -63.563 flat angles P-C4'-P energy: -40.388 tors. eta vs tors. theta energy: 18.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1556.711155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.711155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.711155 (E_RNA) where: Base-Base interactions energy: -1055.491 where: short stacking energy: -448.690 Base-Backbone interact. energy: -0.041 local terms energy: -501.179843 where: bonds (distance) C4'-P energy: -99.711 bonds (distance) P-C4' energy: -97.930 flat angles C4'-P-C4' energy: -98.691 flat angles P-C4'-P energy: -68.803 tors. eta vs tors. theta energy: -136.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1501.002086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.002086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.002086 (E_RNA) where: Base-Base interactions energy: -1016.926 where: short stacking energy: -462.398 Base-Backbone interact. energy: 6.060 local terms energy: -490.135911 where: bonds (distance) C4'-P energy: -88.389 bonds (distance) P-C4' energy: -83.631 flat angles C4'-P-C4' energy: -107.353 flat angles P-C4'-P energy: -71.690 tors. eta vs tors. theta energy: -139.073 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: 3, replica: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1336.381989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.381989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.381989 (E_RNA) where: Base-Base interactions energy: -876.361 where: short stacking energy: -384.529 Base-Backbone interact. energy: -5.397 local terms energy: -454.624404 where: bonds (distance) C4'-P energy: -89.087 bonds (distance) P-C4' energy: -97.878 flat angles C4'-P-C4' energy: -96.648 flat angles P-C4'-P energy: -62.465 tors. eta vs tors. theta energy: -108.547 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: 4, replica: 4 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1280.792816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.792816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.792816 (E_RNA) where: Base-Base interactions energy: -848.802 where: short stacking energy: -404.942 Base-Backbone interact. energy: 0.411 local terms energy: -432.401795 where: bonds (distance) C4'-P energy: -67.810 bonds (distance) P-C4' energy: -92.518 flat angles C4'-P-C4' energy: -86.248 flat angles P-C4'-P energy: -69.903 tors. eta vs tors. theta energy: -115.923 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: 7 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1161.179477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.179477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.179477 (E_RNA) where: Base-Base interactions energy: -774.503 where: short stacking energy: -344.112 Base-Backbone interact. energy: -0.954 local terms energy: -385.722579 where: bonds (distance) C4'-P energy: -75.743 bonds (distance) P-C4' energy: -79.366 flat angles C4'-P-C4' energy: -102.257 flat angles P-C4'-P energy: -48.628 tors. eta vs tors. theta energy: -79.729 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: 6, replica: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1042.504210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.504210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.504210 (E_RNA) where: Base-Base interactions energy: -673.818 where: short stacking energy: -307.591 Base-Backbone interact. energy: -1.630 local terms energy: -367.056129 where: bonds (distance) C4'-P energy: -82.484 bonds (distance) P-C4' energy: -76.147 flat angles C4'-P-C4' energy: -76.904 flat angles P-C4'-P energy: -54.513 tors. eta vs tors. theta energy: -77.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -917.439951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.439951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.439951 (E_RNA) where: Base-Base interactions energy: -551.262 where: short stacking energy: -262.958 Base-Backbone interact. energy: -1.341 local terms energy: -364.836284 where: bonds (distance) C4'-P energy: -80.797 bonds (distance) P-C4' energy: -89.874 flat angles C4'-P-C4' energy: -87.352 flat angles P-C4'-P energy: -53.055 tors. eta vs tors. theta energy: -53.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -707.700271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.700271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.700271 (E_RNA) where: Base-Base interactions energy: -425.284 where: short stacking energy: -202.002 Base-Backbone interact. energy: -1.986 local terms energy: -280.429691 where: bonds (distance) C4'-P energy: -87.770 bonds (distance) P-C4' energy: -77.955 flat angles C4'-P-C4' energy: -65.535 flat angles P-C4'-P energy: -39.079 tors. eta vs tors. theta energy: -10.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -504.981989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.981989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.981989 (E_RNA) where: Base-Base interactions energy: -257.248 where: short stacking energy: -174.059 Base-Backbone interact. energy: -0.454 local terms energy: -247.279802 where: bonds (distance) C4'-P energy: -56.677 bonds (distance) P-C4' energy: -78.954 flat angles C4'-P-C4' energy: -68.084 flat angles P-C4'-P energy: -42.610 tors. eta vs tors. theta energy: -0.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -356.943188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.943188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.943188 (E_RNA) where: Base-Base interactions energy: -124.419 where: short stacking energy: -95.073 Base-Backbone interact. energy: -4.192 local terms energy: -228.332613 where: bonds (distance) C4'-P energy: -67.969 bonds (distance) P-C4' energy: -83.077 flat angles C4'-P-C4' energy: -60.736 flat angles P-C4'-P energy: -31.677 tors. eta vs tors. theta energy: 15.128 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: 8 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1578.988244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.988244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.988244 (E_RNA) where: Base-Base interactions energy: -1087.026 where: short stacking energy: -466.894 Base-Backbone interact. energy: -3.243 local terms energy: -488.718882 where: bonds (distance) C4'-P energy: -88.688 bonds (distance) P-C4' energy: -93.253 flat angles C4'-P-C4' energy: -97.706 flat angles P-C4'-P energy: -68.493 tors. eta vs tors. theta energy: -140.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1469.065563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.065563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.065563 (E_RNA) where: Base-Base interactions energy: -972.886 where: short stacking energy: -450.240 Base-Backbone interact. energy: -2.049 local terms energy: -494.130465 where: bonds (distance) C4'-P energy: -85.714 bonds (distance) P-C4' energy: -93.641 flat angles C4'-P-C4' energy: -102.431 flat angles P-C4'-P energy: -70.506 tors. eta vs tors. theta energy: -141.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1322.323998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.323998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.323998 (E_RNA) where: Base-Base interactions energy: -884.536 where: short stacking energy: -384.501 Base-Backbone interact. energy: -1.362 local terms energy: -436.425599 where: bonds (distance) C4'-P energy: -80.144 bonds (distance) P-C4' energy: -95.587 flat angles C4'-P-C4' energy: -96.492 flat angles P-C4'-P energy: -68.654 tors. eta vs tors. theta energy: -95.548 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: 4 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1251.636165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.636165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.636165 (E_RNA) where: Base-Base interactions energy: -808.002 where: short stacking energy: -376.374 Base-Backbone interact. energy: -0.805 local terms energy: -442.829402 where: bonds (distance) C4'-P energy: -82.143 bonds (distance) P-C4' energy: -92.384 flat angles C4'-P-C4' energy: -99.569 flat angles P-C4'-P energy: -69.357 tors. eta vs tors. theta energy: -99.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1169.376268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.376268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.376268 (E_RNA) where: Base-Base interactions energy: -771.928 where: short stacking energy: -346.491 Base-Backbone interact. energy: -0.613 local terms energy: -396.836176 where: bonds (distance) C4'-P energy: -84.549 bonds (distance) P-C4' energy: -81.351 flat angles C4'-P-C4' energy: -90.665 flat angles P-C4'-P energy: -54.073 tors. eta vs tors. theta energy: -86.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -930.901032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.901032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.901032 (E_RNA) where: Base-Base interactions energy: -590.645 where: short stacking energy: -303.176 Base-Backbone interact. energy: -1.535 local terms energy: -338.720657 where: bonds (distance) C4'-P energy: -62.251 bonds (distance) P-C4' energy: -75.005 flat angles C4'-P-C4' energy: -92.513 flat angles P-C4'-P energy: -50.818 tors. eta vs tors. theta energy: -58.134 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: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -928.081900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.081900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.081900 (E_RNA) where: Base-Base interactions energy: -547.564 where: short stacking energy: -270.414 Base-Backbone interact. energy: -0.207 local terms energy: -380.310395 where: bonds (distance) C4'-P energy: -80.742 bonds (distance) P-C4' energy: -85.528 flat angles C4'-P-C4' energy: -85.654 flat angles P-C4'-P energy: -60.780 tors. eta vs tors. theta energy: -67.606 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: 463 Temperature: 1.250000 Total energy: -706.814639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.814639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.814639 (E_RNA) where: Base-Base interactions energy: -378.578 where: short stacking energy: -170.259 Base-Backbone interact. energy: -0.902 local terms energy: -327.334286 where: bonds (distance) C4'-P energy: -93.672 bonds (distance) P-C4' energy: -70.430 flat angles C4'-P-C4' energy: -88.021 flat angles P-C4'-P energy: -52.016 tors. eta vs tors. theta energy: -23.195 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: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -552.854849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.854849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.854849 (E_RNA) where: Base-Base interactions energy: -259.860 where: short stacking energy: -148.530 Base-Backbone interact. energy: 1.877 local terms energy: -294.872387 where: bonds (distance) C4'-P energy: -68.479 bonds (distance) P-C4' energy: -93.249 flat angles C4'-P-C4' energy: -86.974 flat angles P-C4'-P energy: -40.678 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: 10, replica: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -377.280830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.280830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.280830 (E_RNA) where: Base-Base interactions energy: -124.801 where: short stacking energy: -111.159 Base-Backbone interact. energy: -2.556 local terms energy: -249.923777 where: bonds (distance) C4'-P energy: -74.559 bonds (distance) P-C4' energy: -75.314 flat angles C4'-P-C4' energy: -65.801 flat angles P-C4'-P energy: -40.397 tors. eta vs tors. theta energy: 6.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1572.067343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.067343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.067343 (E_RNA) where: Base-Base interactions energy: -1071.292 where: short stacking energy: -461.968 Base-Backbone interact. energy: -4.985 local terms energy: -495.790852 where: bonds (distance) C4'-P energy: -98.503 bonds (distance) P-C4' energy: -88.255 flat angles C4'-P-C4' energy: -102.573 flat angles P-C4'-P energy: -63.291 tors. eta vs tors. theta energy: -143.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1491.381211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.381211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.381211 (E_RNA) where: Base-Base interactions energy: -1005.955 where: short stacking energy: -461.029 Base-Backbone interact. energy: -0.470 local terms energy: -484.956701 where: bonds (distance) C4'-P energy: -101.564 bonds (distance) P-C4' energy: -90.554 flat angles C4'-P-C4' energy: -98.193 flat angles P-C4'-P energy: -54.531 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: 3, replica: 6 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1332.909441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.909441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.909441 (E_RNA) where: Base-Base interactions energy: -871.046 where: short stacking energy: -389.497 Base-Backbone interact. energy: -2.701 local terms energy: -459.162554 where: bonds (distance) C4'-P energy: -103.242 bonds (distance) P-C4' energy: -86.415 flat angles C4'-P-C4' energy: -99.685 flat angles P-C4'-P energy: -72.352 tors. eta vs tors. theta energy: -97.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1265.641697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.641697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.641697 (E_RNA) where: Base-Base interactions energy: -836.470 where: short stacking energy: -410.504 Base-Backbone interact. energy: -0.521 local terms energy: -428.650706 where: bonds (distance) C4'-P energy: -69.559 bonds (distance) P-C4' energy: -87.889 flat angles C4'-P-C4' energy: -94.812 flat angles P-C4'-P energy: -63.610 tors. eta vs tors. theta energy: -112.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1175.229983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.229983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.229983 (E_RNA) where: Base-Base interactions energy: -758.623 where: short stacking energy: -333.397 Base-Backbone interact. energy: -2.081 local terms energy: -414.525893 where: bonds (distance) C4'-P energy: -93.901 bonds (distance) P-C4' energy: -79.281 flat angles C4'-P-C4' energy: -75.218 flat angles P-C4'-P energy: -78.519 tors. eta vs tors. theta energy: -87.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1020.934610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.934610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.934610 (E_RNA) where: Base-Base interactions energy: -627.856 where: short stacking energy: -308.193 Base-Backbone interact. energy: -1.587 local terms energy: -391.491743 where: bonds (distance) C4'-P energy: -83.815 bonds (distance) P-C4' energy: -81.643 flat angles C4'-P-C4' energy: -98.358 flat angles P-C4'-P energy: -49.816 tors. eta vs tors. theta energy: -77.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -915.100684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.100684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.100684 (E_RNA) where: Base-Base interactions energy: -541.833 where: short stacking energy: -259.958 Base-Backbone interact. energy: -2.919 local terms energy: -370.348763 where: bonds (distance) C4'-P energy: -93.183 bonds (distance) P-C4' energy: -83.073 flat angles C4'-P-C4' energy: -66.885 flat angles P-C4'-P energy: -66.471 tors. eta vs tors. theta energy: -60.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -723.807068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.807068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.807068 (E_RNA) where: Base-Base interactions energy: -412.178 where: short stacking energy: -174.370 Base-Backbone interact. energy: 1.885 local terms energy: -313.514016 where: bonds (distance) C4'-P energy: -82.480 bonds (distance) P-C4' energy: -87.399 flat angles C4'-P-C4' energy: -82.120 flat angles P-C4'-P energy: -35.384 tors. eta vs tors. theta energy: -26.131 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: 9, replica: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -546.172982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.172982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.172982 (E_RNA) where: Base-Base interactions energy: -265.626 where: short stacking energy: -164.378 Base-Backbone interact. energy: 2.729 local terms energy: -283.276082 where: bonds (distance) C4'-P energy: -86.710 bonds (distance) P-C4' energy: -77.437 flat angles C4'-P-C4' energy: -70.904 flat angles P-C4'-P energy: -44.825 tors. eta vs tors. theta energy: -3.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -362.418275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.418275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.418275 (E_RNA) where: Base-Base interactions energy: -112.243 where: short stacking energy: -102.247 Base-Backbone interact. energy: -2.197 local terms energy: -247.978413 where: bonds (distance) C4'-P energy: -70.904 bonds (distance) P-C4' energy: -95.062 flat angles C4'-P-C4' energy: -76.522 flat angles P-C4'-P energy: -32.259 tors. eta vs tors. theta energy: 26.768 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: 8 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1573.050402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.050402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.050402 (E_RNA) where: Base-Base interactions energy: -1079.198 where: short stacking energy: -462.327 Base-Backbone interact. energy: -3.465 local terms energy: -490.387344 where: bonds (distance) C4'-P energy: -91.583 bonds (distance) P-C4' energy: -93.857 flat angles C4'-P-C4' energy: -112.920 flat angles P-C4'-P energy: -54.532 tors. eta vs tors. theta energy: -137.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1477.250185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.250185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.250185 (E_RNA) where: Base-Base interactions energy: -988.357 where: short stacking energy: -466.364 Base-Backbone interact. energy: 0.313 local terms energy: -489.205937 where: bonds (distance) C4'-P energy: -86.102 bonds (distance) P-C4' energy: -96.751 flat angles C4'-P-C4' energy: -99.642 flat angles P-C4'-P energy: -69.932 tors. eta vs tors. theta energy: -136.779 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: 6 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1298.517252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.517252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.517252 (E_RNA) where: Base-Base interactions energy: -873.792 where: short stacking energy: -379.313 Base-Backbone interact. energy: -1.005 local terms energy: -423.720400 where: bonds (distance) C4'-P energy: -79.173 bonds (distance) P-C4' energy: -89.510 flat angles C4'-P-C4' energy: -100.385 flat angles P-C4'-P energy: -63.880 tors. eta vs tors. theta energy: -90.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1296.545787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.545787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.545787 (E_RNA) where: Base-Base interactions energy: -855.509 where: short stacking energy: -412.037 Base-Backbone interact. energy: -1.416 local terms energy: -439.620958 where: bonds (distance) C4'-P energy: -92.510 bonds (distance) P-C4' energy: -86.596 flat angles C4'-P-C4' energy: -89.497 flat angles P-C4'-P energy: -61.872 tors. eta vs tors. theta energy: -109.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1192.668414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.668414 (E_RNA) where: Base-Base interactions energy: -783.523 where: short stacking energy: -358.315 Base-Backbone interact. energy: 1.091 local terms energy: -410.236295 where: bonds (distance) C4'-P energy: -78.133 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -103.039 flat angles P-C4'-P energy: -49.258 tors. eta vs tors. theta energy: -93.652 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: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -974.277947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.277947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.277947 (E_RNA) where: Base-Base interactions energy: -587.086 where: short stacking energy: -276.627 Base-Backbone interact. energy: -0.400 local terms energy: -386.792408 where: bonds (distance) C4'-P energy: -61.207 bonds (distance) P-C4' energy: -97.196 flat angles C4'-P-C4' energy: -96.188 flat angles P-C4'-P energy: -60.331 tors. eta vs tors. theta energy: -71.870 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: 2 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -881.757040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.757040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.757040 (E_RNA) where: Base-Base interactions energy: -513.975 where: short stacking energy: -258.749 Base-Backbone interact. energy: 1.639 local terms energy: -369.420717 where: bonds (distance) C4'-P energy: -78.230 bonds (distance) P-C4' energy: -92.427 flat angles C4'-P-C4' energy: -100.097 flat angles P-C4'-P energy: -43.143 tors. eta vs tors. theta energy: -55.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -738.481418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.481418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.481418 (E_RNA) where: Base-Base interactions energy: -424.337 where: short stacking energy: -222.979 Base-Backbone interact. energy: 0.100 local terms energy: -314.244416 where: bonds (distance) C4'-P energy: -82.563 bonds (distance) P-C4' energy: -69.070 flat angles C4'-P-C4' energy: -79.833 flat angles P-C4'-P energy: -46.403 tors. eta vs tors. theta energy: -36.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -548.226166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.226166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.226166 (E_RNA) where: Base-Base interactions energy: -257.775 where: short stacking energy: -165.248 Base-Backbone interact. energy: 0.523 local terms energy: -290.974151 where: bonds (distance) C4'-P energy: -91.584 bonds (distance) P-C4' energy: -86.681 flat angles C4'-P-C4' energy: -53.775 flat angles P-C4'-P energy: -39.643 tors. eta vs tors. theta energy: -19.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -380.834096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.834096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.834096 (E_RNA) where: Base-Base interactions energy: -124.667 where: short stacking energy: -105.542 Base-Backbone interact. energy: 2.429 local terms energy: -258.595969 where: bonds (distance) C4'-P energy: -85.245 bonds (distance) P-C4' energy: -95.318 flat angles C4'-P-C4' energy: -59.127 flat angles P-C4'-P energy: -39.257 tors. eta vs tors. theta energy: 20.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1555.012873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.012873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.012873 (E_RNA) where: Base-Base interactions energy: -1075.851 where: short stacking energy: -442.419 Base-Backbone interact. energy: -4.135 local terms energy: -475.026960 where: bonds (distance) C4'-P energy: -90.451 bonds (distance) P-C4' energy: -84.618 flat angles C4'-P-C4' energy: -101.048 flat angles P-C4'-P energy: -67.819 tors. eta vs tors. theta energy: -131.090 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: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1469.310421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.310421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.310421 (E_RNA) where: Base-Base interactions energy: -963.665 where: short stacking energy: -457.696 Base-Backbone interact. energy: 0.516 local terms energy: -506.161861 where: bonds (distance) C4'-P energy: -97.215 bonds (distance) P-C4' energy: -105.394 flat angles C4'-P-C4' energy: -101.292 flat angles P-C4'-P energy: -72.588 tors. eta vs tors. theta energy: -129.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1355.820276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.820276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.820276 (E_RNA) where: Base-Base interactions energy: -883.595 where: short stacking energy: -393.026 Base-Backbone interact. energy: 0.376 local terms energy: -472.601404 where: bonds (distance) C4'-P energy: -99.637 bonds (distance) P-C4' energy: -101.943 flat angles C4'-P-C4' energy: -96.502 flat angles P-C4'-P energy: -56.865 tors. eta vs tors. theta energy: -117.655 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: 466 Temperature: 1.050000 Total energy: -1281.043451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.043451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.043451 (E_RNA) where: Base-Base interactions energy: -836.296 where: short stacking energy: -390.690 Base-Backbone interact. energy: -0.314 local terms energy: -444.432671 where: bonds (distance) C4'-P energy: -98.182 bonds (distance) P-C4' energy: -83.812 flat angles C4'-P-C4' energy: -89.593 flat angles P-C4'-P energy: -65.045 tors. eta vs tors. theta energy: -107.800 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: 5, replica: 7 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1153.811571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.811571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.811571 (E_RNA) where: Base-Base interactions energy: -738.825 where: short stacking energy: -341.811 Base-Backbone interact. energy: -1.856 local terms energy: -413.130153 where: bonds (distance) C4'-P energy: -90.037 bonds (distance) P-C4' energy: -73.752 flat angles C4'-P-C4' energy: -99.277 flat angles P-C4'-P energy: -54.811 tors. eta vs tors. theta energy: -95.253 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: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -968.724689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.724689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.724689 (E_RNA) where: Base-Base interactions energy: -591.371 where: short stacking energy: -305.047 Base-Backbone interact. energy: -1.420 local terms energy: -375.933941 where: bonds (distance) C4'-P energy: -88.700 bonds (distance) P-C4' energy: -83.746 flat angles C4'-P-C4' energy: -87.454 flat angles P-C4'-P energy: -56.722 tors. eta vs tors. theta energy: -59.313 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: 2 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -882.016528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.016528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.016528 (E_RNA) where: Base-Base interactions energy: -526.361 where: short stacking energy: -256.602 Base-Backbone interact. energy: -0.031 local terms energy: -355.624209 where: bonds (distance) C4'-P energy: -94.088 bonds (distance) P-C4' energy: -64.746 flat angles C4'-P-C4' energy: -93.882 flat angles P-C4'-P energy: -48.842 tors. eta vs tors. theta energy: -54.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -747.100304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.100304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.100304 (E_RNA) where: Base-Base interactions energy: -413.154 where: short stacking energy: -210.667 Base-Backbone interact. energy: -0.499 local terms energy: -333.446933 where: bonds (distance) C4'-P energy: -80.501 bonds (distance) P-C4' energy: -86.156 flat angles C4'-P-C4' energy: -85.922 flat angles P-C4'-P energy: -49.992 tors. eta vs tors. theta energy: -30.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -534.157079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.157079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.157079 (E_RNA) where: Base-Base interactions energy: -249.920 where: short stacking energy: -161.537 Base-Backbone interact. energy: 0.394 local terms energy: -284.631080 where: bonds (distance) C4'-P energy: -77.238 bonds (distance) P-C4' energy: -78.396 flat angles C4'-P-C4' energy: -77.287 flat angles P-C4'-P energy: -41.263 tors. eta vs tors. theta energy: -10.447 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: 466 Temperature: 1.350000 Total energy: -382.897288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.897288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.897288 (E_RNA) where: Base-Base interactions energy: -142.403 where: short stacking energy: -117.836 Base-Backbone interact. energy: 2.270 local terms energy: -242.763738 where: bonds (distance) C4'-P energy: -71.051 bonds (distance) P-C4' energy: -82.633 flat angles C4'-P-C4' energy: -78.367 flat angles P-C4'-P energy: -28.694 tors. eta vs tors. theta energy: 17.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1560.804766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.804766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.804766 (E_RNA) where: Base-Base interactions energy: -1024.564 where: short stacking energy: -443.989 Base-Backbone interact. energy: -4.756 local terms energy: -531.483840 where: bonds (distance) C4'-P energy: -102.702 bonds (distance) P-C4' energy: -103.216 flat angles C4'-P-C4' energy: -103.985 flat angles P-C4'-P energy: -80.577 tors. eta vs tors. theta energy: -141.004 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: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1479.006313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.006313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.006313 (E_RNA) where: Base-Base interactions energy: -976.329 where: short stacking energy: -438.887 Base-Backbone interact. energy: -0.572 local terms energy: -502.104561 where: bonds (distance) C4'-P energy: -92.812 bonds (distance) P-C4' energy: -101.462 flat angles C4'-P-C4' energy: -99.250 flat angles P-C4'-P energy: -78.373 tors. eta vs tors. theta energy: -130.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1328.690674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.690674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.690674 (E_RNA) where: Base-Base interactions energy: -866.823 where: short stacking energy: -387.033 Base-Backbone interact. energy: -3.987 local terms energy: -457.881314 where: bonds (distance) C4'-P energy: -94.168 bonds (distance) P-C4' energy: -102.376 flat angles C4'-P-C4' energy: -100.667 flat angles P-C4'-P energy: -60.332 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: 4, replica: 4 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1297.777866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.777866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.777866 (E_RNA) where: Base-Base interactions energy: -837.655 where: short stacking energy: -415.062 Base-Backbone interact. energy: 0.186 local terms energy: -460.309528 where: bonds (distance) C4'-P energy: -96.909 bonds (distance) P-C4' energy: -83.041 flat angles C4'-P-C4' energy: -91.791 flat angles P-C4'-P energy: -69.873 tors. eta vs tors. theta energy: -118.696 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: 7 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1142.393158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.393158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.393158 (E_RNA) where: Base-Base interactions energy: -729.110 where: short stacking energy: -322.132 Base-Backbone interact. energy: -1.259 local terms energy: -412.024609 where: bonds (distance) C4'-P energy: -86.459 bonds (distance) P-C4' energy: -93.187 flat angles C4'-P-C4' energy: -92.487 flat angles P-C4'-P energy: -56.487 tors. eta vs tors. theta energy: -83.403 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: 467 Temperature: 1.150000 Total energy: -932.687669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.687669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.687669 (E_RNA) where: Base-Base interactions energy: -570.653 where: short stacking energy: -278.089 Base-Backbone interact. energy: -1.253 local terms energy: -360.780877 where: bonds (distance) C4'-P energy: -91.466 bonds (distance) P-C4' energy: -71.737 flat angles C4'-P-C4' energy: -80.311 flat angles P-C4'-P energy: -58.522 tors. eta vs tors. theta energy: -58.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -876.722806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.722806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.722806 (E_RNA) where: Base-Base interactions energy: -549.404 where: short stacking energy: -252.006 Base-Backbone interact. energy: 1.157 local terms energy: -328.476035 where: bonds (distance) C4'-P energy: -76.039 bonds (distance) P-C4' energy: -68.810 flat angles C4'-P-C4' energy: -91.389 flat angles P-C4'-P energy: -34.375 tors. eta vs tors. theta energy: -57.862 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: 8, replica: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -740.668477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.668477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.668477 (E_RNA) where: Base-Base interactions energy: -434.761 where: short stacking energy: -213.650 Base-Backbone interact. energy: -3.169 local terms energy: -302.737910 where: bonds (distance) C4'-P energy: -69.568 bonds (distance) P-C4' energy: -86.052 flat angles C4'-P-C4' energy: -73.354 flat angles P-C4'-P energy: -40.743 tors. eta vs tors. theta energy: -33.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -524.493142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.493142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.493142 (E_RNA) where: Base-Base interactions energy: -268.580 where: short stacking energy: -158.884 Base-Backbone interact. energy: 0.354 local terms energy: -256.267089 where: bonds (distance) C4'-P energy: -73.419 bonds (distance) P-C4' energy: -82.651 flat angles C4'-P-C4' energy: -66.409 flat angles P-C4'-P energy: -33.651 tors. eta vs tors. theta energy: -0.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -347.220179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.220179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.220179 (E_RNA) where: Base-Base interactions energy: -103.554 where: short stacking energy: -95.950 Base-Backbone interact. energy: 0.009 local terms energy: -243.675296 where: bonds (distance) C4'-P energy: -78.311 bonds (distance) P-C4' energy: -88.851 flat angles C4'-P-C4' energy: -53.930 flat angles P-C4'-P energy: -49.185 tors. eta vs tors. theta energy: 26.602 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: 1, replica: 8 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1585.198853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.198853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.198853 (E_RNA) where: Base-Base interactions energy: -1051.638 where: short stacking energy: -455.054 Base-Backbone interact. energy: -1.863 local terms energy: -531.697742 where: bonds (distance) C4'-P energy: -95.032 bonds (distance) P-C4' energy: -104.410 flat angles C4'-P-C4' energy: -111.899 flat angles P-C4'-P energy: -73.978 tors. eta vs tors. theta energy: -146.379 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: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1453.741401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.741401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.741401 (E_RNA) where: Base-Base interactions energy: -952.448 where: short stacking energy: -434.480 Base-Backbone interact. energy: -1.297 local terms energy: -499.996017 where: bonds (distance) C4'-P energy: -98.641 bonds (distance) P-C4' energy: -97.777 flat angles C4'-P-C4' energy: -104.638 flat angles P-C4'-P energy: -63.812 tors. eta vs tors. theta energy: -135.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1307.949773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.949773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.949773 (E_RNA) where: Base-Base interactions energy: -881.209 where: short stacking energy: -406.002 Base-Backbone interact. energy: -3.181 local terms energy: -423.559052 where: bonds (distance) C4'-P energy: -78.235 bonds (distance) P-C4' energy: -81.686 flat angles C4'-P-C4' energy: -97.927 flat angles P-C4'-P energy: -56.322 tors. eta vs tors. theta energy: -109.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1276.090581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.090581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.090581 (E_RNA) where: Base-Base interactions energy: -815.003 where: short stacking energy: -396.190 Base-Backbone interact. energy: 1.761 local terms energy: -462.848689 where: bonds (distance) C4'-P energy: -91.248 bonds (distance) P-C4' energy: -88.556 flat angles C4'-P-C4' energy: -111.048 flat angles P-C4'-P energy: -62.430 tors. eta vs tors. theta energy: -109.566 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: 7 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1197.982813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.982813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.982813 (E_RNA) where: Base-Base interactions energy: -783.826 where: short stacking energy: -355.702 Base-Backbone interact. energy: -2.342 local terms energy: -411.815065 where: bonds (distance) C4'-P energy: -78.076 bonds (distance) P-C4' energy: -85.355 flat angles C4'-P-C4' energy: -99.175 flat angles P-C4'-P energy: -49.726 tors. eta vs tors. theta energy: -99.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -968.151226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.151226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.151226 (E_RNA) where: Base-Base interactions energy: -576.212 where: short stacking energy: -280.452 Base-Backbone interact. energy: 0.663 local terms energy: -392.602031 where: bonds (distance) C4'-P energy: -97.447 bonds (distance) P-C4' energy: -78.154 flat angles C4'-P-C4' energy: -92.419 flat angles P-C4'-P energy: -62.402 tors. eta vs tors. theta energy: -62.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -873.242616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.242616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.242616 (E_RNA) where: Base-Base interactions energy: -508.245 where: short stacking energy: -256.221 Base-Backbone interact. energy: -0.068 local terms energy: -364.929782 where: bonds (distance) C4'-P energy: -90.967 bonds (distance) P-C4' energy: -81.993 flat angles C4'-P-C4' energy: -80.850 flat angles P-C4'-P energy: -59.369 tors. eta vs tors. theta energy: -51.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -744.753015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.753015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.753015 (E_RNA) where: Base-Base interactions energy: -417.562 where: short stacking energy: -208.005 Base-Backbone interact. energy: 1.368 local terms energy: -328.559198 where: bonds (distance) C4'-P energy: -83.225 bonds (distance) P-C4' energy: -90.179 flat angles C4'-P-C4' energy: -77.381 flat angles P-C4'-P energy: -43.417 tors. eta vs tors. theta energy: -34.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -603.383920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.383920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.383920 (E_RNA) where: Base-Base interactions energy: -311.663 where: short stacking energy: -171.463 Base-Backbone interact. energy: 2.243 local terms energy: -293.963860 where: bonds (distance) C4'-P energy: -76.733 bonds (distance) P-C4' energy: -82.069 flat angles C4'-P-C4' energy: -66.443 flat angles P-C4'-P energy: -41.132 tors. eta vs tors. theta energy: -27.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -383.738433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.738433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.738433 (E_RNA) where: Base-Base interactions energy: -114.166 where: short stacking energy: -97.062 Base-Backbone interact. energy: 8.408 local terms energy: -277.979867 where: bonds (distance) C4'-P energy: -88.551 bonds (distance) P-C4' energy: -93.116 flat angles C4'-P-C4' energy: -69.233 flat angles P-C4'-P energy: -42.879 tors. eta vs tors. theta energy: 15.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1561.351094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.351094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.351094 (E_RNA) where: Base-Base interactions energy: -1057.375 where: short stacking energy: -451.773 Base-Backbone interact. energy: -3.621 local terms energy: -500.355190 where: bonds (distance) C4'-P energy: -94.925 bonds (distance) P-C4' energy: -91.441 flat angles C4'-P-C4' energy: -110.953 flat angles P-C4'-P energy: -68.961 tors. eta vs tors. theta energy: -134.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1489.043936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.043936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.043936 (E_RNA) where: Base-Base interactions energy: -982.183 where: short stacking energy: -479.056 Base-Backbone interact. energy: -1.626 local terms energy: -505.234666 where: bonds (distance) C4'-P energy: -95.624 bonds (distance) P-C4' energy: -92.796 flat angles C4'-P-C4' energy: -98.309 flat angles P-C4'-P energy: -73.702 tors. eta vs tors. theta energy: -144.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1306.259133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.259133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.259133 (E_RNA) where: Base-Base interactions energy: -857.270 where: short stacking energy: -379.191 Base-Backbone interact. energy: -2.531 local terms energy: -446.458037 where: bonds (distance) C4'-P energy: -90.019 bonds (distance) P-C4' energy: -101.755 flat angles C4'-P-C4' energy: -99.092 flat angles P-C4'-P energy: -54.916 tors. eta vs tors. theta energy: -100.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1272.260992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.260992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.260992 (E_RNA) where: Base-Base interactions energy: -826.019 where: short stacking energy: -382.097 Base-Backbone interact. energy: -2.661 local terms energy: -443.581773 where: bonds (distance) C4'-P energy: -81.569 bonds (distance) P-C4' energy: -100.012 flat angles C4'-P-C4' energy: -99.847 flat angles P-C4'-P energy: -58.181 tors. eta vs tors. theta energy: -103.972 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: 7 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1191.160214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.160214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.160214 (E_RNA) where: Base-Base interactions energy: -756.347 where: short stacking energy: -347.480 Base-Backbone interact. energy: -1.010 local terms energy: -433.803864 where: bonds (distance) C4'-P energy: -87.825 bonds (distance) P-C4' energy: -99.517 flat angles C4'-P-C4' energy: -102.783 flat angles P-C4'-P energy: -56.964 tors. eta vs tors. theta energy: -86.716 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: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -966.689887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.689887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.689887 (E_RNA) where: Base-Base interactions energy: -578.051 where: short stacking energy: -295.422 Base-Backbone interact. energy: 5.463 local terms energy: -394.101821 where: bonds (distance) C4'-P energy: -88.220 bonds (distance) P-C4' energy: -86.459 flat angles C4'-P-C4' energy: -86.845 flat angles P-C4'-P energy: -51.171 tors. eta vs tors. theta energy: -81.407 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: 7, replica: 1 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -852.407312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.407312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.407312 (E_RNA) where: Base-Base interactions energy: -518.030 where: short stacking energy: -221.382 Base-Backbone interact. energy: 0.334 local terms energy: -334.711420 where: bonds (distance) C4'-P energy: -95.971 bonds (distance) P-C4' energy: -79.976 flat angles C4'-P-C4' energy: -68.115 flat angles P-C4'-P energy: -49.136 tors. eta vs tors. theta energy: -41.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -771.715941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.715941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.715941 (E_RNA) where: Base-Base interactions energy: -461.747 where: short stacking energy: -212.533 Base-Backbone interact. energy: 2.287 local terms energy: -312.255804 where: bonds (distance) C4'-P energy: -78.482 bonds (distance) P-C4' energy: -86.795 flat angles C4'-P-C4' energy: -65.818 flat angles P-C4'-P energy: -58.496 tors. eta vs tors. theta energy: -22.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -614.586092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.586092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.586092 (E_RNA) where: Base-Base interactions energy: -324.017 where: short stacking energy: -181.028 Base-Backbone interact. energy: 0.255 local terms energy: -290.823456 where: bonds (distance) C4'-P energy: -74.209 bonds (distance) P-C4' energy: -82.553 flat angles C4'-P-C4' energy: -77.021 flat angles P-C4'-P energy: -39.884 tors. eta vs tors. theta energy: -17.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -357.855424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.855424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.855424 (E_RNA) where: Base-Base interactions energy: -133.335 where: short stacking energy: -99.013 Base-Backbone interact. energy: -0.522 local terms energy: -223.998717 where: bonds (distance) C4'-P energy: -63.677 bonds (distance) P-C4' energy: -80.740 flat angles C4'-P-C4' energy: -60.839 flat angles P-C4'-P energy: -39.353 tors. eta vs tors. theta energy: 20.611 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: 8 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1566.408727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.408727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.408727 (E_RNA) where: Base-Base interactions energy: -1067.205 where: short stacking energy: -461.159 Base-Backbone interact. energy: -1.378 local terms energy: -497.825908 where: bonds (distance) C4'-P energy: -96.881 bonds (distance) P-C4' energy: -103.515 flat angles C4'-P-C4' energy: -100.894 flat angles P-C4'-P energy: -54.360 tors. eta vs tors. theta energy: -142.176 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: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1483.140114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.140114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.140114 (E_RNA) where: Base-Base interactions energy: -968.359 where: short stacking energy: -440.013 Base-Backbone interact. energy: -2.290 local terms energy: -512.491151 where: bonds (distance) C4'-P energy: -95.012 bonds (distance) P-C4' energy: -102.670 flat angles C4'-P-C4' energy: -104.029 flat angles P-C4'-P energy: -68.055 tors. eta vs tors. theta energy: -142.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1341.000575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.000575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.000575 (E_RNA) where: Base-Base interactions energy: -884.203 where: short stacking energy: -426.796 Base-Backbone interact. energy: -1.333 local terms energy: -455.464615 where: bonds (distance) C4'-P energy: -78.214 bonds (distance) P-C4' energy: -98.608 flat angles C4'-P-C4' energy: -99.450 flat angles P-C4'-P energy: -59.220 tors. eta vs tors. theta energy: -119.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1239.530736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.530736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.530736 (E_RNA) where: Base-Base interactions energy: -813.925 where: short stacking energy: -350.837 Base-Backbone interact. energy: 1.971 local terms energy: -427.576436 where: bonds (distance) C4'-P energy: -92.944 bonds (distance) P-C4' energy: -91.660 flat angles C4'-P-C4' energy: -102.154 flat angles P-C4'-P energy: -57.779 tors. eta vs tors. theta energy: -83.039 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: 5, replica: 7 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1147.879967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.879967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.879967 (E_RNA) where: Base-Base interactions energy: -738.279 where: short stacking energy: -350.449 Base-Backbone interact. energy: -1.416 local terms energy: -408.184978 where: bonds (distance) C4'-P energy: -71.004 bonds (distance) P-C4' energy: -86.783 flat angles C4'-P-C4' energy: -99.090 flat angles P-C4'-P energy: -60.376 tors. eta vs tors. theta energy: -90.933 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: 6, replica: 2 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -943.026410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.026410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.026410 (E_RNA) where: Base-Base interactions energy: -586.988 where: short stacking energy: -294.906 Base-Backbone interact. energy: -2.343 local terms energy: -353.695407 where: bonds (distance) C4'-P energy: -81.194 bonds (distance) P-C4' energy: -86.131 flat angles C4'-P-C4' energy: -77.817 flat angles P-C4'-P energy: -39.165 tors. eta vs tors. theta energy: -69.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -945.297880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.297880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.297880 (E_RNA) where: Base-Base interactions energy: -584.310 where: short stacking energy: -257.729 Base-Backbone interact. energy: -1.240 local terms energy: -359.747120 where: bonds (distance) C4'-P energy: -72.765 bonds (distance) P-C4' energy: -90.191 flat angles C4'-P-C4' energy: -93.785 flat angles P-C4'-P energy: -41.765 tors. eta vs tors. theta energy: -61.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -747.042644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.042644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.042644 (E_RNA) where: Base-Base interactions energy: -433.630 where: short stacking energy: -211.313 Base-Backbone interact. energy: 0.004 local terms energy: -313.416290 where: bonds (distance) C4'-P energy: -65.076 bonds (distance) P-C4' energy: -88.957 flat angles C4'-P-C4' energy: -87.533 flat angles P-C4'-P energy: -50.615 tors. eta vs tors. theta energy: -21.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -598.252704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.252704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.252704 (E_RNA) where: Base-Base interactions energy: -342.533 where: short stacking energy: -174.918 Base-Backbone interact. energy: 0.205 local terms energy: -255.924826 where: bonds (distance) C4'-P energy: -67.703 bonds (distance) P-C4' energy: -79.106 flat angles C4'-P-C4' energy: -58.571 flat angles P-C4'-P energy: -40.263 tors. eta vs tors. theta energy: -10.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -371.421985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.421985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.421985 (E_RNA) where: Base-Base interactions energy: -95.916 where: short stacking energy: -84.496 Base-Backbone interact. energy: 1.464 local terms energy: -276.970492 where: bonds (distance) C4'-P energy: -77.432 bonds (distance) P-C4' energy: -88.933 flat angles C4'-P-C4' energy: -74.323 flat angles P-C4'-P energy: -53.984 tors. eta vs tors. theta energy: 17.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1556.342433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.342433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.342433 (E_RNA) where: Base-Base interactions energy: -1052.882 where: short stacking energy: -439.250 Base-Backbone interact. energy: -0.704 local terms energy: -502.756518 where: bonds (distance) C4'-P energy: -92.113 bonds (distance) P-C4' energy: -97.235 flat angles C4'-P-C4' energy: -104.036 flat angles P-C4'-P energy: -73.288 tors. eta vs tors. theta energy: -136.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1467.867061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.867061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.867061 (E_RNA) where: Base-Base interactions energy: -978.608 where: short stacking energy: -448.253 Base-Backbone interact. energy: -0.271 local terms energy: -488.988108 where: bonds (distance) C4'-P energy: -86.851 bonds (distance) P-C4' energy: -95.261 flat angles C4'-P-C4' energy: -102.030 flat angles P-C4'-P energy: -70.273 tors. eta vs tors. theta energy: -134.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1364.864434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.864434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.864434 (E_RNA) where: Base-Base interactions energy: -888.129 where: short stacking energy: -418.756 Base-Backbone interact. energy: -1.772 local terms energy: -474.963641 where: bonds (distance) C4'-P energy: -80.813 bonds (distance) P-C4' energy: -96.683 flat angles C4'-P-C4' energy: -108.998 flat angles P-C4'-P energy: -67.209 tors. eta vs tors. theta energy: -121.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1231.622829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.622829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.622829 (E_RNA) where: Base-Base interactions energy: -774.599 where: short stacking energy: -357.183 Base-Backbone interact. energy: -1.131 local terms energy: -455.893323 where: bonds (distance) C4'-P energy: -89.345 bonds (distance) P-C4' energy: -96.810 flat angles C4'-P-C4' energy: -104.801 flat angles P-C4'-P energy: -66.883 tors. eta vs tors. theta energy: -98.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1170.637087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.637087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.637087 (E_RNA) where: Base-Base interactions energy: -801.213 where: short stacking energy: -331.259 Base-Backbone interact. energy: -3.098 local terms energy: -366.325711 where: bonds (distance) C4'-P energy: -71.566 bonds (distance) P-C4' energy: -76.425 flat angles C4'-P-C4' energy: -96.131 flat angles P-C4'-P energy: -58.310 tors. eta vs tors. theta energy: -63.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -947.159396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.159396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.159396 (E_RNA) where: Base-Base interactions energy: -557.467 where: short stacking energy: -266.602 Base-Backbone interact. energy: -2.226 local terms energy: -387.466874 where: bonds (distance) C4'-P energy: -86.932 bonds (distance) P-C4' energy: -89.368 flat angles C4'-P-C4' energy: -87.782 flat angles P-C4'-P energy: -64.947 tors. eta vs tors. theta energy: -58.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -878.478047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.478047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.478047 (E_RNA) where: Base-Base interactions energy: -530.388 where: short stacking energy: -228.662 Base-Backbone interact. energy: -2.628 local terms energy: -345.462419 where: bonds (distance) C4'-P energy: -81.040 bonds (distance) P-C4' energy: -97.918 flat angles C4'-P-C4' energy: -88.227 flat angles P-C4'-P energy: -41.401 tors. eta vs tors. theta energy: -36.877 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: 5 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -775.543367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.543367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.543367 (E_RNA) where: Base-Base interactions energy: -466.768 where: short stacking energy: -228.609 Base-Backbone interact. energy: -1.239 local terms energy: -307.535769 where: bonds (distance) C4'-P energy: -85.999 bonds (distance) P-C4' energy: -62.677 flat angles C4'-P-C4' energy: -71.981 flat angles P-C4'-P energy: -45.889 tors. eta vs tors. theta energy: -40.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -591.379130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.379130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.379130 (E_RNA) where: Base-Base interactions energy: -294.610 where: short stacking energy: -140.740 Base-Backbone interact. energy: -3.399 local terms energy: -293.370119 where: bonds (distance) C4'-P energy: -78.104 bonds (distance) P-C4' energy: -82.865 flat angles C4'-P-C4' energy: -80.145 flat angles P-C4'-P energy: -48.468 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -388.874613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.874613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.874613 (E_RNA) where: Base-Base interactions energy: -153.281 where: short stacking energy: -139.334 Base-Backbone interact. energy: -1.616 local terms energy: -233.977659 where: bonds (distance) C4'-P energy: -68.863 bonds (distance) P-C4' energy: -88.859 flat angles C4'-P-C4' energy: -59.520 flat angles P-C4'-P energy: -22.434 tors. eta vs tors. theta energy: 5.698 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: 8 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1576.753092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.753092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.753092 (E_RNA) where: Base-Base interactions energy: -1071.520 where: short stacking energy: -456.156 Base-Backbone interact. energy: -3.096 local terms energy: -502.137281 where: bonds (distance) C4'-P energy: -87.252 bonds (distance) P-C4' energy: -90.797 flat angles C4'-P-C4' energy: -104.829 flat angles P-C4'-P energy: -78.849 tors. eta vs tors. theta energy: -140.409 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: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1443.946723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.946723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.946723 (E_RNA) where: Base-Base interactions energy: -957.158 where: short stacking energy: -427.637 Base-Backbone interact. energy: -2.376 local terms energy: -484.412374 where: bonds (distance) C4'-P energy: -88.099 bonds (distance) P-C4' energy: -85.256 flat angles C4'-P-C4' energy: -100.965 flat angles P-C4'-P energy: -72.798 tors. eta vs tors. theta energy: -137.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1333.598477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.598477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.598477 (E_RNA) where: Base-Base interactions energy: -867.891 where: short stacking energy: -415.073 Base-Backbone interact. energy: -0.571 local terms energy: -465.136205 where: bonds (distance) C4'-P energy: -86.559 bonds (distance) P-C4' energy: -92.961 flat angles C4'-P-C4' energy: -101.646 flat angles P-C4'-P energy: -66.698 tors. eta vs tors. theta energy: -117.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1180.260499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.260499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.260499 (E_RNA) where: Base-Base interactions energy: -751.166 where: short stacking energy: -354.816 Base-Backbone interact. energy: -3.297 local terms energy: -425.796775 where: bonds (distance) C4'-P energy: -76.283 bonds (distance) P-C4' energy: -100.840 flat angles C4'-P-C4' energy: -95.574 flat angles P-C4'-P energy: -57.939 tors. eta vs tors. theta energy: -95.160 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: 6 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1230.159323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.159323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.159323 (E_RNA) where: Base-Base interactions energy: -829.356 where: short stacking energy: -357.428 Base-Backbone interact. energy: -3.285 local terms energy: -397.518439 where: bonds (distance) C4'-P energy: -81.816 bonds (distance) P-C4' energy: -88.391 flat angles C4'-P-C4' energy: -87.612 flat angles P-C4'-P energy: -50.318 tors. eta vs tors. theta energy: -89.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -993.415958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.415958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.415958 (E_RNA) where: Base-Base interactions energy: -637.043 where: short stacking energy: -289.286 Base-Backbone interact. energy: 0.354 local terms energy: -356.726799 where: bonds (distance) C4'-P energy: -66.616 bonds (distance) P-C4' energy: -87.973 flat angles C4'-P-C4' energy: -88.551 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -63.846 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: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -768.938779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.938779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.938779 (E_RNA) where: Base-Base interactions energy: -441.744 where: short stacking energy: -233.212 Base-Backbone interact. energy: -1.389 local terms energy: -325.805903 where: bonds (distance) C4'-P energy: -80.547 bonds (distance) P-C4' energy: -71.441 flat angles C4'-P-C4' energy: -75.808 flat angles P-C4'-P energy: -55.720 tors. eta vs tors. theta energy: -42.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -794.838475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.838475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.838475 (E_RNA) where: Base-Base interactions energy: -466.898 where: short stacking energy: -236.369 Base-Backbone interact. energy: -2.709 local terms energy: -325.232001 where: bonds (distance) C4'-P energy: -79.061 bonds (distance) P-C4' energy: -83.716 flat angles C4'-P-C4' energy: -67.910 flat angles P-C4'-P energy: -51.018 tors. eta vs tors. theta energy: -43.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -664.249084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.249084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.249084 (E_RNA) where: Base-Base interactions energy: -386.074 where: short stacking energy: -186.374 Base-Backbone interact. energy: 6.104 local terms energy: -284.278691 where: bonds (distance) C4'-P energy: -69.851 bonds (distance) P-C4' energy: -79.937 flat angles C4'-P-C4' energy: -90.306 flat angles P-C4'-P energy: -42.162 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -371.883596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.883596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.883596 (E_RNA) where: Base-Base interactions energy: -112.910 where: short stacking energy: -89.406 Base-Backbone interact. energy: 5.722 local terms energy: -264.695219 where: bonds (distance) C4'-P energy: -84.524 bonds (distance) P-C4' energy: -79.215 flat angles C4'-P-C4' energy: -75.254 flat angles P-C4'-P energy: -38.486 tors. eta vs tors. theta energy: 12.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1550.702602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.702602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.702602 (E_RNA) where: Base-Base interactions energy: -1060.155 where: short stacking energy: -465.440 Base-Backbone interact. energy: -3.388 local terms energy: -487.159265 where: bonds (distance) C4'-P energy: -86.865 bonds (distance) P-C4' energy: -88.162 flat angles C4'-P-C4' energy: -110.015 flat angles P-C4'-P energy: -64.395 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: 2, replica: 10 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1452.967140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.967140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.967140 (E_RNA) where: Base-Base interactions energy: -964.484 where: short stacking energy: -457.068 Base-Backbone interact. energy: 7.161 local terms energy: -495.644462 where: bonds (distance) C4'-P energy: -85.794 bonds (distance) P-C4' energy: -87.363 flat angles C4'-P-C4' energy: -109.038 flat angles P-C4'-P energy: -72.119 tors. eta vs tors. theta energy: -141.330 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: 4 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1351.460717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.460717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.460717 (E_RNA) where: Base-Base interactions energy: -859.615 where: short stacking energy: -415.169 Base-Backbone interact. energy: 0.952 local terms energy: -492.797609 where: bonds (distance) C4'-P energy: -93.619 bonds (distance) P-C4' energy: -82.669 flat angles C4'-P-C4' energy: -111.440 flat angles P-C4'-P energy: -69.154 tors. eta vs tors. theta energy: -135.916 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: 473 Temperature: 1.050000 Total energy: -1246.159896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.159896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.159896 (E_RNA) where: Base-Base interactions energy: -799.613 where: short stacking energy: -366.022 Base-Backbone interact. energy: -3.637 local terms energy: -442.909200 where: bonds (distance) C4'-P energy: -101.675 bonds (distance) P-C4' energy: -87.611 flat angles C4'-P-C4' energy: -102.978 flat angles P-C4'-P energy: -62.618 tors. eta vs tors. theta energy: -88.028 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: 5, replica: 7 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1140.055836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.055836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.055836 (E_RNA) where: Base-Base interactions energy: -744.436 where: short stacking energy: -330.673 Base-Backbone interact. energy: -2.990 local terms energy: -392.630415 where: bonds (distance) C4'-P energy: -99.461 bonds (distance) P-C4' energy: -83.603 flat angles C4'-P-C4' energy: -79.445 flat angles P-C4'-P energy: -58.353 tors. eta vs tors. theta energy: -71.769 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: 2 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -929.759839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.759839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.759839 (E_RNA) where: Base-Base interactions energy: -545.934 where: short stacking energy: -256.795 Base-Backbone interact. energy: 1.272 local terms energy: -385.097700 where: bonds (distance) C4'-P energy: -90.590 bonds (distance) P-C4' energy: -97.546 flat angles C4'-P-C4' energy: -95.107 flat angles P-C4'-P energy: -47.110 tors. eta vs tors. theta energy: -54.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -811.794900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.794900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.794900 (E_RNA) where: Base-Base interactions energy: -445.636 where: short stacking energy: -226.726 Base-Backbone interact. energy: 3.728 local terms energy: -369.887178 where: bonds (distance) C4'-P energy: -90.522 bonds (distance) P-C4' energy: -103.165 flat angles C4'-P-C4' energy: -86.897 flat angles P-C4'-P energy: -53.703 tors. eta vs tors. theta energy: -35.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -715.516268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.516268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.516268 (E_RNA) where: Base-Base interactions energy: -408.273 where: short stacking energy: -210.125 Base-Backbone interact. energy: 0.825 local terms energy: -308.068589 where: bonds (distance) C4'-P energy: -68.500 bonds (distance) P-C4' energy: -83.891 flat angles C4'-P-C4' energy: -75.238 flat angles P-C4'-P energy: -47.637 tors. eta vs tors. theta energy: -32.803 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: 1 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -720.193178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.193178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.193178 (E_RNA) where: Base-Base interactions energy: -389.779 where: short stacking energy: -206.074 Base-Backbone interact. energy: -1.977 local terms energy: -328.437618 where: bonds (distance) C4'-P energy: -77.920 bonds (distance) P-C4' energy: -92.318 flat angles C4'-P-C4' energy: -77.206 flat angles P-C4'-P energy: -50.552 tors. eta vs tors. theta energy: -30.442 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: 473 Temperature: 1.350000 Total energy: -375.889144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.889144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.889144 (E_RNA) where: Base-Base interactions energy: -136.891 where: short stacking energy: -82.529 Base-Backbone interact. energy: -1.052 local terms energy: -237.946928 where: bonds (distance) C4'-P energy: -81.934 bonds (distance) P-C4' energy: -78.330 flat angles C4'-P-C4' energy: -57.995 flat angles P-C4'-P energy: -35.463 tors. eta vs tors. theta energy: 15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1541.352543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.352543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.352543 (E_RNA) where: Base-Base interactions energy: -1021.420 where: short stacking energy: -441.839 Base-Backbone interact. energy: 0.489 local terms energy: -520.421866 where: bonds (distance) C4'-P energy: -102.702 bonds (distance) P-C4' energy: -100.945 flat angles C4'-P-C4' energy: -109.818 flat angles P-C4'-P energy: -66.451 tors. eta vs tors. theta energy: -140.507 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: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1454.372792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.372792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.372792 (E_RNA) where: Base-Base interactions energy: -987.207 where: short stacking energy: -450.232 Base-Backbone interact. energy: -0.712 local terms energy: -466.453689 where: bonds (distance) C4'-P energy: -93.709 bonds (distance) P-C4' energy: -84.176 flat angles C4'-P-C4' energy: -103.146 flat angles P-C4'-P energy: -60.063 tors. eta vs tors. theta energy: -125.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1352.040402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.040402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.040402 (E_RNA) where: Base-Base interactions energy: -883.246 where: short stacking energy: -424.377 Base-Backbone interact. energy: -0.566 local terms energy: -468.228645 where: bonds (distance) C4'-P energy: -80.560 bonds (distance) P-C4' energy: -101.702 flat angles C4'-P-C4' energy: -101.322 flat angles P-C4'-P energy: -58.301 tors. eta vs tors. theta energy: -126.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1217.363841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.363841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.363841 (E_RNA) where: Base-Base interactions energy: -816.067 where: short stacking energy: -352.753 Base-Backbone interact. energy: -0.461 local terms energy: -400.836513 where: bonds (distance) C4'-P energy: -93.040 bonds (distance) P-C4' energy: -89.729 flat angles C4'-P-C4' energy: -93.516 flat angles P-C4'-P energy: -58.001 tors. eta vs tors. theta energy: -66.550 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: 7 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1120.459249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.459249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.459249 (E_RNA) where: Base-Base interactions energy: -714.172 where: short stacking energy: -327.087 Base-Backbone interact. energy: -0.884 local terms energy: -405.403771 where: bonds (distance) C4'-P energy: -86.676 bonds (distance) P-C4' energy: -83.373 flat angles C4'-P-C4' energy: -94.333 flat angles P-C4'-P energy: -59.846 tors. eta vs tors. theta energy: -81.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -939.192540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.192540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.192540 (E_RNA) where: Base-Base interactions energy: -585.538 where: short stacking energy: -257.897 Base-Backbone interact. energy: 0.425 local terms energy: -354.079870 where: bonds (distance) C4'-P energy: -85.821 bonds (distance) P-C4' energy: -79.522 flat angles C4'-P-C4' energy: -91.022 flat angles P-C4'-P energy: -39.087 tors. eta vs tors. theta energy: -58.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -739.001294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.001294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.001294 (E_RNA) where: Base-Base interactions energy: -401.080 where: short stacking energy: -220.881 Base-Backbone interact. energy: 2.733 local terms energy: -340.653834 where: bonds (distance) C4'-P energy: -91.404 bonds (distance) P-C4' energy: -85.425 flat angles C4'-P-C4' energy: -79.568 flat angles P-C4'-P energy: -43.158 tors. eta vs tors. theta energy: -41.099 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: 5 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -725.851158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.851158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.851158 (E_RNA) where: Base-Base interactions energy: -415.439 where: short stacking energy: -224.958 Base-Backbone interact. energy: 10.511 local terms energy: -320.923579 where: bonds (distance) C4'-P energy: -69.721 bonds (distance) P-C4' energy: -97.025 flat angles C4'-P-C4' energy: -78.614 flat angles P-C4'-P energy: -44.473 tors. eta vs tors. theta energy: -31.090 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: 9, replica: 1 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -738.368534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.368534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.368534 (E_RNA) where: Base-Base interactions energy: -433.161 where: short stacking energy: -216.445 Base-Backbone interact. energy: 1.421 local terms energy: -306.628046 where: bonds (distance) C4'-P energy: -79.636 bonds (distance) P-C4' energy: -62.071 flat angles C4'-P-C4' energy: -76.266 flat angles P-C4'-P energy: -54.795 tors. eta vs tors. theta energy: -33.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -374.043749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.043749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.043749 (E_RNA) where: Base-Base interactions energy: -98.966 where: short stacking energy: -85.326 Base-Backbone interact. energy: -1.586 local terms energy: -273.491607 where: bonds (distance) C4'-P energy: -95.135 bonds (distance) P-C4' energy: -82.804 flat angles C4'-P-C4' energy: -70.027 flat angles P-C4'-P energy: -46.971 tors. eta vs tors. theta energy: 21.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1571.030482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.030482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.030482 (E_RNA) where: Base-Base interactions energy: -1084.872 where: short stacking energy: -456.055 Base-Backbone interact. energy: -3.684 local terms energy: -482.474588 where: bonds (distance) C4'-P energy: -87.957 bonds (distance) P-C4' energy: -88.622 flat angles C4'-P-C4' energy: -106.952 flat angles P-C4'-P energy: -66.037 tors. eta vs tors. theta energy: -132.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1446.246567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.246567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.246567 (E_RNA) where: Base-Base interactions energy: -963.088 where: short stacking energy: -456.549 Base-Backbone interact. energy: -1.190 local terms energy: -481.968238 where: bonds (distance) C4'-P energy: -99.056 bonds (distance) P-C4' energy: -82.694 flat angles C4'-P-C4' energy: -101.340 flat angles P-C4'-P energy: -71.401 tors. eta vs tors. theta energy: -127.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1371.726250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.726250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.726250 (E_RNA) where: Base-Base interactions energy: -905.657 where: short stacking energy: -429.996 Base-Backbone interact. energy: -1.530 local terms energy: -464.538676 where: bonds (distance) C4'-P energy: -90.256 bonds (distance) P-C4' energy: -87.350 flat angles C4'-P-C4' energy: -103.335 flat angles P-C4'-P energy: -59.471 tors. eta vs tors. theta energy: -124.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1302.078222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.078222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.078222 (E_RNA) where: Base-Base interactions energy: -865.006 where: short stacking energy: -384.099 Base-Backbone interact. energy: -3.000 local terms energy: -434.072016 where: bonds (distance) C4'-P energy: -84.697 bonds (distance) P-C4' energy: -88.531 flat angles C4'-P-C4' energy: -104.431 flat angles P-C4'-P energy: -55.808 tors. eta vs tors. theta energy: -100.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1183.756583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.756583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.756583 (E_RNA) where: Base-Base interactions energy: -758.909 where: short stacking energy: -354.860 Base-Backbone interact. energy: -1.228 local terms energy: -423.619614 where: bonds (distance) C4'-P energy: -82.936 bonds (distance) P-C4' energy: -78.803 flat angles C4'-P-C4' energy: -99.958 flat angles P-C4'-P energy: -70.672 tors. eta vs tors. theta energy: -91.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -994.928021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.928021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.928021 (E_RNA) where: Base-Base interactions energy: -596.887 where: short stacking energy: -290.882 Base-Backbone interact. energy: -0.223 local terms energy: -397.817805 where: bonds (distance) C4'-P energy: -79.926 bonds (distance) P-C4' energy: -88.047 flat angles C4'-P-C4' energy: -106.128 flat angles P-C4'-P energy: -53.468 tors. eta vs tors. theta energy: -70.249 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: 3 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -717.877328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.877328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.877328 (E_RNA) where: Base-Base interactions energy: -396.241 where: short stacking energy: -222.175 Base-Backbone interact. energy: -2.042 local terms energy: -319.594027 where: bonds (distance) C4'-P energy: -88.825 bonds (distance) P-C4' energy: -74.028 flat angles C4'-P-C4' energy: -81.592 flat angles P-C4'-P energy: -55.271 tors. eta vs tors. theta energy: -19.877 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: 1 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -780.970076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.970076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.970076 (E_RNA) where: Base-Base interactions energy: -465.265 where: short stacking energy: -238.598 Base-Backbone interact. energy: 0.091 local terms energy: -315.796323 where: bonds (distance) C4'-P energy: -89.576 bonds (distance) P-C4' energy: -76.775 flat angles C4'-P-C4' energy: -67.758 flat angles P-C4'-P energy: -45.691 tors. eta vs tors. theta energy: -35.996 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: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -645.881640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.881640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.881640 (E_RNA) where: Base-Base interactions energy: -361.451 where: short stacking energy: -188.200 Base-Backbone interact. energy: -0.781 local terms energy: -283.649588 where: bonds (distance) C4'-P energy: -76.141 bonds (distance) P-C4' energy: -78.980 flat angles C4'-P-C4' energy: -73.636 flat angles P-C4'-P energy: -30.062 tors. eta vs tors. theta energy: -24.832 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: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -377.192659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.192659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.192659 (E_RNA) where: Base-Base interactions energy: -124.375 where: short stacking energy: -97.188 Base-Backbone interact. energy: -1.413 local terms energy: -251.404599 where: bonds (distance) C4'-P energy: -68.496 bonds (distance) P-C4' energy: -85.456 flat angles C4'-P-C4' energy: -69.882 flat angles P-C4'-P energy: -46.142 tors. eta vs tors. theta energy: 18.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1569.469164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.469164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.469164 (E_RNA) where: Base-Base interactions energy: -1065.292 where: short stacking energy: -468.865 Base-Backbone interact. energy: -2.215 local terms energy: -501.961679 where: bonds (distance) C4'-P energy: -97.609 bonds (distance) P-C4' energy: -91.333 flat angles C4'-P-C4' energy: -110.595 flat angles P-C4'-P energy: -64.149 tors. eta vs tors. theta energy: -138.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1421.625311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.625311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.625311 (E_RNA) where: Base-Base interactions energy: -946.230 where: short stacking energy: -427.094 Base-Backbone interact. energy: -1.123 local terms energy: -474.272283 where: bonds (distance) C4'-P energy: -95.127 bonds (distance) P-C4' energy: -85.047 flat angles C4'-P-C4' energy: -99.171 flat angles P-C4'-P energy: -69.650 tors. eta vs tors. theta energy: -125.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1365.234774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.234774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.234774 (E_RNA) where: Base-Base interactions energy: -879.396 where: short stacking energy: -420.678 Base-Backbone interact. energy: -1.243 local terms energy: -484.595071 where: bonds (distance) C4'-P energy: -88.782 bonds (distance) P-C4' energy: -90.432 flat angles C4'-P-C4' energy: -97.359 flat angles P-C4'-P energy: -80.283 tors. eta vs tors. theta energy: -127.740 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: 6 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1294.392877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.392877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.392877 (E_RNA) where: Base-Base interactions energy: -863.917 where: short stacking energy: -380.208 Base-Backbone interact. energy: -1.227 local terms energy: -429.248468 where: bonds (distance) C4'-P energy: -80.778 bonds (distance) P-C4' energy: -86.904 flat angles C4'-P-C4' energy: -101.641 flat angles P-C4'-P energy: -53.506 tors. eta vs tors. theta energy: -106.420 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: 5, replica: 7 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1133.595912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.595912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.595912 (E_RNA) where: Base-Base interactions energy: -721.335 where: short stacking energy: -342.677 Base-Backbone interact. energy: -1.050 local terms energy: -411.210755 where: bonds (distance) C4'-P energy: -77.958 bonds (distance) P-C4' energy: -83.654 flat angles C4'-P-C4' energy: -89.641 flat angles P-C4'-P energy: -72.997 tors. eta vs tors. theta energy: -86.961 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: 2 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -936.212646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.212646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.212646 (E_RNA) where: Base-Base interactions energy: -561.237 where: short stacking energy: -277.684 Base-Backbone interact. energy: 0.304 local terms energy: -375.279449 where: bonds (distance) C4'-P energy: -65.453 bonds (distance) P-C4' energy: -95.350 flat angles C4'-P-C4' energy: -94.089 flat angles P-C4'-P energy: -56.187 tors. eta vs tors. theta energy: -64.201 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: 1 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -799.266031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.266031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.266031 (E_RNA) where: Base-Base interactions energy: -505.375 where: short stacking energy: -240.449 Base-Backbone interact. energy: -1.198 local terms energy: -292.693162 where: bonds (distance) C4'-P energy: -71.615 bonds (distance) P-C4' energy: -86.657 flat angles C4'-P-C4' energy: -74.183 flat angles P-C4'-P energy: -25.221 tors. eta vs tors. theta energy: -35.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -634.923289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.923289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.923289 (E_RNA) where: Base-Base interactions energy: -338.853 where: short stacking energy: -180.625 Base-Backbone interact. energy: -0.170 local terms energy: -295.900566 where: bonds (distance) C4'-P energy: -67.879 bonds (distance) P-C4' energy: -92.437 flat angles C4'-P-C4' energy: -76.097 flat angles P-C4'-P energy: -41.209 tors. eta vs tors. theta energy: -18.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -636.558015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.558015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.558015 (E_RNA) where: Base-Base interactions energy: -339.395 where: short stacking energy: -185.653 Base-Backbone interact. energy: 3.800 local terms energy: -300.963180 where: bonds (distance) C4'-P energy: -80.340 bonds (distance) P-C4' energy: -88.982 flat angles C4'-P-C4' energy: -75.427 flat angles P-C4'-P energy: -42.411 tors. eta vs tors. theta energy: -13.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -417.507875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.507875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.507875 (E_RNA) where: Base-Base interactions energy: -145.318 where: short stacking energy: -122.757 Base-Backbone interact. energy: -1.683 local terms energy: -270.507647 where: bonds (distance) C4'-P energy: -66.916 bonds (distance) P-C4' energy: -86.864 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: 12.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1570.672192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.672192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.672192 (E_RNA) where: Base-Base interactions energy: -1038.546 where: short stacking energy: -455.053 Base-Backbone interact. energy: -2.699 local terms energy: -529.427107 where: bonds (distance) C4'-P energy: -98.383 bonds (distance) P-C4' energy: -95.622 flat angles C4'-P-C4' energy: -112.127 flat angles P-C4'-P energy: -74.494 tors. eta vs tors. theta energy: -148.801 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: 2, replica: 10 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1451.343825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.343825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.343825 (E_RNA) where: Base-Base interactions energy: -952.847 where: short stacking energy: -440.398 Base-Backbone interact. energy: 0.029 local terms energy: -498.526447 where: bonds (distance) C4'-P energy: -87.868 bonds (distance) P-C4' energy: -98.788 flat angles C4'-P-C4' energy: -106.408 flat angles P-C4'-P energy: -74.691 tors. eta vs tors. theta energy: -130.772 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: 3, replica: 4 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1335.736429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.736429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.736429 (E_RNA) where: Base-Base interactions energy: -860.030 where: short stacking energy: -410.222 Base-Backbone interact. energy: -1.028 local terms energy: -474.677874 where: bonds (distance) C4'-P energy: -88.538 bonds (distance) P-C4' energy: -98.339 flat angles C4'-P-C4' energy: -94.044 flat angles P-C4'-P energy: -69.497 tors. eta vs tors. theta energy: -124.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1275.675000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.675000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.675000 (E_RNA) where: Base-Base interactions energy: -853.440 where: short stacking energy: -369.270 Base-Backbone interact. energy: 0.571 local terms energy: -422.806254 where: bonds (distance) C4'-P energy: -87.157 bonds (distance) P-C4' energy: -81.958 flat angles C4'-P-C4' energy: -94.959 flat angles P-C4'-P energy: -55.077 tors. eta vs tors. theta energy: -103.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1124.010940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.010940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.010940 (E_RNA) where: Base-Base interactions energy: -742.732 where: short stacking energy: -361.993 Base-Backbone interact. energy: -1.712 local terms energy: -379.567141 where: bonds (distance) C4'-P energy: -81.787 bonds (distance) P-C4' energy: -79.938 flat angles C4'-P-C4' energy: -80.374 flat angles P-C4'-P energy: -58.515 tors. eta vs tors. theta energy: -78.953 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: 6, replica: 2 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -981.367521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.367521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.367521 (E_RNA) where: Base-Base interactions energy: -610.102 where: short stacking energy: -311.160 Base-Backbone interact. energy: -1.717 local terms energy: -369.549268 where: bonds (distance) C4'-P energy: -64.900 bonds (distance) P-C4' energy: -91.171 flat angles C4'-P-C4' energy: -85.840 flat angles P-C4'-P energy: -57.971 tors. eta vs tors. theta energy: -69.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -845.884250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.884250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.884250 (E_RNA) where: Base-Base interactions energy: -485.098 where: short stacking energy: -239.158 Base-Backbone interact. energy: -1.068 local terms energy: -359.718557 where: bonds (distance) C4'-P energy: -86.312 bonds (distance) P-C4' energy: -86.331 flat angles C4'-P-C4' energy: -84.186 flat angles P-C4'-P energy: -58.619 tors. eta vs tors. theta energy: -44.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -676.102004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.102004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.102004 (E_RNA) where: Base-Base interactions energy: -364.852 where: short stacking energy: -205.436 Base-Backbone interact. energy: 0.795 local terms energy: -312.044826 where: bonds (distance) C4'-P energy: -80.284 bonds (distance) P-C4' energy: -76.102 flat angles C4'-P-C4' energy: -80.016 flat angles P-C4'-P energy: -60.477 tors. eta vs tors. theta energy: -15.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -577.875928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.875928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.875928 (E_RNA) where: Base-Base interactions energy: -294.115 where: short stacking energy: -174.506 Base-Backbone interact. energy: -0.996 local terms energy: -282.764977 where: bonds (distance) C4'-P energy: -76.829 bonds (distance) P-C4' energy: -71.524 flat angles C4'-P-C4' energy: -68.644 flat angles P-C4'-P energy: -47.177 tors. eta vs tors. theta energy: -18.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -398.163960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.163960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.163960 (E_RNA) where: Base-Base interactions energy: -138.441 where: short stacking energy: -126.750 Base-Backbone interact. energy: 0.486 local terms energy: -260.209338 where: bonds (distance) C4'-P energy: -66.897 bonds (distance) P-C4' energy: -92.789 flat angles C4'-P-C4' energy: -65.157 flat angles P-C4'-P energy: -32.755 tors. eta vs tors. theta energy: -2.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1563.013055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.013055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.013055 (E_RNA) where: Base-Base interactions energy: -1039.205 where: short stacking energy: -469.290 Base-Backbone interact. energy: -1.621 local terms energy: -522.186895 where: bonds (distance) C4'-P energy: -102.486 bonds (distance) P-C4' energy: -90.725 flat angles C4'-P-C4' energy: -111.226 flat angles P-C4'-P energy: -77.015 tors. eta vs tors. theta energy: -140.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1433.000484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.000484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.000484 (E_RNA) where: Base-Base interactions energy: -945.354 where: short stacking energy: -438.487 Base-Backbone interact. energy: 0.043 local terms energy: -487.689924 where: bonds (distance) C4'-P energy: -103.251 bonds (distance) P-C4' energy: -92.995 flat angles C4'-P-C4' energy: -105.792 flat angles P-C4'-P energy: -57.657 tors. eta vs tors. theta energy: -127.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1332.818501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.818501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.818501 (E_RNA) where: Base-Base interactions energy: -870.374 where: short stacking energy: -406.913 Base-Backbone interact. energy: 0.270 local terms energy: -462.714805 where: bonds (distance) C4'-P energy: -88.886 bonds (distance) P-C4' energy: -91.747 flat angles C4'-P-C4' energy: -92.095 flat angles P-C4'-P energy: -65.790 tors. eta vs tors. theta energy: -124.196 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: 478 Temperature: 1.050000 Total energy: -1245.114272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.114272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.114272 (E_RNA) where: Base-Base interactions energy: -827.860 where: short stacking energy: -347.106 Base-Backbone interact. energy: -4.088 local terms energy: -413.166722 where: bonds (distance) C4'-P energy: -76.056 bonds (distance) P-C4' energy: -83.430 flat angles C4'-P-C4' energy: -102.378 flat angles P-C4'-P energy: -59.002 tors. eta vs tors. theta energy: -92.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1106.889065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.889065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.889065 (E_RNA) where: Base-Base interactions energy: -701.720 where: short stacking energy: -319.282 Base-Backbone interact. energy: -3.146 local terms energy: -402.023629 where: bonds (distance) C4'-P energy: -83.294 bonds (distance) P-C4' energy: -84.482 flat angles C4'-P-C4' energy: -90.485 flat angles P-C4'-P energy: -57.985 tors. eta vs tors. theta energy: -85.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -928.775170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.775170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.775170 (E_RNA) where: Base-Base interactions energy: -562.858 where: short stacking energy: -277.418 Base-Backbone interact. energy: 1.989 local terms energy: -367.906136 where: bonds (distance) C4'-P energy: -81.105 bonds (distance) P-C4' energy: -84.304 flat angles C4'-P-C4' energy: -88.709 flat angles P-C4'-P energy: -44.595 tors. eta vs tors. theta energy: -69.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -860.852429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.852429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.852429 (E_RNA) where: Base-Base interactions energy: -512.026 where: short stacking energy: -267.706 Base-Backbone interact. energy: -1.436 local terms energy: -347.390150 where: bonds (distance) C4'-P energy: -84.214 bonds (distance) P-C4' energy: -83.302 flat angles C4'-P-C4' energy: -78.514 flat angles P-C4'-P energy: -47.297 tors. eta vs tors. theta energy: -54.063 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: 5 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -660.327667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.327667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.327667 (E_RNA) where: Base-Base interactions energy: -382.092 where: short stacking energy: -202.245 Base-Backbone interact. energy: 7.840 local terms energy: -286.075339 where: bonds (distance) C4'-P energy: -76.479 bonds (distance) P-C4' energy: -81.866 flat angles C4'-P-C4' energy: -75.323 flat angles P-C4'-P energy: -47.679 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -583.464173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.464173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.464173 (E_RNA) where: Base-Base interactions energy: -298.117 where: short stacking energy: -165.090 Base-Backbone interact. energy: 0.459 local terms energy: -285.806627 where: bonds (distance) C4'-P energy: -101.617 bonds (distance) P-C4' energy: -84.208 flat angles C4'-P-C4' energy: -75.416 flat angles P-C4'-P energy: -30.600 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: 10, replica: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -407.522090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.522090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.522090 (E_RNA) where: Base-Base interactions energy: -176.421 where: short stacking energy: -146.847 Base-Backbone interact. energy: -2.460 local terms energy: -228.640879 where: bonds (distance) C4'-P energy: -59.543 bonds (distance) P-C4' energy: -85.816 flat angles C4'-P-C4' energy: -55.997 flat angles P-C4'-P energy: -34.033 tors. eta vs tors. theta energy: 6.748 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: 8 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1563.683666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.683666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.683666 (E_RNA) where: Base-Base interactions energy: -1068.310 where: short stacking energy: -458.768 Base-Backbone interact. energy: -4.396 local terms energy: -490.977443 where: bonds (distance) C4'-P energy: -83.589 bonds (distance) P-C4' energy: -105.762 flat angles C4'-P-C4' energy: -103.342 flat angles P-C4'-P energy: -65.478 tors. eta vs tors. theta energy: -132.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1450.914492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.914492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.914492 (E_RNA) where: Base-Base interactions energy: -959.271 where: short stacking energy: -440.900 Base-Backbone interact. energy: -3.377 local terms energy: -488.267185 where: bonds (distance) C4'-P energy: -83.299 bonds (distance) P-C4' energy: -94.755 flat angles C4'-P-C4' energy: -107.654 flat angles P-C4'-P energy: -75.066 tors. eta vs tors. theta energy: -127.494 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: 4 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1339.895617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.895617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.895617 (E_RNA) where: Base-Base interactions energy: -870.048 where: short stacking energy: -412.088 Base-Backbone interact. energy: -1.601 local terms energy: -468.246482 where: bonds (distance) C4'-P energy: -84.095 bonds (distance) P-C4' energy: -97.876 flat angles C4'-P-C4' energy: -100.426 flat angles P-C4'-P energy: -67.065 tors. eta vs tors. theta energy: -118.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1279.105614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.105614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.105614 (E_RNA) where: Base-Base interactions energy: -867.148 where: short stacking energy: -369.062 Base-Backbone interact. energy: -2.818 local terms energy: -409.139112 where: bonds (distance) C4'-P energy: -78.695 bonds (distance) P-C4' energy: -89.332 flat angles C4'-P-C4' energy: -80.267 flat angles P-C4'-P energy: -60.910 tors. eta vs tors. theta energy: -99.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1099.367451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.367451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.367451 (E_RNA) where: Base-Base interactions energy: -716.724 where: short stacking energy: -333.007 Base-Backbone interact. energy: 0.716 local terms energy: -383.359151 where: bonds (distance) C4'-P energy: -83.593 bonds (distance) P-C4' energy: -80.957 flat angles C4'-P-C4' energy: -79.021 flat angles P-C4'-P energy: -60.613 tors. eta vs tors. theta energy: -79.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -980.114666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.114666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.114666 (E_RNA) where: Base-Base interactions energy: -594.267 where: short stacking energy: -265.147 Base-Backbone interact. energy: -2.020 local terms energy: -383.826873 where: bonds (distance) C4'-P energy: -82.335 bonds (distance) P-C4' energy: -96.494 flat angles C4'-P-C4' energy: -77.356 flat angles P-C4'-P energy: -52.943 tors. eta vs tors. theta energy: -74.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -901.733726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.733726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.733726 (E_RNA) where: Base-Base interactions energy: -534.413 where: short stacking energy: -283.837 Base-Backbone interact. energy: 0.867 local terms energy: -368.187771 where: bonds (distance) C4'-P energy: -60.290 bonds (distance) P-C4' energy: -94.818 flat angles C4'-P-C4' energy: -92.996 flat angles P-C4'-P energy: -56.259 tors. eta vs tors. theta energy: -63.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -648.912695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.912695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.912695 (E_RNA) where: Base-Base interactions energy: -325.406 where: short stacking energy: -190.660 Base-Backbone interact. energy: 5.401 local terms energy: -328.908012 where: bonds (distance) C4'-P energy: -84.062 bonds (distance) P-C4' energy: -104.415 flat angles C4'-P-C4' energy: -75.678 flat angles P-C4'-P energy: -46.690 tors. eta vs tors. theta energy: -18.063 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: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -629.951881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.951881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.951881 (E_RNA) where: Base-Base interactions energy: -345.785 where: short stacking energy: -175.318 Base-Backbone interact. energy: -1.393 local terms energy: -282.774234 where: bonds (distance) C4'-P energy: -70.855 bonds (distance) P-C4' energy: -90.449 flat angles C4'-P-C4' energy: -51.513 flat angles P-C4'-P energy: -51.877 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: 10, replica: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -388.000383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.000383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.000383 (E_RNA) where: Base-Base interactions energy: -127.536 where: short stacking energy: -107.689 Base-Backbone interact. energy: 2.516 local terms energy: -262.980144 where: bonds (distance) C4'-P energy: -79.568 bonds (distance) P-C4' energy: -94.441 flat angles C4'-P-C4' energy: -70.790 flat angles P-C4'-P energy: -26.760 tors. eta vs tors. theta energy: 8.579 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: 8 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1566.215213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.215213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.215213 (E_RNA) where: Base-Base interactions energy: -1051.971 where: short stacking energy: -469.689 Base-Backbone interact. energy: -3.606 local terms energy: -510.638731 where: bonds (distance) C4'-P energy: -93.193 bonds (distance) P-C4' energy: -101.651 flat angles C4'-P-C4' energy: -104.484 flat angles P-C4'-P energy: -69.239 tors. eta vs tors. theta energy: -142.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1457.002431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.002431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.002431 (E_RNA) where: Base-Base interactions energy: -955.104 where: short stacking energy: -433.554 Base-Backbone interact. energy: -2.701 local terms energy: -499.196867 where: bonds (distance) C4'-P energy: -90.366 bonds (distance) P-C4' energy: -99.540 flat angles C4'-P-C4' energy: -106.307 flat angles P-C4'-P energy: -68.366 tors. eta vs tors. theta energy: -134.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1327.682457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.682457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.682457 (E_RNA) where: Base-Base interactions energy: -851.429 where: short stacking energy: -409.040 Base-Backbone interact. energy: 2.282 local terms energy: -478.535767 where: bonds (distance) C4'-P energy: -91.450 bonds (distance) P-C4' energy: -87.428 flat angles C4'-P-C4' energy: -103.165 flat angles P-C4'-P energy: -77.033 tors. eta vs tors. theta energy: -119.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1310.736139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.736139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.736139 (E_RNA) where: Base-Base interactions energy: -887.994 where: short stacking energy: -386.235 Base-Backbone interact. energy: -3.465 local terms energy: -419.277371 where: bonds (distance) C4'-P energy: -79.090 bonds (distance) P-C4' energy: -88.886 flat angles C4'-P-C4' energy: -100.338 flat angles P-C4'-P energy: -62.018 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: 5, replica: 7 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1067.920953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.920953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.920953 (E_RNA) where: Base-Base interactions energy: -677.297 where: short stacking energy: -312.461 Base-Backbone interact. energy: -1.847 local terms energy: -388.777436 where: bonds (distance) C4'-P energy: -98.830 bonds (distance) P-C4' energy: -86.409 flat angles C4'-P-C4' energy: -79.089 flat angles P-C4'-P energy: -49.737 tors. eta vs tors. theta energy: -74.712 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: 2 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1011.045084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.045084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.045084 (E_RNA) where: Base-Base interactions energy: -624.603 where: short stacking energy: -301.215 Base-Backbone interact. energy: -1.416 local terms energy: -385.026399 where: bonds (distance) C4'-P energy: -83.984 bonds (distance) P-C4' energy: -91.571 flat angles C4'-P-C4' energy: -98.994 flat angles P-C4'-P energy: -49.406 tors. eta vs tors. theta energy: -61.070 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: 1 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -884.647479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.647479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.647479 (E_RNA) where: Base-Base interactions energy: -526.328 where: short stacking energy: -274.229 Base-Backbone interact. energy: 5.299 local terms energy: -363.618864 where: bonds (distance) C4'-P energy: -75.344 bonds (distance) P-C4' energy: -89.604 flat angles C4'-P-C4' energy: -79.393 flat angles P-C4'-P energy: -48.048 tors. eta vs tors. theta energy: -71.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -663.616423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.616423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.616423 (E_RNA) where: Base-Base interactions energy: -364.359 where: short stacking energy: -196.112 Base-Backbone interact. energy: -1.124 local terms energy: -298.133630 where: bonds (distance) C4'-P energy: -78.071 bonds (distance) P-C4' energy: -80.150 flat angles C4'-P-C4' energy: -79.074 flat angles P-C4'-P energy: -36.363 tors. eta vs tors. theta energy: -24.476 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: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -629.557139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.557139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.557139 (E_RNA) where: Base-Base interactions energy: -352.648 where: short stacking energy: -182.900 Base-Backbone interact. energy: -2.390 local terms energy: -274.518786 where: bonds (distance) C4'-P energy: -60.301 bonds (distance) P-C4' energy: -97.527 flat angles C4'-P-C4' energy: -67.335 flat angles P-C4'-P energy: -21.837 tors. eta vs tors. theta energy: -27.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -380.760276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.760276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.760276 (E_RNA) where: Base-Base interactions energy: -143.799 where: short stacking energy: -112.347 Base-Backbone interact. energy: 0.443 local terms energy: -237.404266 where: bonds (distance) C4'-P energy: -79.023 bonds (distance) P-C4' energy: -67.786 flat angles C4'-P-C4' energy: -74.459 flat angles P-C4'-P energy: -30.082 tors. eta vs tors. theta energy: 13.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1569.043899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.043899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.043899 (E_RNA) where: Base-Base interactions energy: -1064.453 where: short stacking energy: -474.131 Base-Backbone interact. energy: -1.118 local terms energy: -503.472961 where: bonds (distance) C4'-P energy: -79.097 bonds (distance) P-C4' energy: -103.484 flat angles C4'-P-C4' energy: -104.310 flat angles P-C4'-P energy: -73.808 tors. eta vs tors. theta energy: -142.773 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: 2, replica: 10 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1459.376252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.376252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.376252 (E_RNA) where: Base-Base interactions energy: -966.212 where: short stacking energy: -428.574 Base-Backbone interact. energy: -0.037 local terms energy: -493.126581 where: bonds (distance) C4'-P energy: -96.799 bonds (distance) P-C4' energy: -89.885 flat angles C4'-P-C4' energy: -102.141 flat angles P-C4'-P energy: -67.529 tors. eta vs tors. theta energy: -136.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1338.070443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.070443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.070443 (E_RNA) where: Base-Base interactions energy: -895.412 where: short stacking energy: -413.723 Base-Backbone interact. energy: -3.099 local terms energy: -439.560081 where: bonds (distance) C4'-P energy: -77.326 bonds (distance) P-C4' energy: -92.243 flat angles C4'-P-C4' energy: -85.939 flat angles P-C4'-P energy: -65.064 tors. eta vs tors. theta energy: -118.987 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: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1279.108194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.108194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.108194 (E_RNA) where: Base-Base interactions energy: -845.084 where: short stacking energy: -365.085 Base-Backbone interact. energy: -0.928 local terms energy: -433.096141 where: bonds (distance) C4'-P energy: -71.980 bonds (distance) P-C4' energy: -93.790 flat angles C4'-P-C4' energy: -98.115 flat angles P-C4'-P energy: -63.302 tors. eta vs tors. theta energy: -105.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1127.163570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.163570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.163570 (E_RNA) where: Base-Base interactions energy: -722.303 where: short stacking energy: -342.184 Base-Backbone interact. energy: -2.891 local terms energy: -401.969881 where: bonds (distance) C4'-P energy: -81.894 bonds (distance) P-C4' energy: -81.845 flat angles C4'-P-C4' energy: -100.394 flat angles P-C4'-P energy: -50.832 tors. eta vs tors. theta energy: -87.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -990.933257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.933257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.933257 (E_RNA) where: Base-Base interactions energy: -604.687 where: short stacking energy: -295.967 Base-Backbone interact. energy: 2.262 local terms energy: -388.507612 where: bonds (distance) C4'-P energy: -88.100 bonds (distance) P-C4' energy: -91.823 flat angles C4'-P-C4' energy: -89.199 flat angles P-C4'-P energy: -45.234 tors. eta vs tors. theta energy: -74.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -854.387514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.387514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.387514 (E_RNA) where: Base-Base interactions energy: -473.115 where: short stacking energy: -252.883 Base-Backbone interact. energy: -1.363 local terms energy: -379.909942 where: bonds (distance) C4'-P energy: -93.700 bonds (distance) P-C4' energy: -90.310 flat angles C4'-P-C4' energy: -87.863 flat angles P-C4'-P energy: -52.138 tors. eta vs tors. theta energy: -55.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -690.027488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.027488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.027488 (E_RNA) where: Base-Base interactions energy: -395.021 where: short stacking energy: -208.413 Base-Backbone interact. energy: -0.793 local terms energy: -294.213914 where: bonds (distance) C4'-P energy: -76.746 bonds (distance) P-C4' energy: -79.154 flat angles C4'-P-C4' energy: -70.291 flat angles P-C4'-P energy: -46.445 tors. eta vs tors. theta energy: -21.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -618.002730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.002730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.002730 (E_RNA) where: Base-Base interactions energy: -325.663 where: short stacking energy: -162.479 Base-Backbone interact. energy: -0.897 local terms energy: -291.443146 where: bonds (distance) C4'-P energy: -60.545 bonds (distance) P-C4' energy: -100.676 flat angles C4'-P-C4' energy: -73.794 flat angles P-C4'-P energy: -48.068 tors. eta vs tors. theta energy: -8.359 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: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -371.708265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.708265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.708265 (E_RNA) where: Base-Base interactions energy: -122.349 where: short stacking energy: -107.348 Base-Backbone interact. energy: -0.352 local terms energy: -249.007779 where: bonds (distance) C4'-P energy: -79.272 bonds (distance) P-C4' energy: -72.397 flat angles C4'-P-C4' energy: -76.307 flat angles P-C4'-P energy: -35.228 tors. eta vs tors. theta energy: 14.197 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: 8 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1562.992843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.992843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.992843 (E_RNA) where: Base-Base interactions energy: -1044.967 where: short stacking energy: -471.689 Base-Backbone interact. energy: -2.143 local terms energy: -515.882310 where: bonds (distance) C4'-P energy: -99.268 bonds (distance) P-C4' energy: -91.955 flat angles C4'-P-C4' energy: -112.095 flat angles P-C4'-P energy: -62.836 tors. eta vs tors. theta energy: -149.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1470.109361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.109361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.109361 (E_RNA) where: Base-Base interactions energy: -969.936 where: short stacking energy: -429.676 Base-Backbone interact. energy: -3.701 local terms energy: -496.472145 where: bonds (distance) C4'-P energy: -90.985 bonds (distance) P-C4' energy: -103.448 flat angles C4'-P-C4' energy: -110.038 flat angles P-C4'-P energy: -64.003 tors. eta vs tors. theta energy: -127.998 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: 3, replica: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1344.776773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.776773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.776773 (E_RNA) where: Base-Base interactions energy: -868.035 where: short stacking energy: -411.706 Base-Backbone interact. energy: -2.193 local terms energy: -474.548705 where: bonds (distance) C4'-P energy: -80.217 bonds (distance) P-C4' energy: -91.817 flat angles C4'-P-C4' energy: -115.186 flat angles P-C4'-P energy: -68.203 tors. eta vs tors. theta energy: -119.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1263.842525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.842525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.842525 (E_RNA) where: Base-Base interactions energy: -830.416 where: short stacking energy: -371.003 Base-Backbone interact. energy: -2.173 local terms energy: -431.254261 where: bonds (distance) C4'-P energy: -101.612 bonds (distance) P-C4' energy: -100.908 flat angles C4'-P-C4' energy: -91.035 flat angles P-C4'-P energy: -49.715 tors. eta vs tors. theta energy: -87.984 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: 7 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1136.333479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.333479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.333479 (E_RNA) where: Base-Base interactions energy: -746.640 where: short stacking energy: -332.345 Base-Backbone interact. energy: 1.154 local terms energy: -390.847011 where: bonds (distance) C4'-P energy: -75.590 bonds (distance) P-C4' energy: -90.325 flat angles C4'-P-C4' energy: -88.670 flat angles P-C4'-P energy: -54.573 tors. eta vs tors. theta energy: -81.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -995.319702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.319702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.319702 (E_RNA) where: Base-Base interactions energy: -603.260 where: short stacking energy: -304.217 Base-Backbone interact. energy: -2.330 local terms energy: -389.729747 where: bonds (distance) C4'-P energy: -79.758 bonds (distance) P-C4' energy: -95.784 flat angles C4'-P-C4' energy: -86.147 flat angles P-C4'-P energy: -59.712 tors. eta vs tors. theta energy: -68.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -870.670197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.670197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.670197 (E_RNA) where: Base-Base interactions energy: -544.263 where: short stacking energy: -276.520 Base-Backbone interact. energy: 3.274 local terms energy: -329.681479 where: bonds (distance) C4'-P energy: -81.430 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -79.606 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -39.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -706.822340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.822340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.822340 (E_RNA) where: Base-Base interactions energy: -392.155 where: short stacking energy: -183.234 Base-Backbone interact. energy: 0.934 local terms energy: -315.601279 where: bonds (distance) C4'-P energy: -82.749 bonds (distance) P-C4' energy: -87.241 flat angles C4'-P-C4' energy: -80.123 flat angles P-C4'-P energy: -39.517 tors. eta vs tors. theta energy: -25.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -647.522834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.522834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.522834 (E_RNA) where: Base-Base interactions energy: -326.885 where: short stacking energy: -187.098 Base-Backbone interact. energy: -1.746 local terms energy: -318.892726 where: bonds (distance) C4'-P energy: -77.719 bonds (distance) P-C4' energy: -85.516 flat angles C4'-P-C4' energy: -84.941 flat angles P-C4'-P energy: -45.784 tors. eta vs tors. theta energy: -24.933 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: 482 Temperature: 1.350000 Total energy: -373.733408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.733408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.733408 (E_RNA) where: Base-Base interactions energy: -127.127 where: short stacking energy: -103.791 Base-Backbone interact. energy: 0.351 local terms energy: -246.957885 where: bonds (distance) C4'-P energy: -74.822 bonds (distance) P-C4' energy: -69.282 flat angles C4'-P-C4' energy: -70.569 flat angles P-C4'-P energy: -47.386 tors. eta vs tors. theta energy: 15.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1561.435477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.435477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.435477 (E_RNA) where: Base-Base interactions energy: -1049.531 where: short stacking energy: -468.791 Base-Backbone interact. energy: -0.826 local terms energy: -511.078856 where: bonds (distance) C4'-P energy: -91.322 bonds (distance) P-C4' energy: -96.275 flat angles C4'-P-C4' energy: -107.619 flat angles P-C4'-P energy: -71.499 tors. eta vs tors. theta energy: -144.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1467.702531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.702531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.702531 (E_RNA) where: Base-Base interactions energy: -997.867 where: short stacking energy: -467.564 Base-Backbone interact. energy: -2.012 local terms energy: -467.822907 where: bonds (distance) C4'-P energy: -84.316 bonds (distance) P-C4' energy: -93.991 flat angles C4'-P-C4' energy: -100.576 flat angles P-C4'-P energy: -49.692 tors. eta vs tors. theta energy: -139.248 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: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1325.327589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.327589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.327589 (E_RNA) where: Base-Base interactions energy: -878.183 where: short stacking energy: -400.748 Base-Backbone interact. energy: -0.739 local terms energy: -446.405546 where: bonds (distance) C4'-P energy: -76.797 bonds (distance) P-C4' energy: -92.970 flat angles C4'-P-C4' energy: -97.432 flat angles P-C4'-P energy: -62.285 tors. eta vs tors. theta energy: -116.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1244.567143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.567143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.567143 (E_RNA) where: Base-Base interactions energy: -822.958 where: short stacking energy: -380.761 Base-Backbone interact. energy: -0.490 local terms energy: -421.118715 where: bonds (distance) C4'-P energy: -81.209 bonds (distance) P-C4' energy: -81.775 flat angles C4'-P-C4' energy: -100.798 flat angles P-C4'-P energy: -66.550 tors. eta vs tors. theta energy: -90.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1140.224753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.224753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.224753 (E_RNA) where: Base-Base interactions energy: -726.635 where: short stacking energy: -337.477 Base-Backbone interact. energy: -1.157 local terms energy: -412.432979 where: bonds (distance) C4'-P energy: -80.067 bonds (distance) P-C4' energy: -93.200 flat angles C4'-P-C4' energy: -102.096 flat angles P-C4'-P energy: -49.050 tors. eta vs tors. theta energy: -88.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -948.234941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.234941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.234941 (E_RNA) where: Base-Base interactions energy: -571.569 where: short stacking energy: -268.509 Base-Backbone interact. energy: -2.176 local terms energy: -374.489312 where: bonds (distance) C4'-P energy: -87.060 bonds (distance) P-C4' energy: -81.578 flat angles C4'-P-C4' energy: -82.817 flat angles P-C4'-P energy: -56.533 tors. eta vs tors. theta energy: -66.502 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: 1 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -850.710917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.710917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.710917 (E_RNA) where: Base-Base interactions energy: -487.645 where: short stacking energy: -251.140 Base-Backbone interact. energy: 0.317 local terms energy: -363.382479 where: bonds (distance) C4'-P energy: -77.594 bonds (distance) P-C4' energy: -84.601 flat angles C4'-P-C4' energy: -89.611 flat angles P-C4'-P energy: -66.032 tors. eta vs tors. theta energy: -45.544 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: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -686.077666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.077666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.077666 (E_RNA) where: Base-Base interactions energy: -357.084 where: short stacking energy: -192.229 Base-Backbone interact. energy: -2.261 local terms energy: -326.732878 where: bonds (distance) C4'-P energy: -71.663 bonds (distance) P-C4' energy: -89.655 flat angles C4'-P-C4' energy: -72.863 flat angles P-C4'-P energy: -54.606 tors. eta vs tors. theta energy: -37.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -615.466712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.466712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.466712 (E_RNA) where: Base-Base interactions energy: -330.910 where: short stacking energy: -159.654 Base-Backbone interact. energy: -0.303 local terms energy: -284.254392 where: bonds (distance) C4'-P energy: -76.139 bonds (distance) P-C4' energy: -81.053 flat angles C4'-P-C4' energy: -68.424 flat angles P-C4'-P energy: -49.619 tors. eta vs tors. theta energy: -9.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -403.058680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.058680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.058680 (E_RNA) where: Base-Base interactions energy: -161.622 where: short stacking energy: -132.783 Base-Backbone interact. energy: -2.257 local terms energy: -239.179185 where: bonds (distance) C4'-P energy: -62.657 bonds (distance) P-C4' energy: -71.445 flat angles C4'-P-C4' energy: -71.311 flat angles P-C4'-P energy: -30.923 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1537.758560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.758560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.758560 (E_RNA) where: Base-Base interactions energy: -1031.410 where: short stacking energy: -453.532 Base-Backbone interact. energy: -2.079 local terms energy: -504.270118 where: bonds (distance) C4'-P energy: -97.583 bonds (distance) P-C4' energy: -109.167 flat angles C4'-P-C4' energy: -104.398 flat angles P-C4'-P energy: -60.450 tors. eta vs tors. theta energy: -132.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1449.841973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.841973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.841973 (E_RNA) where: Base-Base interactions energy: -985.473 where: short stacking energy: -444.247 Base-Backbone interact. energy: -1.430 local terms energy: -462.938782 where: bonds (distance) C4'-P energy: -82.881 bonds (distance) P-C4' energy: -99.686 flat angles C4'-P-C4' energy: -101.773 flat angles P-C4'-P energy: -53.366 tors. eta vs tors. theta energy: -125.232 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: 4 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1322.468961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.468961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.468961 (E_RNA) where: Base-Base interactions energy: -853.679 where: short stacking energy: -387.039 Base-Backbone interact. energy: -2.771 local terms energy: -466.019316 where: bonds (distance) C4'-P energy: -81.173 bonds (distance) P-C4' energy: -99.937 flat angles C4'-P-C4' energy: -104.833 flat angles P-C4'-P energy: -67.366 tors. eta vs tors. theta energy: -112.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1270.890383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.890383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.890383 (E_RNA) where: Base-Base interactions energy: -850.364 where: short stacking energy: -368.922 Base-Backbone interact. energy: -3.845 local terms energy: -416.681198 where: bonds (distance) C4'-P energy: -85.039 bonds (distance) P-C4' energy: -84.511 flat angles C4'-P-C4' energy: -87.920 flat angles P-C4'-P energy: -58.396 tors. eta vs tors. theta energy: -100.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1157.030133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.030133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.030133 (E_RNA) where: Base-Base interactions energy: -745.081 where: short stacking energy: -332.562 Base-Backbone interact. energy: 1.726 local terms energy: -413.674934 where: bonds (distance) C4'-P energy: -92.897 bonds (distance) P-C4' energy: -92.352 flat angles C4'-P-C4' energy: -93.957 flat angles P-C4'-P energy: -46.879 tors. eta vs tors. theta energy: -87.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -971.324324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.324324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.324324 (E_RNA) where: Base-Base interactions energy: -596.324 where: short stacking energy: -271.172 Base-Backbone interact. energy: 1.587 local terms energy: -376.586710 where: bonds (distance) C4'-P energy: -75.994 bonds (distance) P-C4' energy: -94.532 flat angles C4'-P-C4' energy: -86.755 flat angles P-C4'-P energy: -54.005 tors. eta vs tors. theta energy: -65.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -854.591533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.591533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.591533 (E_RNA) where: Base-Base interactions energy: -500.773 where: short stacking energy: -252.933 Base-Backbone interact. energy: -0.377 local terms energy: -353.442149 where: bonds (distance) C4'-P energy: -84.381 bonds (distance) P-C4' energy: -90.570 flat angles C4'-P-C4' energy: -92.670 flat angles P-C4'-P energy: -38.901 tors. eta vs tors. theta energy: -46.920 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: 8, replica: 3 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -676.755043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.755043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.755043 (E_RNA) where: Base-Base interactions energy: -394.094 where: short stacking energy: -214.004 Base-Backbone interact. energy: -1.226 local terms energy: -281.435582 where: bonds (distance) C4'-P energy: -76.875 bonds (distance) P-C4' energy: -77.540 flat angles C4'-P-C4' energy: -76.261 flat angles P-C4'-P energy: -37.041 tors. eta vs tors. theta energy: -13.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -636.691861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.691861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.691861 (E_RNA) where: Base-Base interactions energy: -328.409 where: short stacking energy: -165.212 Base-Backbone interact. energy: 6.844 local terms energy: -315.126995 where: bonds (distance) C4'-P energy: -79.949 bonds (distance) P-C4' energy: -98.933 flat angles C4'-P-C4' energy: -73.491 flat angles P-C4'-P energy: -50.520 tors. eta vs tors. theta energy: -12.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -414.510609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.510609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.510609 (E_RNA) where: Base-Base interactions energy: -168.426 where: short stacking energy: -114.766 Base-Backbone interact. energy: 0.796 local terms energy: -246.880763 where: bonds (distance) C4'-P energy: -61.734 bonds (distance) P-C4' energy: -73.686 flat angles C4'-P-C4' energy: -84.167 flat angles P-C4'-P energy: -45.054 tors. eta vs tors. theta energy: 17.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1565.438917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.438917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.438917 (E_RNA) where: Base-Base interactions energy: -1046.954 where: short stacking energy: -445.364 Base-Backbone interact. energy: -4.323 local terms energy: -514.162081 where: bonds (distance) C4'-P energy: -96.352 bonds (distance) P-C4' energy: -109.385 flat angles C4'-P-C4' energy: -109.526 flat angles P-C4'-P energy: -57.931 tors. eta vs tors. theta energy: -140.969 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: 10 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1521.671217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.671217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.671217 (E_RNA) where: Base-Base interactions energy: -1022.621 where: short stacking energy: -465.476 Base-Backbone interact. energy: -0.103 local terms energy: -498.947452 where: bonds (distance) C4'-P energy: -90.401 bonds (distance) P-C4' energy: -79.646 flat angles C4'-P-C4' energy: -112.304 flat angles P-C4'-P energy: -75.806 tors. eta vs tors. theta energy: -140.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1354.534232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.534232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.534232 (E_RNA) where: Base-Base interactions energy: -881.040 where: short stacking energy: -431.314 Base-Backbone interact. energy: -2.453 local terms energy: -471.041695 where: bonds (distance) C4'-P energy: -92.833 bonds (distance) P-C4' energy: -88.999 flat angles C4'-P-C4' energy: -102.009 flat angles P-C4'-P energy: -58.177 tors. eta vs tors. theta energy: -129.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1246.945036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.945036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.945036 (E_RNA) where: Base-Base interactions energy: -815.692 where: short stacking energy: -357.896 Base-Backbone interact. energy: -0.846 local terms energy: -430.407179 where: bonds (distance) C4'-P energy: -81.725 bonds (distance) P-C4' energy: -84.174 flat angles C4'-P-C4' energy: -104.797 flat angles P-C4'-P energy: -76.341 tors. eta vs tors. theta energy: -83.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1150.217983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.217983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.217983 (E_RNA) where: Base-Base interactions energy: -720.405 where: short stacking energy: -357.449 Base-Backbone interact. energy: -1.565 local terms energy: -428.247978 where: bonds (distance) C4'-P energy: -92.330 bonds (distance) P-C4' energy: -92.328 flat angles C4'-P-C4' energy: -85.422 flat angles P-C4'-P energy: -56.935 tors. eta vs tors. theta energy: -101.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -991.537426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.537426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.537426 (E_RNA) where: Base-Base interactions energy: -581.034 where: short stacking energy: -275.575 Base-Backbone interact. energy: -1.609 local terms energy: -408.895138 where: bonds (distance) C4'-P energy: -85.908 bonds (distance) P-C4' energy: -93.579 flat angles C4'-P-C4' energy: -98.019 flat angles P-C4'-P energy: -55.918 tors. eta vs tors. theta energy: -75.471 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: 1 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -854.383510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.383510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.383510 (E_RNA) where: Base-Base interactions energy: -526.381 where: short stacking energy: -265.137 Base-Backbone interact. energy: -1.649 local terms energy: -326.353153 where: bonds (distance) C4'-P energy: -59.594 bonds (distance) P-C4' energy: -77.712 flat angles C4'-P-C4' energy: -82.801 flat angles P-C4'-P energy: -57.880 tors. eta vs tors. theta energy: -48.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -666.305508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.305508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.305508 (E_RNA) where: Base-Base interactions energy: -347.895 where: short stacking energy: -185.087 Base-Backbone interact. energy: 1.282 local terms energy: -319.692166 where: bonds (distance) C4'-P energy: -86.957 bonds (distance) P-C4' energy: -86.844 flat angles C4'-P-C4' energy: -68.128 flat angles P-C4'-P energy: -55.429 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: 9, replica: 3 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -637.380346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.380346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.380346 (E_RNA) where: Base-Base interactions energy: -381.857 where: short stacking energy: -179.023 Base-Backbone interact. energy: -0.456 local terms energy: -255.067777 where: bonds (distance) C4'-P energy: -76.821 bonds (distance) P-C4' energy: -77.140 flat angles C4'-P-C4' energy: -55.629 flat angles P-C4'-P energy: -35.393 tors. eta vs tors. theta energy: -10.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -358.712335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.712335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.712335 (E_RNA) where: Base-Base interactions energy: -149.724 where: short stacking energy: -121.004 Base-Backbone interact. energy: -2.320 local terms energy: -206.668657 where: bonds (distance) C4'-P energy: -70.485 bonds (distance) P-C4' energy: -81.537 flat angles C4'-P-C4' energy: -52.262 flat angles P-C4'-P energy: -33.783 tors. eta vs tors. theta energy: 31.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1541.904871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.904871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.904871 (E_RNA) where: Base-Base interactions energy: -1051.344 where: short stacking energy: -461.950 Base-Backbone interact. energy: -4.428 local terms energy: -486.132741 where: bonds (distance) C4'-P energy: -100.141 bonds (distance) P-C4' energy: -85.004 flat angles C4'-P-C4' energy: -98.750 flat angles P-C4'-P energy: -67.390 tors. eta vs tors. theta energy: -134.849 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: 10 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1508.712042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.712042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.712042 (E_RNA) where: Base-Base interactions energy: -995.389 where: short stacking energy: -462.756 Base-Backbone interact. energy: -1.252 local terms energy: -512.071144 where: bonds (distance) C4'-P energy: -92.768 bonds (distance) P-C4' energy: -90.033 flat angles C4'-P-C4' energy: -99.321 flat angles P-C4'-P energy: -82.285 tors. eta vs tors. theta energy: -147.664 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: 3, replica: 4 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1337.155636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.155636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.155636 (E_RNA) where: Base-Base interactions energy: -859.453 where: short stacking energy: -403.800 Base-Backbone interact. energy: -0.205 local terms energy: -477.497458 where: bonds (distance) C4'-P energy: -95.529 bonds (distance) P-C4' energy: -89.959 flat angles C4'-P-C4' energy: -115.057 flat angles P-C4'-P energy: -67.252 tors. eta vs tors. theta energy: -109.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1262.494695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.494695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.494695 (E_RNA) where: Base-Base interactions energy: -830.445 where: short stacking energy: -337.266 Base-Backbone interact. energy: -3.616 local terms energy: -428.434071 where: bonds (distance) C4'-P energy: -82.930 bonds (distance) P-C4' energy: -96.325 flat angles C4'-P-C4' energy: -94.205 flat angles P-C4'-P energy: -64.972 tors. eta vs tors. theta energy: -90.001 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: 5, replica: 7 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1142.644111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.644111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.644111 (E_RNA) where: Base-Base interactions energy: -737.206 where: short stacking energy: -349.297 Base-Backbone interact. energy: 1.326 local terms energy: -406.763513 where: bonds (distance) C4'-P energy: -77.058 bonds (distance) P-C4' energy: -78.989 flat angles C4'-P-C4' energy: -92.413 flat angles P-C4'-P energy: -56.846 tors. eta vs tors. theta energy: -101.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -967.153342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.153342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.153342 (E_RNA) where: Base-Base interactions energy: -553.672 where: short stacking energy: -279.537 Base-Backbone interact. energy: -2.369 local terms energy: -411.112482 where: bonds (distance) C4'-P energy: -96.541 bonds (distance) P-C4' energy: -92.304 flat angles C4'-P-C4' energy: -88.502 flat angles P-C4'-P energy: -59.646 tors. eta vs tors. theta energy: -74.120 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: 7, replica: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -892.078313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.078313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.078313 (E_RNA) where: Base-Base interactions energy: -531.392 where: short stacking energy: -281.151 Base-Backbone interact. energy: -1.979 local terms energy: -358.706861 where: bonds (distance) C4'-P energy: -77.170 bonds (distance) P-C4' energy: -89.619 flat angles C4'-P-C4' energy: -89.727 flat angles P-C4'-P energy: -49.099 tors. eta vs tors. theta energy: -53.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -711.658165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.658165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.658165 (E_RNA) where: Base-Base interactions energy: -365.638 where: short stacking energy: -197.377 Base-Backbone interact. energy: -1.416 local terms energy: -344.604155 where: bonds (distance) C4'-P energy: -86.511 bonds (distance) P-C4' energy: -86.201 flat angles C4'-P-C4' energy: -89.611 flat angles P-C4'-P energy: -54.863 tors. eta vs tors. theta energy: -27.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -650.166151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.166151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.166151 (E_RNA) where: Base-Base interactions energy: -376.327 where: short stacking energy: -172.763 Base-Backbone interact. energy: 10.730 local terms energy: -284.569481 where: bonds (distance) C4'-P energy: -66.613 bonds (distance) P-C4' energy: -92.801 flat angles C4'-P-C4' energy: -59.869 flat angles P-C4'-P energy: -54.209 tors. eta vs tors. theta energy: -11.078 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: 486 Temperature: 1.350000 Total energy: -367.942402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.942402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.942402 (E_RNA) where: Base-Base interactions energy: -140.454 where: short stacking energy: -111.823 Base-Backbone interact. energy: 3.853 local terms energy: -231.342280 where: bonds (distance) C4'-P energy: -61.016 bonds (distance) P-C4' energy: -82.580 flat angles C4'-P-C4' energy: -64.778 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: 17.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1573.354198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.354198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.354198 (E_RNA) where: Base-Base interactions energy: -1052.234 where: short stacking energy: -475.368 Base-Backbone interact. energy: -2.233 local terms energy: -518.887119 where: bonds (distance) C4'-P energy: -106.575 bonds (distance) P-C4' energy: -99.229 flat angles C4'-P-C4' energy: -105.320 flat angles P-C4'-P energy: -75.995 tors. eta vs tors. theta energy: -131.769 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: 10 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1480.452851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.452851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.452851 (E_RNA) where: Base-Base interactions energy: -980.688 where: short stacking energy: -459.742 Base-Backbone interact. energy: -2.533 local terms energy: -497.231618 where: bonds (distance) C4'-P energy: -92.078 bonds (distance) P-C4' energy: -96.838 flat angles C4'-P-C4' energy: -102.211 flat angles P-C4'-P energy: -71.070 tors. eta vs tors. theta energy: -135.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1312.286886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.286886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.286886 (E_RNA) where: Base-Base interactions energy: -853.436 where: short stacking energy: -400.753 Base-Backbone interact. energy: -0.769 local terms energy: -458.082322 where: bonds (distance) C4'-P energy: -86.736 bonds (distance) P-C4' energy: -100.117 flat angles C4'-P-C4' energy: -107.897 flat angles P-C4'-P energy: -59.489 tors. eta vs tors. theta energy: -103.844 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: 487 Temperature: 1.050000 Total energy: -1236.275389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.275389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.275389 (E_RNA) where: Base-Base interactions energy: -816.366 where: short stacking energy: -368.645 Base-Backbone interact. energy: -2.063 local terms energy: -417.846519 where: bonds (distance) C4'-P energy: -73.726 bonds (distance) P-C4' energy: -88.406 flat angles C4'-P-C4' energy: -88.560 flat angles P-C4'-P energy: -74.330 tors. eta vs tors. theta energy: -92.825 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: 5, replica: 7 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1147.815874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.815874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.815874 (E_RNA) where: Base-Base interactions energy: -731.565 where: short stacking energy: -347.286 Base-Backbone interact. energy: -1.010 local terms energy: -415.240423 where: bonds (distance) C4'-P energy: -92.263 bonds (distance) P-C4' energy: -81.247 flat angles C4'-P-C4' energy: -89.858 flat angles P-C4'-P energy: -56.467 tors. eta vs tors. theta energy: -95.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -954.185416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.185416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.185416 (E_RNA) where: Base-Base interactions energy: -558.011 where: short stacking energy: -268.714 Base-Backbone interact. energy: -2.162 local terms energy: -394.012515 where: bonds (distance) C4'-P energy: -84.841 bonds (distance) P-C4' energy: -105.174 flat angles C4'-P-C4' energy: -80.916 flat angles P-C4'-P energy: -60.758 tors. eta vs tors. theta energy: -62.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -856.661604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.661604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.661604 (E_RNA) where: Base-Base interactions energy: -495.482 where: short stacking energy: -246.476 Base-Backbone interact. energy: -1.367 local terms energy: -359.811768 where: bonds (distance) C4'-P energy: -77.485 bonds (distance) P-C4' energy: -89.796 flat angles C4'-P-C4' energy: -89.711 flat angles P-C4'-P energy: -40.437 tors. eta vs tors. theta energy: -62.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -695.657299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.657299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.657299 (E_RNA) where: Base-Base interactions energy: -388.831 where: short stacking energy: -231.055 Base-Backbone interact. energy: 6.172 local terms energy: -312.997994 where: bonds (distance) C4'-P energy: -65.723 bonds (distance) P-C4' energy: -86.453 flat angles C4'-P-C4' energy: -74.829 flat angles P-C4'-P energy: -56.405 tors. eta vs tors. theta energy: -29.589 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: 3 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -646.522610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.522610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.522610 (E_RNA) where: Base-Base interactions energy: -340.358 where: short stacking energy: -177.076 Base-Backbone interact. energy: -0.044 local terms energy: -306.120598 where: bonds (distance) C4'-P energy: -79.593 bonds (distance) P-C4' energy: -85.946 flat angles C4'-P-C4' energy: -84.597 flat angles P-C4'-P energy: -31.769 tors. eta vs tors. theta energy: -24.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -408.918990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.918990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.918990 (E_RNA) where: Base-Base interactions energy: -130.225 where: short stacking energy: -112.707 Base-Backbone interact. energy: -0.034 local terms energy: -278.659842 where: bonds (distance) C4'-P energy: -83.836 bonds (distance) P-C4' energy: -87.238 flat angles C4'-P-C4' energy: -77.390 flat angles P-C4'-P energy: -40.346 tors. eta vs tors. theta energy: 10.150 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: 8 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1578.344989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.344989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.344989 (E_RNA) where: Base-Base interactions energy: -1059.172 where: short stacking energy: -464.804 Base-Backbone interact. energy: -4.630 local terms energy: -514.542606 where: bonds (distance) C4'-P energy: -93.808 bonds (distance) P-C4' energy: -101.805 flat angles C4'-P-C4' energy: -110.889 flat angles P-C4'-P energy: -66.791 tors. eta vs tors. theta energy: -141.249 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: 10 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1461.450949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.450949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.450949 (E_RNA) where: Base-Base interactions energy: -958.031 where: short stacking energy: -449.676 Base-Backbone interact. energy: -2.742 local terms energy: -500.678185 where: bonds (distance) C4'-P energy: -94.883 bonds (distance) P-C4' energy: -105.874 flat angles C4'-P-C4' energy: -107.155 flat angles P-C4'-P energy: -58.710 tors. eta vs tors. theta energy: -134.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1302.644454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.644454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.644454 (E_RNA) where: Base-Base interactions energy: -816.006 where: short stacking energy: -379.189 Base-Backbone interact. energy: -2.093 local terms energy: -484.545029 where: bonds (distance) C4'-P energy: -92.862 bonds (distance) P-C4' energy: -99.743 flat angles C4'-P-C4' energy: -104.193 flat angles P-C4'-P energy: -71.987 tors. eta vs tors. theta energy: -115.760 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: 488 Temperature: 1.050000 Total energy: -1243.205708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.205708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.205708 (E_RNA) where: Base-Base interactions energy: -827.151 where: short stacking energy: -353.309 Base-Backbone interact. energy: -0.483 local terms energy: -415.571995 where: bonds (distance) C4'-P energy: -86.213 bonds (distance) P-C4' energy: -94.537 flat angles C4'-P-C4' energy: -83.237 flat angles P-C4'-P energy: -61.621 tors. eta vs tors. theta energy: -89.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1193.247241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.247241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.247241 (E_RNA) where: Base-Base interactions energy: -755.673 where: short stacking energy: -380.414 Base-Backbone interact. energy: -1.399 local terms energy: -436.175448 where: bonds (distance) C4'-P energy: -78.686 bonds (distance) P-C4' energy: -94.945 flat angles C4'-P-C4' energy: -94.427 flat angles P-C4'-P energy: -61.358 tors. eta vs tors. theta energy: -106.759 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: 2 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -945.518566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.518566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.518566 (E_RNA) where: Base-Base interactions energy: -562.650 where: short stacking energy: -290.205 Base-Backbone interact. energy: -1.489 local terms energy: -381.379454 where: bonds (distance) C4'-P energy: -83.819 bonds (distance) P-C4' energy: -69.671 flat angles C4'-P-C4' energy: -91.521 flat angles P-C4'-P energy: -70.905 tors. eta vs tors. theta energy: -65.464 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: 1 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -900.289066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.289066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.289066 (E_RNA) where: Base-Base interactions energy: -563.492 where: short stacking energy: -292.771 Base-Backbone interact. energy: -1.044 local terms energy: -335.752840 where: bonds (distance) C4'-P energy: -76.038 bonds (distance) P-C4' energy: -68.217 flat angles C4'-P-C4' energy: -74.199 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: -54.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -649.146728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.146728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.146728 (E_RNA) where: Base-Base interactions energy: -352.609 where: short stacking energy: -183.807 Base-Backbone interact. energy: -1.685 local terms energy: -294.852506 where: bonds (distance) C4'-P energy: -62.812 bonds (distance) P-C4' energy: -86.810 flat angles C4'-P-C4' energy: -86.225 flat angles P-C4'-P energy: -51.198 tors. eta vs tors. theta energy: -7.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -657.676321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.676321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.676321 (E_RNA) where: Base-Base interactions energy: -359.070 where: short stacking energy: -188.902 Base-Backbone interact. energy: -0.321 local terms energy: -298.285745 where: bonds (distance) C4'-P energy: -57.638 bonds (distance) P-C4' energy: -90.776 flat angles C4'-P-C4' energy: -75.133 flat angles P-C4'-P energy: -52.014 tors. eta vs tors. theta energy: -22.725 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: 488 Temperature: 1.350000 Total energy: -418.110325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.110325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.110325 (E_RNA) where: Base-Base interactions energy: -178.155 where: short stacking energy: -135.187 Base-Backbone interact. energy: -1.770 local terms energy: -238.185296 where: bonds (distance) C4'-P energy: -84.177 bonds (distance) P-C4' energy: -79.317 flat angles C4'-P-C4' energy: -53.000 flat angles P-C4'-P energy: -32.252 tors. eta vs tors. theta energy: 10.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1556.711210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.711210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.711210 (E_RNA) where: Base-Base interactions energy: -1046.561 where: short stacking energy: -467.932 Base-Backbone interact. energy: -0.802 local terms energy: -509.348718 where: bonds (distance) C4'-P energy: -94.907 bonds (distance) P-C4' energy: -97.929 flat angles C4'-P-C4' energy: -108.544 flat angles P-C4'-P energy: -74.468 tors. eta vs tors. theta energy: -133.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1499.198400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.198400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.198400 (E_RNA) where: Base-Base interactions energy: -985.370 where: short stacking energy: -454.865 Base-Backbone interact. energy: -2.347 local terms energy: -511.480933 where: bonds (distance) C4'-P energy: -98.856 bonds (distance) P-C4' energy: -92.716 flat angles C4'-P-C4' energy: -104.943 flat angles P-C4'-P energy: -65.560 tors. eta vs tors. theta energy: -149.406 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: 4 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1272.944054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.944054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.944054 (E_RNA) where: Base-Base interactions energy: -849.768 where: short stacking energy: -390.796 Base-Backbone interact. energy: -2.607 local terms energy: -420.568970 where: bonds (distance) C4'-P energy: -76.551 bonds (distance) P-C4' energy: -88.635 flat angles C4'-P-C4' energy: -92.935 flat angles P-C4'-P energy: -66.343 tors. eta vs tors. theta energy: -96.104 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: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1325.844617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.844617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.844617 (E_RNA) where: Base-Base interactions energy: -885.459 where: short stacking energy: -381.503 Base-Backbone interact. energy: 0.353 local terms energy: -440.738549 where: bonds (distance) C4'-P energy: -88.324 bonds (distance) P-C4' energy: -87.631 flat angles C4'-P-C4' energy: -103.241 flat angles P-C4'-P energy: -68.785 tors. eta vs tors. theta energy: -92.757 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: 5, replica: 7 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1022.630825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.630825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.630825 (E_RNA) where: Base-Base interactions energy: -624.277 where: short stacking energy: -285.239 Base-Backbone interact. energy: -2.455 local terms energy: -395.898660 where: bonds (distance) C4'-P energy: -94.163 bonds (distance) P-C4' energy: -82.756 flat angles C4'-P-C4' energy: -96.891 flat angles P-C4'-P energy: -57.058 tors. eta vs tors. theta energy: -65.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -973.554538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.554538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.554538 (E_RNA) where: Base-Base interactions energy: -599.393 where: short stacking energy: -281.356 Base-Backbone interact. energy: -1.365 local terms energy: -372.796004 where: bonds (distance) C4'-P energy: -94.115 bonds (distance) P-C4' energy: -85.277 flat angles C4'-P-C4' energy: -81.671 flat angles P-C4'-P energy: -46.997 tors. eta vs tors. theta energy: -64.736 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: 7, replica: 1 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -794.973985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.973985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.973985 (E_RNA) where: Base-Base interactions energy: -455.569 where: short stacking energy: -225.097 Base-Backbone interact. energy: -1.815 local terms energy: -337.589461 where: bonds (distance) C4'-P energy: -75.298 bonds (distance) P-C4' energy: -81.349 flat angles C4'-P-C4' energy: -84.039 flat angles P-C4'-P energy: -58.120 tors. eta vs tors. theta energy: -38.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -711.684172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.684172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.684172 (E_RNA) where: Base-Base interactions energy: -388.509 where: short stacking energy: -186.346 Base-Backbone interact. energy: 0.670 local terms energy: -323.845490 where: bonds (distance) C4'-P energy: -77.742 bonds (distance) P-C4' energy: -96.219 flat angles C4'-P-C4' energy: -87.903 flat angles P-C4'-P energy: -39.759 tors. eta vs tors. theta energy: -22.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -623.398438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.398438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.398438 (E_RNA) where: Base-Base interactions energy: -327.473 where: short stacking energy: -172.123 Base-Backbone interact. energy: 3.530 local terms energy: -299.455629 where: bonds (distance) C4'-P energy: -72.627 bonds (distance) P-C4' energy: -100.414 flat angles C4'-P-C4' energy: -78.420 flat angles P-C4'-P energy: -41.761 tors. eta vs tors. theta energy: -6.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -408.562946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.562946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.562946 (E_RNA) where: Base-Base interactions energy: -161.659 where: short stacking energy: -118.712 Base-Backbone interact. energy: 6.407 local terms energy: -253.311548 where: bonds (distance) C4'-P energy: -80.081 bonds (distance) P-C4' energy: -87.267 flat angles C4'-P-C4' energy: -68.503 flat angles P-C4'-P energy: -30.717 tors. eta vs tors. theta energy: 13.257 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: 1, replica: 8 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1553.885606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.885606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.885606 (E_RNA) where: Base-Base interactions energy: -1043.504 where: short stacking energy: -466.839 Base-Backbone interact. energy: -3.714 local terms energy: -506.667554 where: bonds (distance) C4'-P energy: -94.515 bonds (distance) P-C4' energy: -102.090 flat angles C4'-P-C4' energy: -105.494 flat angles P-C4'-P energy: -69.868 tors. eta vs tors. theta energy: -134.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1508.458064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.458064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.458064 (E_RNA) where: Base-Base interactions energy: -998.622 where: short stacking energy: -469.548 Base-Backbone interact. energy: -0.512 local terms energy: -509.324163 where: bonds (distance) C4'-P energy: -95.802 bonds (distance) P-C4' energy: -90.908 flat angles C4'-P-C4' energy: -113.813 flat angles P-C4'-P energy: -69.016 tors. eta vs tors. theta energy: -139.786 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: 6 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1364.317166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.317166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.317166 (E_RNA) where: Base-Base interactions energy: -891.637 where: short stacking energy: -379.580 Base-Backbone interact. energy: -3.800 local terms energy: -468.880018 where: bonds (distance) C4'-P energy: -101.745 bonds (distance) P-C4' energy: -89.417 flat angles C4'-P-C4' energy: -97.668 flat angles P-C4'-P energy: -67.964 tors. eta vs tors. theta energy: -112.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1252.515596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.515596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.515596 (E_RNA) where: Base-Base interactions energy: -813.038 where: short stacking energy: -385.247 Base-Backbone interact. energy: -1.216 local terms energy: -438.262280 where: bonds (distance) C4'-P energy: -88.137 bonds (distance) P-C4' energy: -88.162 flat angles C4'-P-C4' energy: -88.834 flat angles P-C4'-P energy: -65.025 tors. eta vs tors. theta energy: -108.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1062.082345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.082345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.082345 (E_RNA) where: Base-Base interactions energy: -658.123 where: short stacking energy: -319.137 Base-Backbone interact. energy: -0.730 local terms energy: -403.229445 where: bonds (distance) C4'-P energy: -87.737 bonds (distance) P-C4' energy: -84.493 flat angles C4'-P-C4' energy: -87.439 flat angles P-C4'-P energy: -55.453 tors. eta vs tors. theta energy: -88.107 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: 2 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -951.109537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.109537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.109537 (E_RNA) where: Base-Base interactions energy: -580.119 where: short stacking energy: -252.462 Base-Backbone interact. energy: 0.649 local terms energy: -371.639351 where: bonds (distance) C4'-P energy: -82.320 bonds (distance) P-C4' energy: -92.057 flat angles C4'-P-C4' energy: -77.417 flat angles P-C4'-P energy: -67.172 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: 7, replica: 1 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -831.783712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.783712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.783712 (E_RNA) where: Base-Base interactions energy: -502.760 where: short stacking energy: -256.470 Base-Backbone interact. energy: -1.305 local terms energy: -327.718081 where: bonds (distance) C4'-P energy: -83.774 bonds (distance) P-C4' energy: -79.708 flat angles C4'-P-C4' energy: -76.255 flat angles P-C4'-P energy: -58.197 tors. eta vs tors. theta energy: -29.785 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: 3 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -682.569849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.569849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.569849 (E_RNA) where: Base-Base interactions energy: -361.678 where: short stacking energy: -190.523 Base-Backbone interact. energy: 7.365 local terms energy: -328.256957 where: bonds (distance) C4'-P energy: -78.899 bonds (distance) P-C4' energy: -84.423 flat angles C4'-P-C4' energy: -79.242 flat angles P-C4'-P energy: -64.291 tors. eta vs tors. theta energy: -21.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -651.873103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.873103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.873103 (E_RNA) where: Base-Base interactions energy: -376.815 where: short stacking energy: -214.512 Base-Backbone interact. energy: -0.047 local terms energy: -275.011260 where: bonds (distance) C4'-P energy: -78.715 bonds (distance) P-C4' energy: -82.908 flat angles C4'-P-C4' energy: -59.181 flat angles P-C4'-P energy: -38.157 tors. eta vs tors. theta energy: -16.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -365.451154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.451154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.451154 (E_RNA) where: Base-Base interactions energy: -126.144 where: short stacking energy: -101.776 Base-Backbone interact. energy: -1.358 local terms energy: -237.948379 where: bonds (distance) C4'-P energy: -66.460 bonds (distance) P-C4' energy: -72.744 flat angles C4'-P-C4' energy: -70.576 flat angles P-C4'-P energy: -46.590 tors. eta vs tors. theta energy: 18.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1570.341660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.341660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.341660 (E_RNA) where: Base-Base interactions energy: -1057.193 where: short stacking energy: -479.280 Base-Backbone interact. energy: -2.151 local terms energy: -510.997211 where: bonds (distance) C4'-P energy: -87.039 bonds (distance) P-C4' energy: -99.360 flat angles C4'-P-C4' energy: -108.226 flat angles P-C4'-P energy: -74.633 tors. eta vs tors. theta energy: -141.740 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: 10 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1477.008819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.008819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.008819 (E_RNA) where: Base-Base interactions energy: -969.055 where: short stacking energy: -425.709 Base-Backbone interact. energy: 1.078 local terms energy: -509.031613 where: bonds (distance) C4'-P energy: -95.614 bonds (distance) P-C4' energy: -82.523 flat angles C4'-P-C4' energy: -108.819 flat angles P-C4'-P energy: -78.200 tors. eta vs tors. theta energy: -143.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1382.318414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.318414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.318414 (E_RNA) where: Base-Base interactions energy: -935.067 where: short stacking energy: -394.597 Base-Backbone interact. energy: -3.753 local terms energy: -443.498223 where: bonds (distance) C4'-P energy: -86.213 bonds (distance) P-C4' energy: -101.412 flat angles C4'-P-C4' energy: -84.896 flat angles P-C4'-P energy: -67.255 tors. eta vs tors. theta energy: -103.722 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: 4 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1230.604446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.604446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.604446 (E_RNA) where: Base-Base interactions energy: -792.800 where: short stacking energy: -369.701 Base-Backbone interact. energy: -2.580 local terms energy: -435.224512 where: bonds (distance) C4'-P energy: -93.520 bonds (distance) P-C4' energy: -82.381 flat angles C4'-P-C4' energy: -95.302 flat angles P-C4'-P energy: -61.448 tors. eta vs tors. theta energy: -102.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1091.575964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.575964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.575964 (E_RNA) where: Base-Base interactions energy: -697.824 where: short stacking energy: -350.435 Base-Backbone interact. energy: -1.576 local terms energy: -392.176522 where: bonds (distance) C4'-P energy: -70.139 bonds (distance) P-C4' energy: -74.104 flat angles C4'-P-C4' energy: -93.988 flat angles P-C4'-P energy: -56.966 tors. eta vs tors. theta energy: -96.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -944.242573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.242573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.242573 (E_RNA) where: Base-Base interactions energy: -575.338 where: short stacking energy: -277.467 Base-Backbone interact. energy: 1.841 local terms energy: -370.746376 where: bonds (distance) C4'-P energy: -96.813 bonds (distance) P-C4' energy: -74.415 flat angles C4'-P-C4' energy: -78.078 flat angles P-C4'-P energy: -55.902 tors. eta vs tors. theta energy: -65.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -865.407656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.407656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.407656 (E_RNA) where: Base-Base interactions energy: -504.146 where: short stacking energy: -261.162 Base-Backbone interact. energy: -1.428 local terms energy: -359.833130 where: bonds (distance) C4'-P energy: -72.807 bonds (distance) P-C4' energy: -86.845 flat angles C4'-P-C4' energy: -87.979 flat angles P-C4'-P energy: -54.523 tors. eta vs tors. theta energy: -57.679 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: 3 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -685.575808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.575808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.575808 (E_RNA) where: Base-Base interactions energy: -380.704 where: short stacking energy: -180.410 Base-Backbone interact. energy: -2.867 local terms energy: -302.004814 where: bonds (distance) C4'-P energy: -69.162 bonds (distance) P-C4' energy: -77.278 flat angles C4'-P-C4' energy: -88.511 flat angles P-C4'-P energy: -57.580 tors. eta vs tors. theta energy: -9.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -615.752639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.752639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.752639 (E_RNA) where: Base-Base interactions energy: -337.273 where: short stacking energy: -181.429 Base-Backbone interact. energy: 3.678 local terms energy: -282.157467 where: bonds (distance) C4'-P energy: -80.875 bonds (distance) P-C4' energy: -75.497 flat angles C4'-P-C4' energy: -74.704 flat angles P-C4'-P energy: -41.162 tors. eta vs tors. theta energy: -9.919 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: 491 Temperature: 1.350000 Total energy: -366.573439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.573439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.573439 (E_RNA) where: Base-Base interactions energy: -121.770 where: short stacking energy: -97.687 Base-Backbone interact. energy: -0.052 local terms energy: -244.751444 where: bonds (distance) C4'-P energy: -69.129 bonds (distance) P-C4' energy: -87.666 flat angles C4'-P-C4' energy: -64.689 flat angles P-C4'-P energy: -42.080 tors. eta vs tors. theta energy: 18.813 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: 8 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1592.854393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.854393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.854393 (E_RNA) where: Base-Base interactions energy: -1077.027 where: short stacking energy: -488.876 Base-Backbone interact. energy: -3.415 local terms energy: -512.412663 where: bonds (distance) C4'-P energy: -98.609 bonds (distance) P-C4' energy: -92.512 flat angles C4'-P-C4' energy: -96.291 flat angles P-C4'-P energy: -79.177 tors. eta vs tors. theta energy: -145.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1497.487808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.487808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.487808 (E_RNA) where: Base-Base interactions energy: -993.895 where: short stacking energy: -456.780 Base-Backbone interact. energy: -2.711 local terms energy: -500.882185 where: bonds (distance) C4'-P energy: -92.595 bonds (distance) P-C4' energy: -96.909 flat angles C4'-P-C4' energy: -102.043 flat angles P-C4'-P energy: -62.259 tors. eta vs tors. theta energy: -147.077 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: 3, replica: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1369.033091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.033091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.033091 (E_RNA) where: Base-Base interactions energy: -936.900 where: short stacking energy: -379.339 Base-Backbone interact. energy: 0.352 local terms energy: -432.485468 where: bonds (distance) C4'-P energy: -79.301 bonds (distance) P-C4' energy: -81.232 flat angles C4'-P-C4' energy: -106.181 flat angles P-C4'-P energy: -66.211 tors. eta vs tors. theta energy: -99.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1213.152441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.152441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.152441 (E_RNA) where: Base-Base interactions energy: -787.806 where: short stacking energy: -355.553 Base-Backbone interact. energy: -3.133 local terms energy: -422.213506 where: bonds (distance) C4'-P energy: -81.068 bonds (distance) P-C4' energy: -94.744 flat angles C4'-P-C4' energy: -100.470 flat angles P-C4'-P energy: -56.414 tors. eta vs tors. theta energy: -89.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1110.909758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.909758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.909758 (E_RNA) where: Base-Base interactions energy: -710.807 where: short stacking energy: -329.201 Base-Backbone interact. energy: -1.183 local terms energy: -398.920572 where: bonds (distance) C4'-P energy: -69.305 bonds (distance) P-C4' energy: -90.917 flat angles C4'-P-C4' energy: -98.032 flat angles P-C4'-P energy: -66.289 tors. eta vs tors. theta energy: -74.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -966.525308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.525308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.525308 (E_RNA) where: Base-Base interactions energy: -583.636 where: short stacking energy: -279.328 Base-Backbone interact. energy: -0.914 local terms energy: -381.975358 where: bonds (distance) C4'-P energy: -92.494 bonds (distance) P-C4' energy: -91.947 flat angles C4'-P-C4' energy: -80.793 flat angles P-C4'-P energy: -37.512 tors. eta vs tors. theta energy: -79.229 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: 1 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -827.521868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.521868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.521868 (E_RNA) where: Base-Base interactions energy: -468.632 where: short stacking energy: -244.537 Base-Backbone interact. energy: 2.495 local terms energy: -361.384739 where: bonds (distance) C4'-P energy: -80.437 bonds (distance) P-C4' energy: -78.404 flat angles C4'-P-C4' energy: -93.787 flat angles P-C4'-P energy: -55.915 tors. eta vs tors. theta energy: -52.842 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: 8, replica: 3 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -734.622977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.622977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.622977 (E_RNA) where: Base-Base interactions energy: -409.810 where: short stacking energy: -214.762 Base-Backbone interact. energy: -2.955 local terms energy: -321.858070 where: bonds (distance) C4'-P energy: -75.018 bonds (distance) P-C4' energy: -94.544 flat angles C4'-P-C4' energy: -78.495 flat angles P-C4'-P energy: -48.368 tors. eta vs tors. theta energy: -25.432 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: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -627.250907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.250907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.250907 (E_RNA) where: Base-Base interactions energy: -349.704 where: short stacking energy: -160.136 Base-Backbone interact. energy: 4.064 local terms energy: -281.610442 where: bonds (distance) C4'-P energy: -97.695 bonds (distance) P-C4' energy: -73.264 flat angles C4'-P-C4' energy: -60.510 flat angles P-C4'-P energy: -41.221 tors. eta vs tors. theta energy: -8.921 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: 10, replica: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -372.585986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.585986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.585986 (E_RNA) where: Base-Base interactions energy: -157.075 where: short stacking energy: -113.186 Base-Backbone interact. energy: -2.919 local terms energy: -212.592152 where: bonds (distance) C4'-P energy: -78.902 bonds (distance) P-C4' energy: -82.524 flat angles C4'-P-C4' energy: -45.052 flat angles P-C4'-P energy: -37.652 tors. eta vs tors. theta energy: 31.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1575.558061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.558061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.558061 (E_RNA) where: Base-Base interactions energy: -1072.025 where: short stacking energy: -463.179 Base-Backbone interact. energy: -1.793 local terms energy: -501.740391 where: bonds (distance) C4'-P energy: -93.817 bonds (distance) P-C4' energy: -99.279 flat angles C4'-P-C4' energy: -100.985 flat angles P-C4'-P energy: -62.565 tors. eta vs tors. theta energy: -145.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1502.999867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.999867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.999867 (E_RNA) where: Base-Base interactions energy: -995.588 where: short stacking energy: -471.834 Base-Backbone interact. energy: -2.162 local terms energy: -505.249293 where: bonds (distance) C4'-P energy: -86.466 bonds (distance) P-C4' energy: -95.409 flat angles C4'-P-C4' energy: -101.467 flat angles P-C4'-P energy: -76.620 tors. eta vs tors. theta energy: -145.287 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: 6 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1379.609756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.609756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.609756 (E_RNA) where: Base-Base interactions energy: -916.323 where: short stacking energy: -389.554 Base-Backbone interact. energy: -2.939 local terms energy: -460.348340 where: bonds (distance) C4'-P energy: -86.861 bonds (distance) P-C4' energy: -101.801 flat angles C4'-P-C4' energy: -100.241 flat angles P-C4'-P energy: -69.733 tors. eta vs tors. theta energy: -101.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1148.016246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.016246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.016246 (E_RNA) where: Base-Base interactions energy: -743.111 where: short stacking energy: -343.953 Base-Backbone interact. energy: 0.189 local terms energy: -405.094138 where: bonds (distance) C4'-P energy: -87.543 bonds (distance) P-C4' energy: -87.601 flat angles C4'-P-C4' energy: -92.401 flat angles P-C4'-P energy: -49.467 tors. eta vs tors. theta energy: -88.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1168.086097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.086097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.086097 (E_RNA) where: Base-Base interactions energy: -742.183 where: short stacking energy: -335.688 Base-Backbone interact. energy: -1.882 local terms energy: -424.021453 where: bonds (distance) C4'-P energy: -82.739 bonds (distance) P-C4' energy: -92.597 flat angles C4'-P-C4' energy: -97.980 flat angles P-C4'-P energy: -68.678 tors. eta vs tors. theta energy: -82.028 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: 493 Temperature: 1.150000 Total energy: -946.601325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.601325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.601325 (E_RNA) where: Base-Base interactions energy: -546.634 where: short stacking energy: -276.407 Base-Backbone interact. energy: -0.556 local terms energy: -399.411133 where: bonds (distance) C4'-P energy: -92.922 bonds (distance) P-C4' energy: -88.108 flat angles C4'-P-C4' energy: -89.359 flat angles P-C4'-P energy: -50.938 tors. eta vs tors. theta energy: -78.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -812.748713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.748713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.748713 (E_RNA) where: Base-Base interactions energy: -478.045 where: short stacking energy: -237.495 Base-Backbone interact. energy: -0.290 local terms energy: -334.413510 where: bonds (distance) C4'-P energy: -84.685 bonds (distance) P-C4' energy: -79.867 flat angles C4'-P-C4' energy: -73.739 flat angles P-C4'-P energy: -44.933 tors. eta vs tors. theta energy: -51.189 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: 3 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -698.492641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.492641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.492641 (E_RNA) where: Base-Base interactions energy: -407.772 where: short stacking energy: -189.852 Base-Backbone interact. energy: 1.399 local terms energy: -292.119849 where: bonds (distance) C4'-P energy: -73.347 bonds (distance) P-C4' energy: -78.917 flat angles C4'-P-C4' energy: -67.917 flat angles P-C4'-P energy: -53.420 tors. eta vs tors. theta energy: -18.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -705.577769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.577769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.577769 (E_RNA) where: Base-Base interactions energy: -395.086 where: short stacking energy: -196.674 Base-Backbone interact. energy: -0.105 local terms energy: -310.386855 where: bonds (distance) C4'-P energy: -69.465 bonds (distance) P-C4' energy: -79.204 flat angles C4'-P-C4' energy: -92.488 flat angles P-C4'-P energy: -50.514 tors. eta vs tors. theta energy: -18.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -370.517646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.517646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.517646 (E_RNA) where: Base-Base interactions energy: -161.924 where: short stacking energy: -89.560 Base-Backbone interact. energy: -0.539 local terms energy: -208.054700 where: bonds (distance) C4'-P energy: -56.959 bonds (distance) P-C4' energy: -86.217 flat angles C4'-P-C4' energy: -55.729 flat angles P-C4'-P energy: -37.641 tors. eta vs tors. theta energy: 28.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1578.789879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.789879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.789879 (E_RNA) where: Base-Base interactions energy: -1070.771 where: short stacking energy: -464.727 Base-Backbone interact. energy: -2.870 local terms energy: -505.148398 where: bonds (distance) C4'-P energy: -95.323 bonds (distance) P-C4' energy: -97.871 flat angles C4'-P-C4' energy: -104.365 flat angles P-C4'-P energy: -65.137 tors. eta vs tors. theta energy: -142.453 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: 10 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1505.250732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.250732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.250732 (E_RNA) where: Base-Base interactions energy: -993.761 where: short stacking energy: -465.174 Base-Backbone interact. energy: -0.290 local terms energy: -511.199646 where: bonds (distance) C4'-P energy: -96.727 bonds (distance) P-C4' energy: -95.809 flat angles C4'-P-C4' energy: -112.836 flat angles P-C4'-P energy: -67.460 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: 3, replica: 6 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1398.221388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.221388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.221388 (E_RNA) where: Base-Base interactions energy: -932.963 where: short stacking energy: -389.692 Base-Backbone interact. energy: -5.639 local terms energy: -459.619433 where: bonds (distance) C4'-P energy: -94.907 bonds (distance) P-C4' energy: -98.391 flat angles C4'-P-C4' energy: -104.545 flat angles P-C4'-P energy: -60.875 tors. eta vs tors. theta energy: -100.902 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: 4, replica: 7 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1173.098058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.098058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.098058 (E_RNA) where: Base-Base interactions energy: -745.440 where: short stacking energy: -350.439 Base-Backbone interact. energy: -4.734 local terms energy: -422.923768 where: bonds (distance) C4'-P energy: -81.722 bonds (distance) P-C4' energy: -89.087 flat angles C4'-P-C4' energy: -96.878 flat angles P-C4'-P energy: -58.767 tors. eta vs tors. theta energy: -96.470 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: 4 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1187.865349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.865349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.865349 (E_RNA) where: Base-Base interactions energy: -761.448 where: short stacking energy: -363.583 Base-Backbone interact. energy: 0.864 local terms energy: -427.280726 where: bonds (distance) C4'-P energy: -78.975 bonds (distance) P-C4' energy: -91.894 flat angles C4'-P-C4' energy: -101.149 flat angles P-C4'-P energy: -55.615 tors. eta vs tors. theta energy: -99.648 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: 2 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -995.807399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.807399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.807399 (E_RNA) where: Base-Base interactions energy: -608.896 where: short stacking energy: -313.034 Base-Backbone interact. energy: -1.366 local terms energy: -385.545577 where: bonds (distance) C4'-P energy: -84.059 bonds (distance) P-C4' energy: -76.846 flat angles C4'-P-C4' energy: -78.862 flat angles P-C4'-P energy: -57.630 tors. eta vs tors. theta energy: -88.148 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: 1 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -814.114131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.114131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.114131 (E_RNA) where: Base-Base interactions energy: -478.996 where: short stacking energy: -240.780 Base-Backbone interact. energy: -0.157 local terms energy: -334.961170 where: bonds (distance) C4'-P energy: -74.811 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -76.676 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: -40.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -711.536376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.536376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.536376 (E_RNA) where: Base-Base interactions energy: -400.654 where: short stacking energy: -211.014 Base-Backbone interact. energy: 0.936 local terms energy: -311.818314 where: bonds (distance) C4'-P energy: -85.403 bonds (distance) P-C4' energy: -80.035 flat angles C4'-P-C4' energy: -86.114 flat angles P-C4'-P energy: -34.973 tors. eta vs tors. theta energy: -25.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -654.669834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.669834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.669834 (E_RNA) where: Base-Base interactions energy: -373.255 where: short stacking energy: -175.455 Base-Backbone interact. energy: -0.242 local terms energy: -281.172535 where: bonds (distance) C4'-P energy: -69.664 bonds (distance) P-C4' energy: -93.365 flat angles C4'-P-C4' energy: -67.105 flat angles P-C4'-P energy: -41.169 tors. eta vs tors. theta energy: -9.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -364.746932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.746932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.746932 (E_RNA) where: Base-Base interactions energy: -133.865 where: short stacking energy: -105.670 Base-Backbone interact. energy: 1.815 local terms energy: -232.696390 where: bonds (distance) C4'-P energy: -79.700 bonds (distance) P-C4' energy: -77.056 flat angles C4'-P-C4' energy: -64.797 flat angles P-C4'-P energy: -36.592 tors. eta vs tors. theta energy: 25.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1571.617508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.617508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.617508 (E_RNA) where: Base-Base interactions energy: -1055.447 where: short stacking energy: -472.779 Base-Backbone interact. energy: -0.815 local terms energy: -515.355591 where: bonds (distance) C4'-P energy: -97.611 bonds (distance) P-C4' energy: -104.825 flat angles C4'-P-C4' energy: -106.723 flat angles P-C4'-P energy: -64.055 tors. eta vs tors. theta energy: -142.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1523.351924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.351924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.351924 (E_RNA) where: Base-Base interactions energy: -1015.445 where: short stacking energy: -483.830 Base-Backbone interact. energy: -0.895 local terms energy: -507.012224 where: bonds (distance) C4'-P energy: -93.520 bonds (distance) P-C4' energy: -101.755 flat angles C4'-P-C4' energy: -97.744 flat angles P-C4'-P energy: -71.426 tors. eta vs tors. theta energy: -142.567 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: 6 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1373.420045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.420045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.420045 (E_RNA) where: Base-Base interactions energy: -926.749 where: short stacking energy: -404.832 Base-Backbone interact. energy: -2.758 local terms energy: -443.912648 where: bonds (distance) C4'-P energy: -94.701 bonds (distance) P-C4' energy: -84.802 flat angles C4'-P-C4' energy: -97.227 flat angles P-C4'-P energy: -61.396 tors. eta vs tors. theta energy: -105.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1164.456047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.456047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.456047 (E_RNA) where: Base-Base interactions energy: -740.960 where: short stacking energy: -357.382 Base-Backbone interact. energy: -1.646 local terms energy: -421.850138 where: bonds (distance) C4'-P energy: -86.391 bonds (distance) P-C4' energy: -89.303 flat angles C4'-P-C4' energy: -97.866 flat angles P-C4'-P energy: -65.955 tors. eta vs tors. theta energy: -82.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1206.175028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.175028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.175028 (E_RNA) where: Base-Base interactions energy: -793.528 where: short stacking energy: -363.388 Base-Backbone interact. energy: -0.243 local terms energy: -412.404371 where: bonds (distance) C4'-P energy: -88.198 bonds (distance) P-C4' energy: -63.578 flat angles C4'-P-C4' energy: -86.968 flat angles P-C4'-P energy: -69.432 tors. eta vs tors. theta energy: -104.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -977.008879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.008879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.008879 (E_RNA) where: Base-Base interactions energy: -598.000 where: short stacking energy: -302.169 Base-Backbone interact. energy: 0.516 local terms energy: -379.524318 where: bonds (distance) C4'-P energy: -66.307 bonds (distance) P-C4' energy: -79.786 flat angles C4'-P-C4' energy: -93.639 flat angles P-C4'-P energy: -59.016 tors. eta vs tors. theta energy: -80.777 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: 7, replica: 1 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -863.679709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.679709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.679709 (E_RNA) where: Base-Base interactions energy: -539.888 where: short stacking energy: -254.036 Base-Backbone interact. energy: -0.512 local terms energy: -323.279512 where: bonds (distance) C4'-P energy: -79.803 bonds (distance) P-C4' energy: -79.953 flat angles C4'-P-C4' energy: -76.666 flat angles P-C4'-P energy: -36.271 tors. eta vs tors. theta energy: -50.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -734.308372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.308372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.308372 (E_RNA) where: Base-Base interactions energy: -425.533 where: short stacking energy: -219.800 Base-Backbone interact. energy: 1.707 local terms energy: -310.482633 where: bonds (distance) C4'-P energy: -77.642 bonds (distance) P-C4' energy: -80.791 flat angles C4'-P-C4' energy: -75.037 flat angles P-C4'-P energy: -46.800 tors. eta vs tors. theta energy: -30.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -648.056353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.056353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.056353 (E_RNA) where: Base-Base interactions energy: -365.625 where: short stacking energy: -183.254 Base-Backbone interact. energy: -0.131 local terms energy: -282.299832 where: bonds (distance) C4'-P energy: -83.977 bonds (distance) P-C4' energy: -89.114 flat angles C4'-P-C4' energy: -77.434 flat angles P-C4'-P energy: -24.696 tors. eta vs tors. theta energy: -7.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -370.158642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.158642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.158642 (E_RNA) where: Base-Base interactions energy: -114.831 where: short stacking energy: -105.703 Base-Backbone interact. energy: -2.962 local terms energy: -252.364989 where: bonds (distance) C4'-P energy: -82.278 bonds (distance) P-C4' energy: -83.942 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -21.128 tors. eta vs tors. theta energy: 10.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1543.251986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.251986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.251986 (E_RNA) where: Base-Base interactions energy: -1039.438 where: short stacking energy: -449.492 Base-Backbone interact. energy: -3.625 local terms energy: -500.188805 where: bonds (distance) C4'-P energy: -93.807 bonds (distance) P-C4' energy: -92.039 flat angles C4'-P-C4' energy: -108.573 flat angles P-C4'-P energy: -63.487 tors. eta vs tors. theta energy: -142.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1506.786366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.786366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.786366 (E_RNA) where: Base-Base interactions energy: -1016.246 where: short stacking energy: -462.757 Base-Backbone interact. energy: -2.129 local terms energy: -488.411052 where: bonds (distance) C4'-P energy: -93.825 bonds (distance) P-C4' energy: -93.137 flat angles C4'-P-C4' energy: -89.391 flat angles P-C4'-P energy: -72.069 tors. eta vs tors. theta energy: -139.988 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: 6 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1350.953322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.953322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.953322 (E_RNA) where: Base-Base interactions energy: -898.158 where: short stacking energy: -371.133 Base-Backbone interact. energy: -1.956 local terms energy: -450.839436 where: bonds (distance) C4'-P energy: -84.716 bonds (distance) P-C4' energy: -110.095 flat angles C4'-P-C4' energy: -107.023 flat angles P-C4'-P energy: -59.353 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: 4, replica: 7 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1158.998749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.998749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.998749 (E_RNA) where: Base-Base interactions energy: -741.951 where: short stacking energy: -338.618 Base-Backbone interact. energy: -1.757 local terms energy: -415.290816 where: bonds (distance) C4'-P energy: -85.730 bonds (distance) P-C4' energy: -89.925 flat angles C4'-P-C4' energy: -98.447 flat angles P-C4'-P energy: -56.210 tors. eta vs tors. theta energy: -84.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1168.869475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.869475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.869475 (E_RNA) where: Base-Base interactions energy: -745.826 where: short stacking energy: -338.503 Base-Backbone interact. energy: -2.410 local terms energy: -420.633035 where: bonds (distance) C4'-P energy: -79.809 bonds (distance) P-C4' energy: -81.688 flat angles C4'-P-C4' energy: -94.877 flat angles P-C4'-P energy: -69.337 tors. eta vs tors. theta energy: -94.922 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: 6, replica: 2 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -987.621393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.621393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.621393 (E_RNA) where: Base-Base interactions energy: -588.511 where: short stacking energy: -283.237 Base-Backbone interact. energy: -0.032 local terms energy: -399.077544 where: bonds (distance) C4'-P energy: -90.788 bonds (distance) P-C4' energy: -99.127 flat angles C4'-P-C4' energy: -82.106 flat angles P-C4'-P energy: -65.286 tors. eta vs tors. theta energy: -61.771 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: 1 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -869.428872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.428872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.428872 (E_RNA) where: Base-Base interactions energy: -553.741 where: short stacking energy: -258.552 Base-Backbone interact. energy: -0.580 local terms energy: -315.108220 where: bonds (distance) C4'-P energy: -68.955 bonds (distance) P-C4' energy: -86.230 flat angles C4'-P-C4' energy: -74.957 flat angles P-C4'-P energy: -49.880 tors. eta vs tors. theta energy: -35.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -736.613489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.613489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.613489 (E_RNA) where: Base-Base interactions energy: -437.183 where: short stacking energy: -201.201 Base-Backbone interact. energy: 2.687 local terms energy: -302.117074 where: bonds (distance) C4'-P energy: -87.278 bonds (distance) P-C4' energy: -84.238 flat angles C4'-P-C4' energy: -72.693 flat angles P-C4'-P energy: -40.071 tors. eta vs tors. theta energy: -17.837 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: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -638.575168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.575168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.575168 (E_RNA) where: Base-Base interactions energy: -371.549 where: short stacking energy: -173.324 Base-Backbone interact. energy: 1.281 local terms energy: -268.306209 where: bonds (distance) C4'-P energy: -77.408 bonds (distance) P-C4' energy: -93.338 flat angles C4'-P-C4' energy: -55.170 flat angles P-C4'-P energy: -41.665 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -376.722802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.722802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.722802 (E_RNA) where: Base-Base interactions energy: -117.654 where: short stacking energy: -101.954 Base-Backbone interact. energy: 3.034 local terms energy: -262.102261 where: bonds (distance) C4'-P energy: -72.851 bonds (distance) P-C4' energy: -85.968 flat angles C4'-P-C4' energy: -71.980 flat angles P-C4'-P energy: -48.489 tors. eta vs tors. theta energy: 17.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1588.191976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.191976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.191976 (E_RNA) where: Base-Base interactions energy: -1087.164 where: short stacking energy: -467.047 Base-Backbone interact. energy: -1.397 local terms energy: -499.630487 where: bonds (distance) C4'-P energy: -96.194 bonds (distance) P-C4' energy: -103.441 flat angles C4'-P-C4' energy: -93.145 flat angles P-C4'-P energy: -62.999 tors. eta vs tors. theta energy: -143.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1517.411472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.411472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.411472 (E_RNA) where: Base-Base interactions energy: -1006.999 where: short stacking energy: -468.354 Base-Backbone interact. energy: -0.318 local terms energy: -510.094740 where: bonds (distance) C4'-P energy: -99.218 bonds (distance) P-C4' energy: -87.561 flat angles C4'-P-C4' energy: -111.971 flat angles P-C4'-P energy: -66.511 tors. eta vs tors. theta energy: -144.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1355.689725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.689725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.689725 (E_RNA) where: Base-Base interactions energy: -908.216 where: short stacking energy: -399.857 Base-Backbone interact. energy: -4.078 local terms energy: -443.396031 where: bonds (distance) C4'-P energy: -89.454 bonds (distance) P-C4' energy: -79.169 flat angles C4'-P-C4' energy: -112.583 flat angles P-C4'-P energy: -72.866 tors. eta vs tors. theta energy: -89.323 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: 4, replica: 4 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1211.866237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.866237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.866237 (E_RNA) where: Base-Base interactions energy: -738.973 where: short stacking energy: -345.142 Base-Backbone interact. energy: -2.064 local terms energy: -470.829015 where: bonds (distance) C4'-P energy: -101.563 bonds (distance) P-C4' energy: -97.610 flat angles C4'-P-C4' energy: -106.133 flat angles P-C4'-P energy: -67.805 tors. eta vs tors. theta energy: -97.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1106.976791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.976791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.976791 (E_RNA) where: Base-Base interactions energy: -699.202 where: short stacking energy: -335.288 Base-Backbone interact. energy: -3.212 local terms energy: -404.562697 where: bonds (distance) C4'-P energy: -73.633 bonds (distance) P-C4' energy: -79.406 flat angles C4'-P-C4' energy: -95.091 flat angles P-C4'-P energy: -66.574 tors. eta vs tors. theta energy: -89.859 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: 2 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -971.121778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.121778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.121778 (E_RNA) where: Base-Base interactions energy: -591.965 where: short stacking energy: -291.324 Base-Backbone interact. energy: -1.020 local terms energy: -378.136683 where: bonds (distance) C4'-P energy: -72.859 bonds (distance) P-C4' energy: -89.582 flat angles C4'-P-C4' energy: -88.599 flat angles P-C4'-P energy: -64.998 tors. eta vs tors. theta energy: -62.099 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: 1 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -867.003805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.003805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.003805 (E_RNA) where: Base-Base interactions energy: -525.988 where: short stacking energy: -250.723 Base-Backbone interact. energy: 0.947 local terms energy: -341.963094 where: bonds (distance) C4'-P energy: -90.136 bonds (distance) P-C4' energy: -86.904 flat angles C4'-P-C4' energy: -77.303 flat angles P-C4'-P energy: -50.126 tors. eta vs tors. theta energy: -37.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -703.140380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.140380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.140380 (E_RNA) where: Base-Base interactions energy: -413.212 where: short stacking energy: -207.305 Base-Backbone interact. energy: 0.039 local terms energy: -289.967281 where: bonds (distance) C4'-P energy: -72.940 bonds (distance) P-C4' energy: -93.607 flat angles C4'-P-C4' energy: -73.571 flat angles P-C4'-P energy: -39.569 tors. eta vs tors. theta energy: -10.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -648.548378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.548378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.548378 (E_RNA) where: Base-Base interactions energy: -349.474 where: short stacking energy: -193.363 Base-Backbone interact. energy: -2.507 local terms energy: -296.566881 where: bonds (distance) C4'-P energy: -83.680 bonds (distance) P-C4' energy: -75.492 flat angles C4'-P-C4' energy: -63.750 flat angles P-C4'-P energy: -49.227 tors. eta vs tors. theta energy: -24.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -386.848727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.848727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.848727 (E_RNA) where: Base-Base interactions energy: -164.160 where: short stacking energy: -133.558 Base-Backbone interact. energy: 0.928 local terms energy: -223.616459 where: bonds (distance) C4'-P energy: -90.673 bonds (distance) P-C4' energy: -67.002 flat angles C4'-P-C4' energy: -58.530 flat angles P-C4'-P energy: -31.984 tors. eta vs tors. theta energy: 24.573 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) out arg RESULTS//1/R4-dc44a179_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE